@prefix : . @prefix chebi1: . @prefix chebi2: . @prefix chebi: . @prefix chebi3: . @prefix rdf: . @prefix owl: . @prefix oboInOwl: . @prefix chebi4: . @prefix xsd: . @prefix rdfs: . @prefix obo: . obo:chebi.owl rdf:type owl:Ontology ; owl:versionIRI ; rdfs:comment "ChEBI subsumes and replaces the Chemical Ontology first" ; rdfs:comment "ChEBI Release version 174" ; rdfs:comment "Author: ChEBI curation team" ; rdfs:comment "developed by Michael Ashburner & Pankaj Jaiswal." ; oboInOwl:saved-by "chebi" ; oboInOwl:date "29:03:2019 11:07" ; oboInOwl:hasOBOFormatVersion "1.2" ; oboInOwl:default-namespace "chebi_ontology" ; rdfs:comment "For any queries contact chebi-help@ebi.ac.uk" . obo:IAO_0000115 rdf:type owl:AnnotationProperty ; rdfs:label "definition" . obo:IAO_0000231 rdf:type owl:AnnotationProperty . obo:IAO_0100001 rdf:type owl:AnnotationProperty . chebi2:BRAND_NAME rdf:type owl:AnnotationProperty ; rdfs:label "BRAND NAME" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:INN rdf:type owl:AnnotationProperty ; rdfs:label "INN" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:IUPAC_NAME rdf:type owl:AnnotationProperty ; rdfs:label "IUPAC NAME" ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . chebi2:1_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Preliminary entries" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi2:2_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Annotated by 3rd party" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi2:3_STAR rdf:type owl:AnnotationProperty ; rdfs:comment "Manually annotated by ChEBI Team" ; rdfs:subPropertyOf oboInOwl:SubsetProperty . chebi:charge rdf:type owl:AnnotationProperty . chebi:formula rdf:type owl:AnnotationProperty . chebi:inchi rdf:type owl:AnnotationProperty . chebi:inchikey rdf:type owl:AnnotationProperty . chebi:mass rdf:type owl:AnnotationProperty . chebi:monoisotopicmass rdf:type owl:AnnotationProperty . chebi:smiles rdf:type owl:AnnotationProperty . oboInOwl:SubsetProperty rdf:type owl:AnnotationProperty ; rdfs:label "subset_property" . oboInOwl:SynonymTypeProperty rdf:type owl:AnnotationProperty ; rdfs:label "synonym_type_property" . oboInOwl:date rdf:type owl:AnnotationProperty . oboInOwl:default-namespace rdf:type owl:AnnotationProperty . oboInOwl:hasAlternativeId rdf:type owl:AnnotationProperty ; rdfs:label "has_alternative_id" . oboInOwl:hasDbXref rdf:type owl:AnnotationProperty ; rdfs:label "database_cross_reference" . oboInOwl:hasExactSynonym rdf:type owl:AnnotationProperty ; rdfs:label "has_exact_synonym" . oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty ; rdfs:label "has_obo_format_version" . oboInOwl:hasOBONamespace rdf:type owl:AnnotationProperty ; rdfs:label "has_obo_namespace" . oboInOwl:hasRelatedSynonym rdf:type owl:AnnotationProperty ; rdfs:label "has_related_synonym" . oboInOwl:hasSynonymType rdf:type owl:AnnotationProperty ; rdfs:label "has_synonym_type" . oboInOwl:id rdf:type owl:AnnotationProperty . oboInOwl:inSubset rdf:type owl:AnnotationProperty ; rdfs:label "in_subset" . oboInOwl:is_cyclic rdf:type owl:AnnotationProperty . oboInOwl:is_transitive rdf:type owl:AnnotationProperty . oboInOwl:saved-by rdf:type owl:AnnotationProperty . oboInOwl:shorthand rdf:type owl:AnnotationProperty ; rdfs:label "shorthand" . rdfs:comment rdf:type owl:AnnotationProperty . rdfs:label rdf:type owl:AnnotationProperty . owl:deprecated rdf:type owl:AnnotationProperty . obo:BFO_0000051 rdf:type owl:ObjectProperty ; rdf:type owl:TransitiveProperty ; oboInOwl:hasDbXref "BFO:0000051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_part" ; oboInOwl:is_cyclic false ; oboInOwl:shorthand "has_part" ; rdfs:label "has part" . obo:RO_0000087 rdf:type owl:ObjectProperty ; oboInOwl:hasDbXref "RO:0000087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_role" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; oboInOwl:shorthand "has_role" ; rdfs:label "has role" . chebi2:has_functional_parent rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_functional_parent" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "has functional parent" . chebi2:has_parent_hydride rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "has_parent_hydride" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "has parent hydride" . chebi2:is_conjugate_acid_of rdf:type owl:ObjectProperty ; owl:inverseOf chebi2:is_conjugate_base_of ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_conjugate_acid_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is conjugate acid of" . chebi2:is_conjugate_base_of rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_conjugate_base_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is conjugate base of" . chebi2:is_enantiomer_of rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_enantiomer_of" ; oboInOwl:is_cyclic true ; oboInOwl:is_transitive false ; rdfs:label "is enantiomer of" . chebi2:is_substituent_group_from rdf:type owl:ObjectProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_substituent_group_from" ; oboInOwl:is_cyclic false ; oboInOwl:is_transitive false ; rdfs:label "is substituent group from" . chebi2:is_tautomer_of rdf:type owl:ObjectProperty ; rdf:type owl:TransitiveProperty ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "is_tautomer_of" ; oboInOwl:is_cyclic true ; rdfs:label "is tautomer of" . obo:CHEBI_1 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18357 ; owl:deprecated true . obo:CHEBI_10 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_133004 ; chebi:charge "0" ; chebi:formula "C36H38N2O6" ; chebi:inchi "InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m0/s1" ; chebi:inchikey "XGEAUXVPBXUBKN-NSOVKSMOSA-N" ; chebi:mass "594.698" ; chebi:monoisotopicmass "594.27299" ; chebi:smiles "COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(O)c(Oc1cc23)c67)ccc5O)cc4" ; oboInOwl:hasDbXref "CAS:21008-67-3" ; oboInOwl:hasDbXref "KEGG:C11141" ; oboInOwl:hasDbXref "KNApSAcK:C00001814" ; oboInOwl:hasExactSynonym "(+)-Atherospermoline" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(+)-Atherospermoline" . _:b0 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:21008-67-3" ; rdfs:label "KEGG COMPOUND" . _:b1 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(+)-Atherospermoline" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16114 . _:b2 rdf:type owl:Restriction . obo:CHEBI_100 rdfs:subClassOf _:b2 . _:b2 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b3 rdf:type owl:Restriction . obo:CHEBI_100 rdfs:subClassOf _:b3 . _:b3 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_6714 . obo:CHEBI_100 obo:IAO_0000115 "The (-)-enantiomer of medicarpin." ; chebi:charge "0" ; chebi:formula "C16H14O4" ; chebi:inchi "InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1" ; chebi:inchikey "NSRJSISNDPOJOP-BBRMVZONSA-N" ; chebi:mass "270.27996" ; chebi:monoisotopicmass "270.08921" ; chebi:smiles "[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(OC)ccc21" ; oboInOwl:hasDbXref "Beilstein:1257009" ; oboInOwl:hasDbXref "CAS:32383-76-9" ; oboInOwl:hasDbXref "KEGG:C10503" ; oboInOwl:hasDbXref "KNApSAcK:C00002547" ; oboInOwl:hasExactSynonym "(-)-Medicarpin" ; oboInOwl:hasExactSynonym "(-)-medicarpin" ; oboInOwl:hasExactSynonym "(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "medicarpin" ; oboInOwl:id "CHEBI:100" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-medicarpin" . _:b4 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b5 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "medicarpin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b6 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1257009" ; rdfs:label "Beilstein" . _:b7 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:32383-76-9" ; rdfs:label "ChemIDplus" . _:b8 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:32383-76-9" ; rdfs:label "KEGG COMPOUND" . _:b9 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(-)-Medicarpin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b10 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(-)-medicarpin" ; oboInOwl:hasDbXref "UniProt" . obo:CHEBI_1000 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16713 ; owl:deprecated true . obo:CHEBI_10000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46955 ; chebi:charge "0" ; chebi:formula "C25H30O5" ; chebi:inchi "InChI=1S/C25H30O5/c1-15(2)6-5-7-16(3)8-9-30-19-11-17-10-18-13-25(4,29)14-21(27)23(18)24(28)22(17)20(26)12-19/h6,8,10-12,26,28-29H,5,7,9,13-14H2,1-4H3/b16-8+" ; chebi:inchikey "KZPCPZBBGCTGCN-LZYBPNLTSA-N" ; chebi:mass "410.504" ; chebi:monoisotopicmass "410.20932" ; chebi:smiles "CC(C)=CCC\\C(C)=C\\COc1cc(O)c2c(O)c3C(=O)CC(C)(O)Cc3cc2c1" ; oboInOwl:hasDbXref "CAS:87605-72-9" ; oboInOwl:hasDbXref "KEGG:C09977" ; oboInOwl:hasDbXref "KNApSAcK:C00003022" ; oboInOwl:hasExactSynonym "Vismione D" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vismione D" . _:b11 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10000 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:87605-72-9" ; rdfs:label "KEGG COMPOUND" . _:b12 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10000 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vismione D" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20+,22+/m1/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-URVUXULASA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11379" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19+/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-QYZOEREBSA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11380" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m0/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-PONJGIIJSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11381" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-SVMVAKDDSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11382" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26+/m0/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-QSAFDGGLSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11383" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-CLKGCZJISA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11384" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17-,21+/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-CEQIKUNHSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11385" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3R,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23-,30-/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-IQLGONJTSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11386" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11386" . obo:CHEBI_100008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15-,18+/m0/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-RLFYNMQTSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@H]([C@@H]([C@@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11387" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-BBWFWOEESA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11388" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_10001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23403 ; chebi:charge "0" ; chebi:formula "C21H24O7" ; chebi:inchi "InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1" ; chebi:inchikey "GVBNSPFBYXGREE-CXWAGAITSA-N" ; chebi:mass "388.412" ; chebi:monoisotopicmass "388.15220" ; chebi:smiles "CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(OC1(C)C)ccc1ccc(=O)oc21" ; oboInOwl:hasDbXref "CAS:477-32-7" ; oboInOwl:hasDbXref "Drug_Central:3649" ; oboInOwl:hasDbXref "KEGG:C09316" ; oboInOwl:hasDbXref "KEGG:D08735" ; oboInOwl:hasDbXref "KNApSAcK:C00002504" ; oboInOwl:hasExactSynonym "Visnadin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Visnadine" ; oboInOwl:hasRelatedSynonym "visnacorin" ; oboInOwl:hasRelatedSynonym "visnamine" ; oboInOwl:id "CHEBI:10001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Visnadin" . _:b13 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:477-32-7" ; rdfs:label "KEGG COMPOUND" . _:b14 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:3649" ; rdfs:label "DrugCentral" . _:b15 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Visnadin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b16 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Visnadine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b17 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "visnacorin" ; oboInOwl:hasDbXref "DrugCentral" . _:b18 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10001 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "visnamine" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_100010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m0/s1" ; chebi:inchikey "IOFIBAZLXDARLU-ISJBWFOZSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11389" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5" ; chebi:inchi "InChI=1S/C23H31FN2O5/c24-17-6-4-16(5-7-17)23(29)26-13-18(27)14-30-15-21-20(26)9-8-19(31-21)12-22(28)25-10-2-1-3-11-25/h4-7,18-21,27H,1-3,8-15H2/t18-,19-,20-,21+/m1/s1" ; chebi:inchikey "HWBWJNULPIZKLY-NCYKPQTJSA-N" ; chebi:mass "434.502" ; chebi:monoisotopicmass "434.22170" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11390" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_100012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H35N5O5" ; chebi:inchi "InChI=1S/C28H35N5O5/c1-33-23-9-8-20(14-26(34)31-15-18-5-3-2-4-6-18)38-25(23)17-37-24-10-7-19(13-21(24)28(33)36)32-27(35)22-16-29-11-12-30-22/h7,10-13,16,18,20,23,25H,2-6,8-9,14-15,17H2,1H3,(H,31,34)(H,32,35)/t20-,23-,25+/m1/s1" ; chebi:inchikey "KUAQBUHJEIVZQC-XRODADMRSA-N" ; chebi:mass "521.609" ; chebi:monoisotopicmass "521.26382" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11391" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22+,24+/m0/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-HYWXBTQMSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11392" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20+/m1/s1" ; chebi:inchikey "LINNEEFEDHMFDS-CKNLXJGOSA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11393" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_100015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+,16+/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-ARFHVFGLSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11394" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16+,17-,18+/m1/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-XDNAFOTISA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11395" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m0/s1" ; chebi:inchikey "NURZYHIHZDJTSB-YRGRZTQCSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-11396" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H41FN4O4S" ; chebi:inchi "InChI=1S/C33H41FN4O4S/c1-33(2,3)43(41)38-22-26-21-28(32(40)35-12-6-13-37-14-17-42-18-15-37)36-31(30(26)29(38)11-16-39)25-9-4-7-23(19-25)24-8-5-10-27(34)20-24/h4-5,7-10,19-21,29,39H,6,11-18,22H2,1-3H3,(H,35,40)/t29-,43?/m0/s1" ; chebi:inchikey "LANWNDDZUXSLHG-APZRGAJHSA-N" ; chebi:mass "608.769" ; chebi:monoisotopicmass "608.28326" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11397" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18-/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-KZNAEPCWSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11398" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_10002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_137443 ; rdfs:subClassOf obo:CHEBI_26188 ; rdfs:subClassOf obo:CHEBI_35618 . _:b19 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b19 . _:b19 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_140378 . _:b20 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b20 . _:b20 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35620 . _:b21 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b21 . _:b21 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35674 . _:b22 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b22 . _:b22 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38231 . _:b23 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b23 . _:b23 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67079 . _:b24 rdf:type owl:Restriction . obo:CHEBI_10002 rdfs:subClassOf _:b24 . _:b24 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10002 obo:IAO_0000115 "A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga." ; chebi:charge "0" ; chebi:formula "C13H10O4" ; chebi:inchi "InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3" ; chebi:inchikey "NZVQLVGOZRELTG-UHFFFAOYSA-N" ; chebi:mass "230.217" ; chebi:monoisotopicmass "230.05791" ; chebi:smiles "C=12C(=C3C(OC=C3)=CC1OC(C)=CC2=O)OC" ; oboInOwl:hasDbXref "CAS:82-57-5" ; oboInOwl:hasDbXref "KEGG:C09049" ; oboInOwl:hasDbXref "KNApSAcK:C00002447" ; oboInOwl:hasDbXref "LINCS:LSM-25873" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPK13110003" ; oboInOwl:hasDbXref "PMID:10705731" ; oboInOwl:hasDbXref "PMID:19188097" ; oboInOwl:hasDbXref "PMID:20036111" ; oboInOwl:hasDbXref "PMID:21069311" ; oboInOwl:hasDbXref "PMID:21116788" ; oboInOwl:hasDbXref "PMID:21165322" ; oboInOwl:hasDbXref "PMID:22085634" ; oboInOwl:hasDbXref "PMID:23096256" ; oboInOwl:hasDbXref "PMID:24069365" ; oboInOwl:hasDbXref "PMID:25111086" ; oboInOwl:hasDbXref "PMID:25504881" ; oboInOwl:hasDbXref "PMID:27004212" ; oboInOwl:hasDbXref "PMID:27936681" ; oboInOwl:hasDbXref "PMID:8605947" ; oboInOwl:hasDbXref "PMID:9175638" ; oboInOwl:hasDbXref "PMID:9487797" ; oboInOwl:hasDbXref "PMID:9888257" ; oboInOwl:hasDbXref "Wikipedia:Visnagin" ; oboInOwl:hasExactSynonym "4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-methoxy-2-methylfuranochromone" ; oboInOwl:hasRelatedSynonym "FUK-724" ; oboInOwl:hasRelatedSynonym "desmethoxykhellin" ; oboInOwl:hasRelatedSynonym "visnagidin" ; oboInOwl:hasRelatedSynonym "visnagine" ; oboInOwl:id "CHEBI:10002" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "visnagin" . _:b25 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82-57-5" ; rdfs:label "ChemIDplus" . _:b26 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82-57-5" ; rdfs:label "KEGG COMPOUND" . _:b27 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPK13110003" ; rdfs:label "LIPID MAPS" . _:b28 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10705731" ; rdfs:label "Europe PMC" . _:b29 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19188097" ; rdfs:label "Europe PMC" . _:b30 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20036111" ; rdfs:label "Europe PMC" . _:b31 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21069311" ; rdfs:label "Europe PMC" . _:b32 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21116788" ; rdfs:label "Europe PMC" . _:b33 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21165322" ; rdfs:label "Europe PMC" . _:b34 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22085634" ; rdfs:label "Europe PMC" . _:b35 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23096256" ; rdfs:label "Europe PMC" . _:b36 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24069365" ; rdfs:label "Europe PMC" . _:b37 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25111086" ; rdfs:label "Europe PMC" . _:b38 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25504881" ; rdfs:label "Europe PMC" . _:b39 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27004212" ; rdfs:label "Europe PMC" . _:b40 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27936681" ; rdfs:label "Europe PMC" . _:b41 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8605947" ; rdfs:label "Europe PMC" . _:b42 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9175638" ; rdfs:label "Europe PMC" . _:b43 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9487797" ; rdfs:label "Europe PMC" . _:b44 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9888257" ; rdfs:label "Europe PMC" . _:b45 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b46 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-methoxy-2-methylfuranochromone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b47 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "FUK-724" ; oboInOwl:hasDbXref "LINCS" . _:b48 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "desmethoxykhellin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b49 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "visnagidin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b50 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10002 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "visnagine" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_100020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20-,21-/m0/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-CZGNIMDHSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-11399" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27-,29-/m1/s1" ; chebi:inchikey "ZIFILFAABSOBLR-WOEHHYBBSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11400" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_100022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "PHEIPYKARIAFSI-FALQBERWSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11401" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26-/m0/s1" ; chebi:inchikey "IOFIBAZLXDARLU-UZINWLIJSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11402" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22+/m1/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-FSSWDIPSSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11403" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m0/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-VKIDHGPPSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11404" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11404" . obo:CHEBI_100026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-UFUIAINPSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11405" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21+,23-/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-UNWVZKJWSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11406" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21+,23+,27-,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-VFVMRXBTSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-11407" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25+,26+,27-/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YAOOYPAMSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11408" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38012 ; rdfs:subClassOf obo:CHEBI_47779 . _:b51 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b51 . _:b51 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_65028 . _:b52 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b52 . _:b52 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b53 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b53 . _:b53 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33282 . _:b54 rdf:type owl:Restriction . obo:CHEBI_10003 rdfs:subClassOf _:b54 . _:b54 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . obo:CHEBI_10003 obo:IAO_0000115 "An aminoglycoside sulfate salt resulting from the reaction of ribostamycin with sulfuric acid." ; chebi:charge "0" ; chebi:formula "C17H34N4O10.(H2O4S)n" ; oboInOwl:hasDbXref "CAS:53797-35-6" ; oboInOwl:hasDbXref "DrugBank:DB03615" ; oboInOwl:hasDbXref "KEGG:D02209" ; oboInOwl:hasDbXref "MetaCyc:CPD-14143" ; oboInOwl:hasDbXref "Reaxys:8820400" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Landamycine" ; oboInOwl:hasRelatedSynonym "Ribomycine" ; oboInOwl:hasRelatedSynonym "SF 733 antibioic sulfate" ; oboInOwl:hasRelatedSynonym "Vistamycin" ; oboInOwl:hasRelatedSynonym "ribostamycin A sulfate" ; oboInOwl:id "CHEBI:10003" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ribostamycin sulfate" . _:b55 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:53797-35-6" ; rdfs:label "ChemIDplus" . _:b56 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:53797-35-6" ; rdfs:label "KEGG DRUG" . _:b57 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:8820400" ; rdfs:label "Reaxys" . _:b58 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Landamycine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b59 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Ribomycine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b60 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "SF 733 antibioic sulfate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b61 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Vistamycin" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b62 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10003 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ribostamycin A sulfate" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-HYFFOGBASA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11409" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15-,16-,17+/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-LUKYLMHMSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11410" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_100032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H23FN2O3" ; chebi:inchi "InChI=1S/C25H23FN2O3/c26-21-3-1-2-18(14-21)5-4-17-6-8-19(9-7-17)24-22(15-27)28(23(24)16-29)25(30)20-10-12-31-13-11-20/h1-3,6-9,14,20,22-24,29H,10-13,16H2/t22-,23+,24-/m1/s1" ; chebi:inchikey "HZJTYSQKFIQHQZ-TZRRMPRUSA-N" ; chebi:mass "418.461" ; chebi:monoisotopicmass "418.16927" ; chebi:smiles "C1COCCC1C(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11411" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-FWSIMYTDSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11412" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12+,13-/m0/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-UHTWSYAYSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-11413" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22+,30+/m0/s1" ; chebi:inchikey "VTMUWCMJICVSQX-IABYTQIASA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11414" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11414" . obo:CHEBI_100036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17+,22-/m0/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-JKSBSHDWSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-11415" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22-/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-XCGNWRKASA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11416" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35N3O4" ; chebi:inchi "InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-16-25(14-15-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21+,28-/m0/s1" ; chebi:inchikey "HAJBOXZNCGYLAF-GTNJKRJXSA-N" ; chebi:mass "501.618" ; chebi:monoisotopicmass "501.26276" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11417" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_100039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26+/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-JIMJEQGWSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11418" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10004 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_33229 ; owl:deprecated true . obo:CHEBI_100040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-2-27-21(31)19-16(13-30)18-12-29-17(20(19)28(18)11-10-23(24,25)26)9-8-15(22(29)32)14-6-4-3-5-7-14/h3-9,16,18-20,30H,2,10-13H2,1H3,(H,27,31)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "KIAQQOUXENLKMW-LMCOJAPRSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11419" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11419" . obo:CHEBI_100041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-KHCICDEESA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11420" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_100042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15+,19+/m1/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-VCBZYWHSSA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11421" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_100043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18-,20-/m0/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-QRFRQXIXSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11422" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18-,19+/m0/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-GBESFXJTSA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11423" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_100045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29FN2O7S" ; chebi:inchi "InChI=1S/C20H29FN2O7S/c1-28-9-8-22-20(25)10-15-6-7-17-18(30-15)13-29-12-14(24)11-23(17)31(26,27)19-5-3-2-4-16(19)21/h2-5,14-15,17-18,24H,6-13H2,1H3,(H,22,25)/t14-,15+,17-,18+/m0/s1" ; chebi:inchikey "ZIIKQONHXRNGRF-CIRFHOKZSA-N" ; chebi:mass "460.519" ; chebi:monoisotopicmass "460.16795" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11424" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24-,25-,26+/m1/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-POTDNYQPSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-11425" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18+/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KURKYZTESA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-11426" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_100048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b63 rdf:type owl:Restriction . obo:CHEBI_100048 rdfs:subClassOf _:b63 . _:b63 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100048 chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-12-15-16-11-24-17(6-3-7-18(24)26)20(22-16)19(15)21(27)23-9-8-13-4-1-2-5-14(13)10-23/h1-7,15-16,19-20,22,25H,8-12H2/t15-,16-,19+,20+/m0/s1" ; chebi:inchikey "WCVQZBWBNHVCOB-XAMWDVODSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=O)C=CC=C5[C@H]3N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11427" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11427" . obo:CHEBI_100049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21-,27+/m0/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-NOMHHCBYSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11428" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20-/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-QRFRQXIXSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11429" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN3O3" ; chebi:inchi "InChI=1S/C27H28FN3O3/c1-16(17-8-4-3-5-9-17)29-26(33)24-20(15-32)23-14-31-22(25(24)30(23)2)13-12-19(27(31)34)18-10-6-7-11-21(18)28/h3-13,16,20,23-25,32H,14-15H2,1-2H3,(H,29,33)/t16-,20-,23-,24+,25+/m1/s1" ; chebi:inchikey "XOPHINQZQCNQKH-XDPKZGBUSA-N" ; chebi:mass "461.529" ; chebi:monoisotopicmass "461.21147" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11430" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11430" . obo:CHEBI_100052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16+/m1/s1" ; chebi:inchikey "QWCXAENNPFGWBU-YCPHGPKFSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-11431" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_100053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22+/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-MCFFVMPBSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11432" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25-,27-/m0/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-OGMXRKNYSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11433" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m1/s1" ; chebi:inchikey "KRBOYVJOHNAAFC-LIIBOVGXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11434" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-OZBGYUHNSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11435" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14-,20-/m0/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-YRVVQQKDSA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11436" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15-,19-/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-SPYBWZPUSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11437" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_100059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22-,23+/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-BAMDZGJYSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11438" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_10006 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28911 ; owl:deprecated true . obo:CHEBI_100060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24-,25+/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-HVHOJJEHSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11439" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-DRSNIGMVSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11440" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_100062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-DKGMKSHISA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11441" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11441" . obo:CHEBI_100063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22+/m1/s1" ; chebi:inchikey "LLNFNSHBDLACGS-FGSXEWAUSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11442" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19+/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-JENIJYKNSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11443" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_100065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "HYQMBLXITOJPAN-JZEPBHRJSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11444" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H30N4O4" ; chebi:inchi "InChI=1S/C28H30N4O4/c33-18-22-24-17-32-23(9-8-21(27(32)34)20-6-2-1-3-7-20)26(31(24)16-19-5-4-10-29-15-19)25(22)28(35)30-11-13-36-14-12-30/h1-10,15,22,24-26,33H,11-14,16-18H2/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "UHLPFNSCOMKACG-ADXHGGABSA-N" ; chebi:mass "486.563" ; chebi:monoisotopicmass "486.22671" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3CC6=CN=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11445" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11445" . obo:CHEBI_100067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-WJONJSRFSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-11446" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22-,23+/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-BAMDZGJYSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11447" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O3" ; chebi:inchi "InChI=1S/C25H24FN3O3/c26-17-8-4-7-16(11-17)18-9-10-21-23-22(24(31)27-12-15-5-2-1-3-6-15)19(14-30)20(28-23)13-29(21)25(18)32/h1-11,19-20,22-23,28,30H,12-14H2,(H,27,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "VSJWYLDRVGFTPJ-JFJDKTSWSA-N" ; chebi:mass "433.476" ; chebi:monoisotopicmass "433.18017" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2)C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11448" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11448" . obo:CHEBI_10007 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28934 ; owl:deprecated true . obo:CHEBI_100070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H39N3O4S" ; chebi:inchi "InChI=1S/C32H39N3O4S/c1-32(2,3)40(38)35-21-24-20-26(31(37)34-16-8-5-9-17-34)33-30(29(24)27(35)15-18-36)23-12-10-11-22(19-23)25-13-6-7-14-28(25)39-4/h6-7,10-14,19-20,27,36H,5,8-9,15-18,21H2,1-4H3/t27-,40-/m0/s1" ; chebi:inchikey "FUQOGNZPPRJWQM-PDBZVODSSA-N" ; chebi:mass "561.737" ; chebi:monoisotopicmass "561.26613" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11449" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_100071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16-,17+/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-ZACQAIPSSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11450" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_100072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18-,19-/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-GUDVDZBRSA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11451" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23+,30+/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-HFZPWKHCSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11452" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11452" . obo:CHEBI_100074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19+,21+/m0/s1" ; chebi:inchikey "ASLPZONUTGKWLH-QKNQBKEWSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11453" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14+,18-/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-QWQRMKEZSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11454" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27+,29+/m0/s1" ; chebi:inchikey "AJAMEWYBAUQISK-RMBZFECLSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11455" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22-,27-/m0/s1" ; chebi:inchikey "QLIZXZIZGKFZES-BERHBOFZSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11456" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11456" . obo:CHEBI_100078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-UCTCLUAXSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11457" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11457" . obo:CHEBI_100079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25+,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-CWWSAELMSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11458" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10008 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28940 ; owl:deprecated true . obo:CHEBI_100080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20+,22-/m1/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-BJKXHWDHSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-11459" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13+,14+/m0/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-BFHYXJOUSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@H]([C@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11460" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H29F3N4O5" ; chebi:inchi "InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22+/m1/s1" ; chebi:inchikey "PPTVZYJXLGYDRY-CBQOVEMMSA-N" ; chebi:mass "534.528" ; chebi:monoisotopicmass "534.20900" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC(F)(F)F)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11461" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_100083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20-,22-,24+/m1/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-QSOCRCLWSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11462" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_100084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17-,21-/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-FIKGOQFSSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11463" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_100085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28-/m1/s1" ; chebi:inchikey "HSJIFMVKIOATEF-UMQWNRPGSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11464" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11464" . obo:CHEBI_100086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19+/m0/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-YZVOILCLSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11465" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20-,22-/m1/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-SQKDIAQBSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-11466" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22+/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-NJNPRVFISA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11467" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24-/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-DRMXPCRNSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-11468" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10009 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28384 ; owl:deprecated true . obo:CHEBI_100090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21+,23+,24-/m1/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-AWAHEQQVSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11469" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17+,21-/m1/s1" ; chebi:inchikey "VNTQRTFIXZLISU-LLGFUMIMSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11470" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20-/m0/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-UFYCRDLUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11471" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_100093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H28N4O4" ; chebi:inchi "InChI=1S/C28H28N4O4/c1-17(34)32-24-15-31-23(9-8-21(27(31)35)19-7-4-11-29-13-19)26(32)25(22(24)16-33)28(36)30-12-10-18-5-2-3-6-20(18)14-30/h2-9,11,13,22,24-26,33H,10,12,14-16H2,1H3/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "KMPCXPGJDHNPDW-ADXHGGABSA-N" ; chebi:mass "484.547" ; chebi:monoisotopicmass "484.21106" ; chebi:smiles "CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11472" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11472" . obo:CHEBI_100094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "VOTKEIORIBNPMA-SBZVUBOMSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11473" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11473" . obo:CHEBI_100095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17-,21+/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-XGHQBKJUSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11474" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_100096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20-,21+/m1/s1" ; chebi:inchikey "QYROUQDLUMQXKE-NRSPTQNISA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11475" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35FN2O6S" ; chebi:inchi "InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20-,22-,23+/m1/s1" ; chebi:inchikey "CDWYTZLAFHIRLQ-PRTQVNTJSA-N" ; chebi:mass "498.610" ; chebi:monoisotopicmass "498.21999" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11476" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22-,23+/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-PRTQVNTJSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11477" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15+,19-/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-ZRGWGRIASA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11478" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_1001 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17001 ; owl:deprecated true . obo:CHEBI_10010 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28371 ; owl:deprecated true . obo:CHEBI_100100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O4" ; chebi:inchi "InChI=1S/C25H31FN4O4/c1-15(32)30-22-19(20(14-31)23(30)24(33)27-10-5-11-28(2)3)13-29-21(22)9-8-18(25(29)34)16-6-4-7-17(26)12-16/h4,6-9,12,19-20,22-23,31H,5,10-11,13-14H2,1-3H3,(H,27,33)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "KVNOQKWAHHZEJM-RLBLXZPPSA-N" ; chebi:mass "470.537" ; chebi:monoisotopicmass "470.23293" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]([C@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11479" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-IZZBFERCSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11480" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "CYYYAXPAVULRAL-UQWBFEFOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11481" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15-,18+/m1/s1" ; chebi:inchikey "YFRMSEXFMHDWES-FSZRXZPDSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11482" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O4S" ; chebi:inchi "InChI=1S/C29H34FN3O4S/c1-29(2,3)38(36)33-18-22-17-24(28(35)31-12-14-37-4)32-27(26(22)25(33)11-13-34)21-9-5-7-19(15-21)20-8-6-10-23(30)16-20/h5-10,15-17,25,34H,11-14,18H2,1-4H3,(H,31,35)/t25-,38-/m1/s1" ; chebi:inchikey "RYACMGXBLHGDBX-GWEXNCIJSA-N" ; chebi:mass "539.664" ; chebi:monoisotopicmass "539.22541" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-11483" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24-,30-/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-PUMORYBASA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11484" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11484" . obo:CHEBI_100106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27+/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-DXBVXKBHSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-11485" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C19H31N3O5" ; chebi:inchi "InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16+,17-/m0/s1" ; chebi:inchikey "RNIDAHWWXILMTD-BBWFWOEESA-N" ; chebi:mass "381.467" ; chebi:monoisotopicmass "381.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-11486" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19+,21+/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-LMNJBCLMSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11487" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_100109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H28FN3O5" ; chebi:inchi "InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20-,22-/m1/s1" ; chebi:inchikey "VIDGDBZXEWMIQL-SYYKKAFVSA-N" ; chebi:mass "469.506" ; chebi:monoisotopicmass "469.20130" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11488" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide" . obo:CHEBI_10011 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28433 ; owl:deprecated true . obo:CHEBI_100110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c28-14-18-17-13-26-19(7-4-8-20(26)29)22(17)27(21(30)11-15-9-10-15)23(18)24(31)25-12-16-5-2-1-3-6-16/h4,7-8,15-18,22-23,28H,1-3,5-6,9-14H2,(H,25,31)/t17-,18-,22+,23-/m0/s1" ; chebi:inchikey "ZDTYRDGQWDVLBB-JRSMBCBASA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "C1CCC(CC1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2C(=O)CC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11489" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclohexylmethyl)-1-(2-cyclopropyl-1-oxoethyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "BZAPUCLBFKATKI-JXQFQVJHSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11490" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11490" . obo:CHEBI_100112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21-,22+/m1/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-VSKRKVRLSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11491" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-UMEGOILYSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11492" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11492" . obo:CHEBI_100114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-XLNZFTOWSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11493" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11493" . obo:CHEBI_100115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23-,29-/m1/s1" ; chebi:inchikey "INXMEFHWZGRULI-VDWGHMIBSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11494" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11494" . obo:CHEBI_100116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m0/s1" ; chebi:inchikey "AGIZNZOEGDEWTD-TVYQXRCNSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11495" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-NXOAAHMSSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11496" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c26-25(27,28)8-13-31-20-14-32-19(5-4-17(23(32)34)16-6-9-29-10-7-16)22(31)21(18(20)15-33)24(35)30-11-2-1-3-12-30/h4-7,9-10,18,20-22,33H,1-3,8,11-15H2/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "DKHQAGHBVQSALK-VXSCBNMQSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11497" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11497" . obo:CHEBI_100119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C30H31N3O3" ; chebi:inchi "InChI=1S/C30H31N3O3/c1-32-26-17-33-25(14-13-20(30(33)36)12-11-19-7-3-2-4-8-19)28(32)27(24(26)18-34)29(35)31-23-15-21-9-5-6-10-22(21)16-23/h2-14,23-24,26-28,34H,15-18H2,1H3,(H,31,35)/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "LNRZCHBKBRYYMV-GDWZEYGFSA-N" ; chebi:mass "481.587" ; chebi:monoisotopicmass "481.23654" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11498" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11498" . obo:CHEBI_10012 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16954 ; owl:deprecated true . obo:CHEBI_100120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "BZAPUCLBFKATKI-YDIMBITNSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11499" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11499" . obo:CHEBI_100121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O4" ; chebi:inchi "InChI=1S/C28H37FN4O4/c1-18-14-33(15-20-9-10-20)19(2)17-37-25-13-21(30-28(35)31-24-8-6-5-7-23(24)29)11-12-22(25)27(34)32(3)16-26(18)36-4/h5-8,11-13,18-20,26H,9-10,14-17H2,1-4H3,(H2,30,31,35)/t18-,19+,26+/m1/s1" ; chebi:inchikey "SXLNUQFFJOVPKX-MVYHEMRASA-N" ; chebi:mass "512.617" ; chebi:monoisotopicmass "512.27988" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11500" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_100122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29+/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-AFKLWXAFSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11501" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11501" . obo:CHEBI_100123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H27N3O4" ; chebi:inchi "InChI=1S/C20H27N3O4/c1-2-16(25)23-18-13(11-22-15(18)7-6-8-17(22)26)14(12-24)19(23)20(27)21-9-4-3-5-10-21/h6-8,13-14,18-19,24H,2-5,9-12H2,1H3/t13-,14-,18+,19-/m0/s1" ; chebi:inchikey "DUBNWEBJLMWVKU-QAMTZSDWSA-N" ; chebi:mass "373.447" ; chebi:monoisotopicmass "373.20016" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)N4CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11502" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23-/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-UNWVZKJWSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11503" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_100125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37N3O5S" ; chebi:inchi "InChI=1S/C31H37N3O5S/c1-31(2,3)40(37)34-20-23-19-25(30(36)33-13-16-39-17-14-33)32-29(28(23)26(34)12-15-35)22-9-7-8-21(18-22)24-10-5-6-11-27(24)38-4/h5-11,18-19,26,35H,12-17,20H2,1-4H3/t26-,40-/m1/s1" ; chebi:inchikey "BNSXJPHXNABYAG-ZCQGCHJCSA-N" ; chebi:mass "563.710" ; chebi:monoisotopicmass "563.24539" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11504" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone" . obo:CHEBI_100126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20-,22+,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-HYJVDKBFSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11505" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m1/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-YTZAWJCFSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11506" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "NKPFHNDONDWVBL-QRVBRYPASA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11507" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-DPZBCOQUSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-11508" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10013 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16631 ; owl:deprecated true . obo:CHEBI_100130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-ZWVMGRIOSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-11509" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23+/m1/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-DGGJZMOXSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11510" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21-/m1/s1" ; chebi:inchikey "SBFIZHFYYISGJV-TYCQWZJGSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11511" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_100133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-UETOGOEVSA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11512" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11512" . obo:CHEBI_100134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25+,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-CBYRCLPRSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11513" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H28N4O3" ; chebi:inchi "InChI=1S/C23H28N4O3/c1-25(2)23(30)20-17(13-28)19-12-27-18(21(20)26(19)11-14-3-4-14)6-5-16(22(27)29)15-7-9-24-10-8-15/h5-10,14,17,19-21,28H,3-4,11-13H2,1-2H3/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "JAONLNNFEYMMMA-PBASOCQRSA-N" ; chebi:mass "408.494" ; chebi:monoisotopicmass "408.21614" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1N2CC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11514" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11514" . obo:CHEBI_100136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18-,24+/m1/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-GGUMNFRJSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11515" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H28FN3O4" ; chebi:inchi "InChI=1S/C26H28FN3O4/c1-28(2)26(34)23-19(14-31)18-13-29-21(12-11-16(24(29)32)15-7-3-4-8-15)22(18)30(23)25(33)17-9-5-6-10-20(17)27/h5-7,9-12,18-19,22-23,31H,3-4,8,13-14H2,1-2H3/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "QRPMBXIBVHHSCR-LBVMUVSTSA-N" ; chebi:mass "465.518" ; chebi:monoisotopicmass "465.20638" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11516" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21+,22-,23+/m1/s1" ; chebi:inchikey "SVQJPVUULHSFBY-ACESQOTJSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11517" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-15(2)29-27(35)31-23-20(21(14-32)24(31)25(33)28-12-16-4-5-16)13-30-22(23)11-10-19(26(30)34)17-6-8-18(36-3)9-7-17/h6-11,15-16,20-21,23-24,32H,4-5,12-14H2,1-3H3,(H,28,33)(H,29,35)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "KGEBAFQSPNEEIE-CJTFWIGWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CC(C)NC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@H]([C@@H]1C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11518" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_10014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23315 ; chebi:charge "0" ; chebi:formula "C43H52N4O5" ; chebi:inchi "InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8-/t23-,24-,28?,31+,35+,37?,40-,43+/m0/s1" ; chebi:inchikey "VCMIRXRRQJNZJT-QGDNWDNJSA-N" ; chebi:mass "704.898" ; chebi:monoisotopicmass "704.39377" ; chebi:smiles "CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7C([C@@H](Cc8c6[nH]c6ccccc86)N(C)C\\C7=C\\C)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC" ; oboInOwl:hasDbXref "CAS:3371-85-5" ; oboInOwl:hasDbXref "Drug_Central:5100" ; oboInOwl:hasDbXref "KEGG:C09252" ; oboInOwl:hasDbXref "KNApSAcK:C00001785" ; oboInOwl:hasExactSynonym "Voacamine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "voacanginine" ; oboInOwl:hasRelatedSynonym "vocamine" ; oboInOwl:id "CHEBI:10014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Voacamine" . _:b64 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10014 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:3371-85-5" ; rdfs:label "KEGG COMPOUND" . _:b65 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10014 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:5100" ; rdfs:label "DrugCentral" . _:b66 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10014 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Voacamine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b67 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10014 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "voacanginine" ; oboInOwl:hasDbXref "DrugCentral" . _:b68 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10014 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "vocamine" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_100140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28+/m1/s1" ; chebi:inchikey "VUGFGKFGZUURHO-CJYOKPGZSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11519" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11519" . obo:CHEBI_100141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m1/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-WYEJZRMESA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11520" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11520" . obo:CHEBI_100142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C18H18N2O2" ; chebi:inchi "InChI=1S/C18H18N2O2/c1-22-17-5-3-2-4-14(17)12-6-8-13(9-7-12)18-15(10-19)20-16(18)11-21/h2-9,15-16,18,20-21H,11H2,1H3/t15-,16+,18-/m0/s1" ; chebi:inchikey "BGJLKNVJWQWPQD-JZXOWHBKSA-N" ; chebi:mass "294.348" ; chebi:monoisotopicmass "294.13683" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11521" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24-/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-XVTZWQNCSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11522" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_100144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m0/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-ASHZAFPQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11523" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11523" . obo:CHEBI_100145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25+/m0/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-UMXIMWEHSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11524" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_100146 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_7731 ; owl:deprecated true . obo:CHEBI_100147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; rdfs:subClassOf obo:CHEBI_73537 ; rdfs:subClassOf obo:CHEBI_86324 . _:b69 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b69 . _:b69 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b70 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b70 . _:b70 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b71 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b71 . _:b71 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b72 rdf:type owl:Restriction . obo:CHEBI_100147 rdfs:subClassOf _:b72 . _:b72 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_62070 . obo:CHEBI_100147 obo:IAO_0000115 "A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species." ; chebi:charge "0" ; chebi:formula "C12H12N2O3" ; chebi:inchi "InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)" ; chebi:inchikey "MHWLWQUZZRMNGJ-UHFFFAOYSA-N" ; chebi:mass "232.23530" ; chebi:monoisotopicmass "232.08479" ; chebi:smiles "CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12" ; oboInOwl:hasAlternativeId "CHEBI:7456" ; oboInOwl:hasDbXref "CAS:389-08-2" ; oboInOwl:hasDbXref "DrugBank:DB00779" ; oboInOwl:hasDbXref "Drug_Central:1875" ; oboInOwl:hasDbXref "KEGG:C05079" ; oboInOwl:hasDbXref "KEGG:D00183" ; oboInOwl:hasDbXref "LINCS:LSM-5590" ; oboInOwl:hasDbXref "PDBeChem:NIX" ; oboInOwl:hasDbXref "PMID:11321869" ; oboInOwl:hasDbXref "PMID:12002106" ; oboInOwl:hasDbXref "PMID:12399485" ; oboInOwl:hasDbXref "PMID:12702698" ; oboInOwl:hasDbXref "PMID:14107587" ; oboInOwl:hasDbXref "PMID:16107187" ; oboInOwl:hasDbXref "PMID:16423473" ; oboInOwl:hasDbXref "PMID:16667857" ; oboInOwl:hasDbXref "PMID:16803589" ; oboInOwl:hasDbXref "PMID:17132068" ; oboInOwl:hasDbXref "PMID:17631104" ; oboInOwl:hasDbXref "PMID:18788798" ; oboInOwl:hasDbXref "PMID:19071706" ; oboInOwl:hasDbXref "PMID:28166217" ; oboInOwl:hasDbXref "Patent:BE612258" ; oboInOwl:hasDbXref "Patent:US3590036" ; oboInOwl:hasDbXref "Reaxys:750515" ; oboInOwl:hasDbXref "VSDB:1880" ; oboInOwl:hasDbXref "Wikipedia:Nalidixic_Acid" ; oboInOwl:hasExactSynonym "1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasExactSynonym "NALIDIXIC ACID" ; oboInOwl:hasExactSynonym "Nalidixic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure" ; oboInOwl:hasRelatedSynonym "1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one" ; oboInOwl:hasRelatedSynonym "acide nalidixique" ; oboInOwl:hasRelatedSynonym "acido nalidixico" ; oboInOwl:hasRelatedSynonym "acidum nalidixicum" ; oboInOwl:hasRelatedSynonym "nalidixic acid" ; oboInOwl:id "CHEBI:100147" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "nalidixic acid" . _:b73 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one" ; oboInOwl:hasDbXref "ChemIDplus" . _:b74 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "acide nalidixique" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b75 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "acido nalidixico" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b76 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "acidum nalidixicum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b77 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "nalidixic acid" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b78 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:389-08-2" ; rdfs:label "ChemIDplus" . _:b79 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:389-08-2" ; rdfs:label "KEGG COMPOUND" . _:b80 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1875" ; rdfs:label "DrugCentral" . _:b81 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11321869" ; rdfs:label "Europe PMC" . _:b82 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12002106" ; rdfs:label "Europe PMC" . _:b83 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12399485" ; rdfs:label "Europe PMC" . _:b84 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12702698" ; rdfs:label "Europe PMC" . _:b85 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14107587" ; rdfs:label "Europe PMC" . _:b86 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16107187" ; rdfs:label "Europe PMC" . _:b87 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16423473" ; rdfs:label "Europe PMC" . _:b88 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16667857" ; rdfs:label "Europe PMC" . _:b89 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16803589" ; rdfs:label "Europe PMC" . _:b90 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17132068" ; rdfs:label "Europe PMC" . _:b91 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17631104" ; rdfs:label "Europe PMC" . _:b92 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18788798" ; rdfs:label "Europe PMC" . _:b93 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19071706" ; rdfs:label "Europe PMC" . _:b94 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:28166217" ; rdfs:label "Europe PMC" . _:b95 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:750515" ; rdfs:label "Reaxys" . _:b96 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b97 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "NALIDIXIC ACID" ; oboInOwl:hasDbXref "ChEMBL" . _:b98 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Nalidixic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b99 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b100 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure" ; oboInOwl:hasDbXref "ChemIDplus" . _:b101 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b102 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b103 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100147 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_100148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27093 . _:b104 rdf:type owl:Restriction . obo:CHEBI_100148 rdfs:subClassOf _:b104 . _:b104 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_87985 . obo:CHEBI_100148 obo:IAO_0000115 "A acid that is propane in which three carboxy groups are attached at the C-1 position." ; chebi:charge "0" ; chebi:formula "C6H8O6" ; chebi:inchi "InChI=1S/C6H8O6/c1-2-6(3(7)8,4(9)10)5(11)12/h2H2,1H3,(H,7,8)(H,9,10)(H,11,12)" ; chebi:inchikey "CEGRHPCDLKAHJD-UHFFFAOYSA-N" ; chebi:mass "176.124" ; chebi:monoisotopicmass "176.03209" ; chebi:smiles "CCC(C(=O)O)(C(=O)O)C(=O)O" ; oboInOwl:hasDbXref "Reaxys:13832806" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "propane-1,1,1-tricarboxylic acid" ; oboInOwl:id "CHEBI:100148" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,1,1-propanetricarboxylic acid" . _:b105 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100148 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:13832806" ; rdfs:label "Reaxys" . _:b106 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100148 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "propane-1,1,1-tricarboxylic acid" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H36N4O4S" ; chebi:inchi "InChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-25-19-27(32(39)35-20-22-12-15-34-16-13-22)36-31(30(25)28(37)14-17-38)24-9-7-8-23(18-24)26-10-5-6-11-29(26)41-4/h5-13,15-16,18-19,28,38H,14,17,20-21H2,1-4H3,(H,35,39)/t28-,42-/m0/s1" ; chebi:inchikey "VTKOTAQLGFRVGB-PJVIOAIDSA-N" ; chebi:mass "584.731" ; chebi:monoisotopicmass "584.24573" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11526" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_38163 ; rdfs:subClassOf obo:CHEBI_38958 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_76224 . _:b107 rdf:type owl:Restriction . obo:CHEBI_10015 rdfs:subClassOf _:b107 . _:b107 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22587 . _:b108 rdf:type owl:Restriction . obo:CHEBI_10015 rdfs:subClassOf _:b108 . _:b108 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36372 . obo:CHEBI_10015 obo:IAO_0000115 "An indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position." ; chebi:charge "0" ; chebi:formula "C21H24N2O3" ; chebi:inchi "InChI=1S/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19-/m0/s1" ; chebi:inchikey "TYPMTMPLTVSOBU-XJHWFDBESA-N" ; chebi:mass "352.42690" ; chebi:monoisotopicmass "352.17869" ; chebi:smiles "COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\\C(CN2C)=C/C" ; oboInOwl:hasDbXref "Beilstein:95955" ; oboInOwl:hasDbXref "CAS:2134-83-0" ; oboInOwl:hasDbXref "KEGG:C09253" ; oboInOwl:hasDbXref "KNApSAcK:C00001786" ; oboInOwl:hasDbXref "PMID:17265301" ; oboInOwl:hasDbXref "PMID:17404903" ; oboInOwl:hasDbXref "PMID:19525111" ; oboInOwl:hasDbXref "PMID:21353756" ; oboInOwl:hasDbXref "PMID:4021514" ; oboInOwl:hasDbXref "PMID:5654925" ; oboInOwl:hasDbXref "Patent:US2007232588" ; oboInOwl:hasExactSynonym "Vobasine" ; oboInOwl:hasExactSynonym "methyl 3-oxovobasan-17-oate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3-oxovobasan-17-oic acid, methyl ester" ; oboInOwl:id "CHEBI:10015" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "vobasine" . _:b109 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:95955" ; rdfs:label "Beilstein" . _:b110 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2134-83-0" ; rdfs:label "ChemIDplus" . _:b111 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2134-83-0" ; rdfs:label "KEGG COMPOUND" . _:b112 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17265301" ; rdfs:label "Europe PMC" . _:b113 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17404903" ; rdfs:label "Europe PMC" . _:b114 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19525111" ; rdfs:label "Europe PMC" . _:b115 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21353756" ; rdfs:label "Europe PMC" . _:b116 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:4021514" ; rdfs:label "Europe PMC" . _:b117 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:5654925" ; rdfs:label "Europe PMC" . _:b118 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vobasine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b119 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "methyl 3-oxovobasan-17-oate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b120 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-oxovobasan-17-oic acid, methyl ester" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_100150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-YPCDYVTLSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11527" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_100151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21-/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-ZRCAFCQKSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11528" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_100152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19-,26+/m1/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-UDCNLSRBSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasDbXref "LINCS:LSM-11529" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m0/s1" ; chebi:inchikey "UIWWHFNWICLZIF-QQMNAOGKSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11530" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C26H32N4O6" ; chebi:inchi "InChI=1S/C26H32N4O6/c1-15-11-20(29-36-15)25(32)28-17-7-10-22-19(12-17)26(33)30(2)21-9-8-18(35-23(21)14-34-22)13-24(31)27-16-5-3-4-6-16/h7,10-12,16,18,21,23H,3-6,8-9,13-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,21-,23+/m0/s1" ; chebi:inchikey "OWLQYYZEQLHDAT-AVCGJXAMSA-N" ; chebi:mass "496.556" ; chebi:monoisotopicmass "496.23218" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NC5CCCC5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11531" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21+,22-,23+/m0/s1" ; chebi:inchikey "AMMWEOQELITDAS-GSPCLOLRSA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3)O)O[C@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11532" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17-,21+/m1/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-CEQIKUNHSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11533" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_100157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17+,20+,21-/m0/s1" ; chebi:inchikey "JLPSQBARJGYMKN-NLEAXPPASA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11534" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23+/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-HKARXFIJSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11535" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24+,26-/m1/s1" ; chebi:inchikey "UVPONYOZSFJNDG-ZHRNDHIYSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11536" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_27288 ; rdfs:subClassOf obo:CHEBI_33599 ; rdfs:subClassOf obo:CHEBI_38481 ; rdfs:subClassOf obo:CHEBI_38482 ; rdfs:subClassOf obo:CHEBI_73080 ; chebi:charge "0" ; chebi:formula "C43H50N4O6" ; chebi:inchi "InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1" ; chebi:inchikey "IIMPGJMHQMBXKL-OPDPKHDKSA-N" ; chebi:mass "718.88046" ; chebi:monoisotopicmass "718.37304" ; chebi:smiles "[H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O" ; oboInOwl:hasDbXref "Beilstein:4641215" ; oboInOwl:hasDbXref "Beilstein:77486" ; oboInOwl:hasDbXref "CAS:19772-79-3" ; oboInOwl:hasDbXref "KEGG:C09254" ; oboInOwl:hasDbXref "KNApSAcK:C00001787" ; oboInOwl:hasExactSynonym "vobtusine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10016" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "vobtusine" . _:b121 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10016 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:4641215" ; rdfs:label "Beilstein" . _:b122 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10016 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:77486" ; rdfs:label "Beilstein" . _:b123 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10016 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:19772-79-3" ; rdfs:label "ChemIDplus" . _:b124 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10016 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:19772-79-3" ; rdfs:label "KEGG COMPOUND" . _:b125 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10016 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "vobtusine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H32N6O3" ; chebi:inchi "InChI=1S/C25H32N6O3/c1-28-6-8-29(9-7-28)25(34)23-20(14-32)19-13-30-21(22(19)31(23)12-16-2-3-16)5-4-18(24(30)33)17-10-26-15-27-11-17/h4-5,10-11,15-16,19-20,22-23,32H,2-3,6-9,12-14H2,1H3/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "NKEKVCULWNFMKR-RLBLXZPPSA-N" ; chebi:mass "464.561" ; chebi:monoisotopicmass "464.25359" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CN=C5)[C@@H]3N2CC6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11537" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17-,19-/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-IEZWGBDMSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11538" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19-,26-/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-DGUDUIIESA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasDbXref "LINCS:LSM-11539" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-DMPWYTOCSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11540" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16-,17-/m0/s1" ; chebi:inchikey "COUPNDMEVDHIHS-ULQDDVLXSA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11541" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_100165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-DFIYOIEZSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11542" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11542" . obo:CHEBI_100166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-WUHHYYHUSA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11543" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H30N4O5S" ; chebi:inchi "InChI=1S/C25H30N4O5S/c1-35(33,34)29-22-19(14-28-21(22)7-6-18(25(28)32)17-4-2-3-5-17)20(15-30)23(29)24(31)27-13-10-16-8-11-26-12-9-16/h4,6-9,11-12,19-20,22-23,30H,2-3,5,10,13-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "BCVWPOWNMNUOMW-RLBLXZPPSA-N" ; chebi:mass "498.597" ; chebi:monoisotopicmass "498.19369" ; chebi:smiles "CS(=O)(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NCCC5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11544" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-IECBHUPTSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11545" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m0/s1" ; chebi:inchikey "MWNPJFSJRUIJTE-MIKJVJEASA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11546" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_10017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46658 . _:b126 rdf:type owl:Restriction . obo:CHEBI_10017 rdfs:subClassOf _:b126 . _:b126 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . obo:CHEBI_10017 obo:IAO_0000115 "A heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6." ; chebi:charge "0" ; chebi:formula "C7H16O7" ; chebi:inchi "InChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1" ; chebi:inchikey "OXQKEKGBFMQTML-KVTDHHQDSA-N" ; chebi:mass "212.19770" ; chebi:monoisotopicmass "212.08960" ; chebi:smiles "OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO" ; oboInOwl:hasDbXref "CAS:488-38-0" ; oboInOwl:hasDbXref "KEGG:C08260" ; oboInOwl:hasDbXref "KNApSAcK:C00001175" ; oboInOwl:hasDbXref "PMID:5064267" ; oboInOwl:hasDbXref "PMID:9880360" ; oboInOwl:hasExactSynonym "(2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "D-glycero-D-manno-Heptitol" ; oboInOwl:id "CHEBI:10017" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "volemitol" . _:b127 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10017 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:488-38-0" ; rdfs:label "KEGG COMPOUND" . _:b128 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10017 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:5064267" ; rdfs:label "Europe PMC" . _:b129 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10017 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9880360" ; rdfs:label "Europe PMC" . _:b130 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10017 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b131 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10017 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-glycero-D-manno-Heptitol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20+,22-/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-DWLFOUALSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11547" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_100171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18-,25+/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-DPOKWSEZSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11548" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_100172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-OKYOBFRVSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-11549" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_100173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23-,30+/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-ZTNZZFSWSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11550" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11550" . obo:CHEBI_100174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-PIXNORKHSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11551" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11551" . obo:CHEBI_100175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20+,22-/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-DCZASFAJSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11552" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_100176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19+/m1/s1" ; chebi:inchikey "APPCZAALLCDYNG-MDZRGWNJSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11553" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_100177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-NBTLCYJSSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11554" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11554" . obo:CHEBI_100178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H24F3N5O3" ; chebi:inchi "InChI=1S/C25H24F3N5O3/c26-25(27,28)14-31-23(35)22-19(13-34)18-12-32-20(21(18)33(22)11-15-3-7-29-8-4-15)2-1-17(24(32)36)16-5-9-30-10-6-16/h1-10,18-19,21-22,34H,11-14H2,(H,31,35)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "VFFISKNUVGRLDD-KRXUUXHPSA-N" ; chebi:mass "499.486" ; chebi:monoisotopicmass "499.18312" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CC=NC=C4)CC5=CC=NC=C5)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11555" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24-/m0/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-JXQFQVJHSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11556" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_10018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22798 ; rdfs:subClassOf obo:CHEBI_23436 ; rdfs:subClassOf obo:CHEBI_63367 ; rdfs:subClassOf obo:CHEBI_80291 ; obo:IAO_0000115 "A cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1." ; chebi:charge "0" ; chebi:formula "C12H17NO7" ; chebi:inchi "InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2/t6-,7+,8+,9-,10+,11-,12-/m0/s1" ; chebi:inchikey "JRCWYCAEAZEYNW-WTMYBKBASA-N" ; chebi:mass "287.26590" ; chebi:monoisotopicmass "287.10050" ; chebi:smiles "OC[C@H]1O[C@@H](O[C@@]2(C[C@@H](O)C=C2)C#N)[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasDbXref "CAS:66575-40-4" ; oboInOwl:hasDbXref "KEGG:C08344" ; oboInOwl:hasDbXref "KNApSAcK:C00001459" ; oboInOwl:hasDbXref "PMID:11152950" ; oboInOwl:hasDbXref "Reaxys:4703787" ; oboInOwl:hasExactSynonym "(1R,4R)-1-(beta-D-glucopyranosyloxy)-4-hydroxycyclopent-2-ene-1-carbonitrile" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10018" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "volkenin" . _:b132 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10018 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:66575-40-4" ; rdfs:label "ChemIDplus" . _:b133 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10018 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:66575-40-4" ; rdfs:label "KEGG COMPOUND" . _:b134 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10018 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11152950" ; rdfs:label "Europe PMC" . _:b135 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10018 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:4703787" ; rdfs:label "Reaxys" . _:b136 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10018 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(1R,4R)-1-(beta-D-glucopyranosyloxy)-4-hydroxycyclopent-2-ene-1-carbonitrile" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21-,26-/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-IPVFLDMMSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11557" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25+,28-/m0/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-DLNIMUOOSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11558" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_100182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23+,25+,27-/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-XASBYKNISA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11559" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "BEWGTMHICYCEOA-IHMNZUQTSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11560" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_100184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DILHJWACXDWAEF-RHGYRFJNSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11561" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23-/m1/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-DNVJHFABSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11562" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_100186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-LNRXMEIDSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11563" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-AKHDSKFASA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11564" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26-,28-/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-SJPQFPLUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-11565" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23+,27+,29-/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-HTMHUVIFSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11566" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C22H24N2O4" ; chebi:inchi "InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1" ; chebi:inchikey "ZMTYENXGROJCEA-LNKPQSDASA-N" ; chebi:mass "380.438" ; chebi:monoisotopicmass "380.17361" ; chebi:smiles "CN1CC[C@@]23[C@@H]4[C@@H]5[C@H](CC(=O)N4c4c2cccc4O)OCC=C(C1)[C@@H]5CC3=O" ; oboInOwl:hasDbXref "CAS:125-15-5" ; oboInOwl:hasDbXref "KEGG:C09255" ; oboInOwl:hasDbXref "KNApSAcK:C00001788" ; oboInOwl:hasExactSynonym "Vomicine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vomicine" . _:b137 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10019 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:125-15-5" ; rdfs:label "KEGG COMPOUND" . _:b138 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10019 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vomicine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-XGXHKWSGSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-11567" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "JFYAEFCKASRCBE-YDIMBITNSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11568" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18-,19+/m0/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-YTQUADARSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11569" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O7" ; chebi:inchi "InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "VAJXXPPWCPTEHE-FALQBERWSA-N" ; chebi:mass "508.564" ; chebi:monoisotopicmass "508.22095" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-11570" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-9-6-13-29(17-24)43-4)38-33(32(28)31(39)14-15-40)27-12-7-11-26(18-27)25-10-5-8-23(16-25)20-36/h5-13,16-19,31,40H,14-15,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "ARPJWHDFQDPYLK-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11571" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25+,26-,27+/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YYGZZXRFSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11572" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "BEWGTMHICYCEOA-VKSDOSABSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11573" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_100197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-PBDKAQRYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11574" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20-,23-/m1/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-RWSUSOHTSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11575" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17+,19+,20-/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-LCLWPZTBSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11576" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_1002 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18372 ; owl:deprecated true . obo:CHEBI_10020 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_49164 ; owl:deprecated true . obo:CHEBI_100200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26-,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-BPRLDMBXSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-11577" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O7" ; chebi:inchi "InChI=1S/C32H46N4O7/c1-21-17-36(22(2)19-37)31(38)26-16-25(34(4)5)11-13-27(26)43-23(3)9-7-8-14-40-30(21)18-35(6)32(39)33-24-10-12-28-29(15-24)42-20-41-28/h10-13,15-16,21-23,30,37H,7-9,14,17-20H2,1-6H3,(H,33,39)/t21-,22+,23+,30-/m0/s1" ; chebi:inchikey "SIEZSLVXLUPDNY-NWWGNFDPSA-N" ; chebi:mass "598.731" ; chebi:monoisotopicmass "598.33665" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11578" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(1,3-benzodioxol-5-yl)-1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_100202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "JFYAEFCKASRCBE-JXQFQVJHSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11579" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28-/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-VPCISXJNSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11580" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11580" . obo:CHEBI_100204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "QBEIQJOXWRLXRW-UETOGOEVSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11581" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11581" . obo:CHEBI_100205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23+/m0/s1" ; chebi:inchikey "ANPNCKARMDTJMY-IEIRFRATSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11582" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-MBDNFAEBSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11583" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24+,30+/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FVBCXUTKSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11584" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17-,23-/m1/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-SEPYTNNBSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11585" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19-/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-CEXWTWQISA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-11586" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10021 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16408 ; owl:deprecated true . obo:CHEBI_100210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H23FN2O6" ; chebi:inchi "InChI=1S/C26H23FN2O6/c1-35-15-8-6-14(7-9-15)16-10-11-20-23-22(26(33)34)18(13-30)21(12-28(20)24(16)31)29(23)25(32)17-4-2-3-5-19(17)27/h2-11,18,21-23,30H,12-13H2,1H3,(H,33,34)/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "HJRLJVUTEJWJEN-XSEFMFLKSA-N" ; chebi:mass "478.470" ; chebi:monoisotopicmass "478.15401" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4C(=O)C5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11587" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11587" . obo:CHEBI_100211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24-,30-,33+/m0/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-HWQLMJRHSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11588" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11588" . obo:CHEBI_100212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-IEOSBIPESA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11589" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11589" . obo:CHEBI_100213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-OKWYHVSVSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-11590" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24+,30-/m0/s1" ; chebi:inchikey "BENJSVFNXVDSQO-BBANNHEPSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11591" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11591" . obo:CHEBI_100215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23-/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-PMAPCBKXSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11592" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22-,23-,24+/m0/s1" ; chebi:inchikey "QYSMODXJNCJWNA-DROZZWDISA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11593" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23-,24+/m0/s1" ; chebi:inchikey "UWGYAIIPASVTSB-UARRHKHWSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11594" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-BVFVYWQFSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11595" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11595" . obo:CHEBI_100219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O2" ; chebi:inchi "InChI=1S/C17H20N2O2/c18-10-14-16(12-6-2-1-3-7-12)15(11-20)19(14)17(21)13-8-4-5-9-13/h1-3,6-7,13-16,20H,4-5,8-9,11H2/t14-,15+,16-/m1/s1" ; chebi:inchikey "RUNWFOIXOHBRTB-OWCLPIDISA-N" ; chebi:mass "284.354" ; chebi:monoisotopicmass "284.15248" ; chebi:smiles "C1CCC(C1)C(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11596" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_10022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_15734 ; rdfs:subClassOf obo:CHEBI_2468 ; rdfs:subClassOf obo:CHEBI_27136 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_55517 ; chebi:charge "0" ; chebi:formula "C15H20O6" ; chebi:inchi "InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1" ; chebi:inchikey "LINOMUASTDIRTM-LZTLOYDTSA-N" ; chebi:mass "296.316" ; chebi:monoisotopicmass "296.12599" ; chebi:smiles "CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@@]33CO3)[C@@]2(CO)[C@H](O)C1=O" ; oboInOwl:hasDbXref "CAS:51481-10-8" ; oboInOwl:hasDbXref "KEGG:C09747" ; oboInOwl:hasDbXref "KNApSAcK:C00003201" ; oboInOwl:hasExactSynonym "Vomitoxin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Deoxynivalenol" ; oboInOwl:id "CHEBI:10022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vomitoxin" . _:b139 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10022 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:51481-10-8" ; rdfs:label "ChemIDplus" . _:b140 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10022 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:51481-10-8" ; rdfs:label "KEGG COMPOUND" . _:b141 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10022 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vomitoxin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b142 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10022 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Deoxynivalenol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20+/m0/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-PWIZWCRZSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11597" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_100221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-SJJZSITHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-11598" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22-,24-,26-,28+/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-VDXPONGZSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11599" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c34-19-25-24-18-33-26(12-11-23(29(33)35)22-9-5-2-6-10-22)27(24)31-28(25)30(36)32-15-13-21(14-16-32)17-20-7-3-1-4-8-20/h1,3-4,7-9,11-12,21,24-25,27-28,31,34H,2,5-6,10,13-19H2/t24-,25-,27+,28-/m0/s1" ; chebi:inchikey "FDPYZAHJFSZBPH-KWNVVKLJSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)N5CCC(CC5)CC6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11600" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O5" ; chebi:inchi "InChI=1S/C32H38N4O5/c1-19-15-36(20(2)17-37)32(39)30-29(25-13-9-10-14-26(25)35(30)6)24-12-8-7-11-23(24)18-40-27(19)16-34(5)31(38)28-21(3)33-41-22(28)4/h7-14,19-20,27,37H,15-18H2,1-6H3/t19-,20-,27+/m0/s1" ; chebi:inchikey "LBGXIXNVJUEMSO-OWOAZTCBSA-N" ; chebi:mass "558.669" ; chebi:monoisotopicmass "558.28422" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11601" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11601" . obo:CHEBI_100225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-STSQHVNTSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11602" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31-/m1/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-ULPIOCOXSA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasDbXref "LINCS:LSM-11603" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-JZEPBHRJSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-11604" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21-/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-HBMCJLEFSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11605" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24+/m0/s1" ; chebi:inchikey "BYJFOJVMGKORHN-ODGPQVTHSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11606" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_10023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_38582 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87071 ; rdfs:subClassOf obo:CHEBI_87101 . _:b143 rdf:type owl:Restriction . obo:CHEBI_10023 rdfs:subClassOf _:b143 . _:b143 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50183 . obo:CHEBI_10023 obo:IAO_0000115 "A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4." ; chebi:charge "0" ; chebi:formula "C16H14F3N5O" ; chebi:inchi "InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1" ; chebi:inchikey "BCEHBSKCWLPMDN-MGPLVRAMSA-N" ; chebi:mass "349.31050" ; chebi:monoisotopicmass "349.11504" ; chebi:smiles "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F" ; oboInOwl:hasAlternativeId "CHEBI:127308" ; oboInOwl:hasDbXref "Beilstein:7694998" ; oboInOwl:hasDbXref "CAS:137234-62-9" ; oboInOwl:hasDbXref "DrugBank:DB00582" ; oboInOwl:hasDbXref "Drug_Central:2846" ; oboInOwl:hasDbXref "KEGG:C07622" ; oboInOwl:hasDbXref "KEGG:D00578" ; oboInOwl:hasDbXref "LINCS:LSM-5244" ; oboInOwl:hasDbXref "PMID:12940129" ; oboInOwl:hasDbXref "PMID:22718362" ; oboInOwl:hasDbXref "PMID:23392902" ; oboInOwl:hasDbXref "PMID:23527908" ; oboInOwl:hasDbXref "PMID:23766489" ; oboInOwl:hasDbXref "PMID:24102553" ; oboInOwl:hasDbXref "Patent:EP440372" ; oboInOwl:hasDbXref "Patent:US5278175" ; oboInOwl:hasDbXref "Wikipedia:Voriconazole" ; oboInOwl:hasExactSynonym "(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol" ; oboInOwl:hasRelatedSynonym "(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol" ; oboInOwl:hasRelatedSynonym "VCZ" ; oboInOwl:hasRelatedSynonym "Vfend" ; oboInOwl:hasRelatedSynonym "voriconazol" ; oboInOwl:hasRelatedSynonym "voriconazole" ; oboInOwl:hasRelatedSynonym "voriconazolum" ; oboInOwl:id "CHEBI:10023" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "voriconazole" . _:b144 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:7694998" ; rdfs:label "Beilstein" . _:b145 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:137234-62-9" ; rdfs:label "ChemIDplus" . _:b146 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:137234-62-9" ; rdfs:label "DrugBank" . _:b147 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:137234-62-9" ; rdfs:label "KEGG COMPOUND" . _:b148 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:137234-62-9" ; rdfs:label "KEGG DRUG" . _:b149 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2846" ; rdfs:label "DrugCentral" . _:b150 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12940129" ; rdfs:label "Europe PMC" . _:b151 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22718362" ; rdfs:label "Europe PMC" . _:b152 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23392902" ; rdfs:label "Europe PMC" . _:b153 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23527908" ; rdfs:label "Europe PMC" . _:b154 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23766489" ; rdfs:label "Europe PMC" . _:b155 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24102553" ; rdfs:label "Europe PMC" . _:b156 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b157 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol" ; oboInOwl:hasDbXref "ChEBI" . _:b158 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b159 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "VCZ" ; oboInOwl:hasDbXref "DrugBank" . _:b160 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Vfend" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b161 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "voriconazol" ; oboInOwl:hasDbXref "WHO_MedNet" ; oboInOwl:hasSynonymType chebi2:INN . _:b162 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "voriconazole" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b163 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "voriconazole" ; oboInOwl:hasDbXref "WHO_MedNet" ; oboInOwl:hasSynonymType chebi2:INN . _:b164 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10023 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "voriconazolum" ; oboInOwl:hasDbXref "WHO_MedNet" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_100230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b165 rdf:type owl:Restriction . obo:CHEBI_100230 rdfs:subClassOf _:b165 . _:b165 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100230 chebi:charge "0" ; chebi:formula "C19H19F2N3O3" ; chebi:inchi "InChI=1S/C19H19F2N3O3/c20-11-4-10(5-12(21)6-11)7-22-19(27)17-13(9-25)14-8-24-15(18(17)23-14)2-1-3-16(24)26/h1-6,13-14,17-18,23,25H,7-9H2,(H,22,27)/t13-,14-,17+,18+/m1/s1" ; chebi:inchikey "ZFBXTHNADMEDJT-KNCCTNLNSA-N" ; chebi:mass "375.370" ; chebi:monoisotopicmass "375.13945" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC(=CC(=C4)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11607" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11607" . obo:CHEBI_100231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O4" ; chebi:inchi "InChI=1S/C19H19FN2O4/c1-26-19(25)16-12(9-23)14-8-22-15(17(16)21-14)7-6-11(18(22)24)10-4-2-3-5-13(10)20/h2-7,12,14,16-17,21,23H,8-9H2,1H3/t12-,14-,16+,17+/m1/s1" ; chebi:inchikey "NXPHSKBMFHKARG-IRWJRLHMSA-N" ; chebi:mass "358.364" ; chebi:monoisotopicmass "358.13289" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]1N2)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11608" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11608" . obo:CHEBI_100232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23+,26-,28-/m1/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-PKZARACNSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11609" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23-/m0/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-ZRBLBEILSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11610" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-6-7-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-3-4-8-23-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "PSRJUTPUZRNONK-ZLLBNUPZSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-11611" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21-,24-,26+/m0/s1" ; chebi:inchikey "UVPONYOZSFJNDG-YKNOVDGGSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11612" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30+,32-/m1/s1" ; chebi:inchikey "MARYDHBQWVLAFX-XXKKVQIQSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11613" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-20-11-17(26-33(29,30)22-8-6-5-7-19(22)24)9-10-18(20)23(28)27(3)13-21(15)31-4/h5-11,15-16,21,25-26H,12-14H2,1-4H3/t15-,16-,21-/m1/s1" ; chebi:inchikey "DHNAZJFKQHWVTC-WHSLLNHNSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11614" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22+/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-NPPFBWRTSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11615" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23+,25-,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-STMVPXLDSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11616" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H20O4" ; chebi:inchi "InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1" ; chebi:inchikey "NGPDZEACIWDCKX-WUDKWMPASA-N" ; chebi:mass "264.317" ; chebi:monoisotopicmass "264.13616" ; chebi:smiles "C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O" ; oboInOwl:hasDbXref "CAS:3162-56-9" ; oboInOwl:hasDbXref "KEGG:C09600" ; oboInOwl:hasDbXref "KNApSAcK:C00003393" ; oboInOwl:hasExactSynonym "Vulgarin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgarin" . _:b166 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10024 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:3162-56-9" ; rdfs:label "KEGG COMPOUND" . _:b167 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10024 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vulgarin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-11-17(27-24(31)28-20-8-6-5-7-19(20)25)9-10-18(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "VOCYCOKXIBOWBC-MCFFVMPBSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11617" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23765 ; rdfs:subClassOf obo:CHEBI_26512 ; rdfs:subClassOf obo:CHEBI_36709 ; rdfs:subClassOf obo:CHEBI_46848 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b168 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b168 . _:b168 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b169 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b169 . _:b169 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b170 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b170 . _:b170 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b171 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b171 . _:b171 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b172 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b172 . _:b172 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50750 . _:b173 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b173 . _:b173 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53559 . _:b174 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b174 . _:b174 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b175 rdf:type owl:Restriction . obo:CHEBI_100241 rdfs:subClassOf _:b175 . _:b175 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . obo:CHEBI_100241 obo:IAO_0000115 "A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively." ; chebi:charge "0" ; chebi:formula "C17H18FN3O3" ; chebi:inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" ; chebi:inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N" ; chebi:mass "331.34150" ; chebi:monoisotopicmass "331.13322" ; chebi:smiles "OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O" ; oboInOwl:hasAlternativeId "CHEBI:102718" ; oboInOwl:hasAlternativeId "CHEBI:3717" ; oboInOwl:hasAlternativeId "CHEBI:41638" ; oboInOwl:hasDbXref "Beilstein:3568352" ; oboInOwl:hasDbXref "CAS:85721-33-1" ; oboInOwl:hasDbXref "DrugBank:DB00537" ; oboInOwl:hasDbXref "Drug_Central:659" ; oboInOwl:hasDbXref "HMDB:HMDB0014677" ; oboInOwl:hasDbXref "KEGG:C05349" ; oboInOwl:hasDbXref "KEGG:D00186" ; oboInOwl:hasDbXref "LINCS:LSM-5226" ; oboInOwl:hasDbXref "PDBeChem:CPF" ; oboInOwl:hasDbXref "PMID:10397494" ; oboInOwl:hasDbXref "PMID:10737746" ; oboInOwl:hasDbXref "Patent:DE3142854" ; oboInOwl:hasDbXref "Patent:US4670444" ; oboInOwl:hasDbXref "Reaxys:3568352" ; oboInOwl:hasDbXref "VSDB:1763" ; oboInOwl:hasDbXref "Wikipedia:Ciprofloxacin" ; oboInOwl:hasExactSynonym "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasExactSynonym "Ciprofloxacin" ; oboInOwl:hasExactSynonym "ciprofloxacin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID" ; oboInOwl:hasRelatedSynonym "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasRelatedSynonym "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" ; oboInOwl:hasRelatedSynonym "1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid" ; oboInOwl:hasRelatedSynonym "ciprofloxacin" ; oboInOwl:hasRelatedSynonym "ciprofloxacine" ; oboInOwl:hasRelatedSynonym "ciprofloxacino" ; oboInOwl:hasRelatedSynonym "ciprofloxacinum" ; oboInOwl:id "CHEBI:100241" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ciprofloxacin" . _:b176 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:3568352" ; rdfs:label "Beilstein" . _:b177 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:85721-33-1" ; rdfs:label "ChemIDplus" . _:b178 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:85721-33-1" ; rdfs:label "KEGG COMPOUND" . _:b179 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:659" ; rdfs:label "DrugCentral" . _:b180 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10397494" ; rdfs:label "ChEMBL" . _:b181 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10737746" ; rdfs:label "ChEMBL" . _:b182 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:3568352" ; rdfs:label "Reaxys" . _:b183 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b184 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Ciprofloxacin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b185 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "ciprofloxacin" ; oboInOwl:hasDbXref "ChEMBL" . _:b186 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID" ; oboInOwl:hasDbXref "PDBeChem" . _:b187 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b188 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b189 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b190 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b191 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b192 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid" ; oboInOwl:hasDbXref "ChEMBL" . _:b193 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ciprofloxacin" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b194 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ciprofloxacine" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b195 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ciprofloxacino" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b196 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100241 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ciprofloxacinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_100242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_53165 . _:b197 rdf:type owl:Restriction . obo:CHEBI_100242 rdfs:subClassOf _:b197 . _:b197 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_100247 . obo:CHEBI_100242 obo:IAO_0000115 "An N-hydroxysuccinimide ester derived from 5-(3-azidopropylamino)-5-oxopentanoic acid." ; chebi:charge "0" ; chebi:formula "C12H17N5O5" ; chebi:inchi "InChI=1S/C12H17N5O5/c13-16-15-8-2-7-14-9(18)3-1-4-12(21)22-17-10(19)5-6-11(17)20/h1-8H2,(H,14,18)" ; chebi:inchikey "BQVRKJWREPLZKE-UHFFFAOYSA-N" ; chebi:mass "311.294" ; chebi:monoisotopicmass "311.12297" ; chebi:smiles "O=C(NCCCN=[N+]=[N-])CCCC(ON1C(CCC1=O)=O)=O" ; oboInOwl:hasDbXref "PMID:16113733" ; oboInOwl:hasDbXref "PMID:26812026" ; oboInOwl:hasDbXref "Patent:EP2452936" ; oboInOwl:hasDbXref "Reaxys:10576806" ; oboInOwl:hasExactSynonym "N-(3-azidopropyl)-5-[(2,5-dioxopyrrolidin-1-yl)oxy]-5-oxopentanamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-(3-azidopropylamino)-5-oxopentanoic acid N-hydroxysuccinimide ester" ; oboInOwl:hasRelatedSynonym "5-(3-azidopropylamino)-5-oxopentanoic acid NHS ester" ; oboInOwl:hasRelatedSynonym "succinimidyl 5-(3-azidopropylamino)-5-oxopentanoate" ; oboInOwl:id "CHEBI:100242" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-succinimidyl 5-(3-azidopropylamino)-5-oxopentanoate" . _:b198 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16113733" ; rdfs:label "Europe PMC" . _:b199 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26812026" ; rdfs:label "Europe PMC" . _:b200 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:10576806" ; rdfs:label "Reaxys" . _:b201 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-(3-azidopropyl)-5-[(2,5-dioxopyrrolidin-1-yl)oxy]-5-oxopentanamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b202 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(3-azidopropylamino)-5-oxopentanoic acid N-hydroxysuccinimide ester" ; oboInOwl:hasDbXref "ChEBI" . _:b203 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(3-azidopropylamino)-5-oxopentanoic acid NHS ester" ; oboInOwl:hasDbXref "ChEBI" . _:b204 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100242 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "succinimidyl 5-(3-azidopropylamino)-5-oxopentanoate" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H28F2N4O5" ; chebi:inchi "InChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19+,21-/m1/s1" ; chebi:inchikey "CXRYDROHJOKZNG-SLYNCCJLSA-N" ; chebi:mass "478.490" ; chebi:monoisotopicmass "478.20278" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11619" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_100244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32+,34+/m1/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-QHMPLAMHSA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasDbXref "LINCS:LSM-11620" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22-,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-VHJOFQCFSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11621" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23765 ; rdfs:subClassOf obo:CHEBI_26512 ; rdfs:subClassOf obo:CHEBI_46848 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b205 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b205 . _:b205 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b206 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b206 . _:b206 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b207 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b207 . _:b207 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59517 . _:b208 rdf:type owl:Restriction . obo:CHEBI_100246 rdfs:subClassOf _:b208 . _:b208 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . obo:CHEBI_100246 obo:IAO_0000115 "A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase." ; chebi:charge "0" ; chebi:formula "C16H18FN3O3" ; chebi:inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" ; chebi:inchikey "OGJPXUAPXNRGGI-UHFFFAOYSA-N" ; chebi:mass "319.33080" ; chebi:monoisotopicmass "319.13322" ; chebi:smiles "CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1" ; oboInOwl:hasAlternativeId "CHEBI:7629" ; oboInOwl:hasDbXref "Beilstein:567897" ; oboInOwl:hasDbXref "CAS:70458-96-7" ; oboInOwl:hasDbXref "DrugBank:DB01059" ; oboInOwl:hasDbXref "Drug_Central:1967" ; oboInOwl:hasDbXref "Gmelin:1576626" ; oboInOwl:hasDbXref "HMDB:HMDB0015192" ; oboInOwl:hasDbXref "KEGG:C06687" ; oboInOwl:hasDbXref "KEGG:D00210" ; oboInOwl:hasDbXref "LINCS:LSM-5286" ; oboInOwl:hasDbXref "PMID:3317294" ; oboInOwl:hasDbXref "PMID:3908074" ; oboInOwl:hasDbXref "PMID:6211142" ; oboInOwl:hasDbXref "PMID:6224685" ; oboInOwl:hasDbXref "PMID:6234465" ; oboInOwl:hasDbXref "PMID:6454381" ; oboInOwl:hasDbXref "PMID:6461606" ; oboInOwl:hasDbXref "Patent:BE863429" ; oboInOwl:hasDbXref "Patent:DE2840910" ; oboInOwl:hasDbXref "Patent:US4146719" ; oboInOwl:hasDbXref "Patent:US4292317" ; oboInOwl:hasDbXref "Reaxys:567897" ; oboInOwl:hasDbXref "VSDB:1831" ; oboInOwl:hasDbXref "Wikipedia:Norfloxacin" ; oboInOwl:hasExactSynonym "1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasRelatedSynonym "1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure" ; oboInOwl:hasRelatedSynonym "1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasRelatedSynonym "NFLX" ; oboInOwl:hasRelatedSynonym "norfloxacin" ; oboInOwl:hasRelatedSynonym "norfloxacine" ; oboInOwl:hasRelatedSynonym "norfloxacino" ; oboInOwl:hasRelatedSynonym "norfloxacinum" ; oboInOwl:id "CHEBI:100246" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "norfloxacin" . _:b209 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:567897" ; rdfs:label "Beilstein" . _:b210 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:70458-96-7" ; rdfs:label "ChemIDplus" . _:b211 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:70458-96-7" ; rdfs:label "KEGG COMPOUND" . _:b212 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1967" ; rdfs:label "DrugCentral" . _:b213 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:1576626" ; rdfs:label "Gmelin" . _:b214 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:3317294" ; rdfs:label "Europe PMC" . _:b215 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:3908074" ; rdfs:label "Europe PMC" . _:b216 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6211142" ; rdfs:label "Europe PMC" . _:b217 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6224685" ; rdfs:label "Europe PMC" . _:b218 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6234465" ; rdfs:label "Europe PMC" . _:b219 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6454381" ; rdfs:label "Europe PMC" . _:b220 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6461606" ; rdfs:label "Europe PMC" . _:b221 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:567897" ; rdfs:label "Reaxys" . _:b222 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b223 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b224 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure" ; oboInOwl:hasDbXref "ChemIDplus" . _:b225 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b226 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "NFLX" ; oboInOwl:hasDbXref "KEGG_DRUG" . _:b227 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "norfloxacin" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b228 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "norfloxacine" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b229 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "norfloxacino" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b230 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100246 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "norfloxacinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_100247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_22680 ; rdfs:subClassOf obo:CHEBI_35871 ; obo:IAO_0000115 "An oxo monocarboxylic acid in which pentanoic acid is substituted at C-5 with an oxo group and a 3-azidopropylamino group." ; chebi:charge "0" ; chebi:formula "C8H14N4O3" ; chebi:inchi "InChI=1S/C8H14N4O3/c9-12-11-6-2-5-10-7(13)3-1-4-8(14)15/h1-6H2,(H,10,13)(H,14,15)" ; chebi:inchikey "UPZALMCPRFZBAD-UHFFFAOYSA-N" ; chebi:mass "214.222" ; chebi:monoisotopicmass "214.10659" ; chebi:smiles "O=C(NCCCN=[N+]=[N-])CCCC(O)=O" ; oboInOwl:hasDbXref "Reaxys:9486198" ; oboInOwl:hasExactSynonym "5-[(3-azidopropyl)amino]-5-oxopentanoic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100247" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-(3-azidopropylamino)-5-oxopentanoic acid" . _:b231 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100247 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:9486198" ; rdfs:label "Reaxys" . _:b232 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100247 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-[(3-azidopropyl)amino]-5-oxopentanoic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H26N2O6" ; chebi:inchi "InChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11+,12-,13+/m1/s1" ; chebi:inchikey "DUBDZBJJIAHCBK-XQHKEYJVSA-N" ; chebi:mass "330.377" ; chebi:monoisotopicmass "330.17909" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11623" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19+,20-/m0/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-ZCNNSNEGSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11624" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83925 ; chebi:charge "0" ; chebi:formula "C14H17N3O7" ; chebi:inchi "InChI=1S/C14H17N3O7/c15-11(18)2-1-8(12(19)20)16-4-3-7-5-9(13(21)22)17-10(6-7)14(23)24/h3-5,8,10,17H,1-2,6H2,(H2,15,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,16-4-/t8-,10-/m0/s1" ; chebi:inchikey "PDBJJFJKNSKTSW-IRFVBRLPSA-N" ; chebi:mass "339.301" ; chebi:monoisotopicmass "339.10665" ; chebi:smiles "NC(=O)CC[C@H](\\N=C/C=C1C[C@H](NC(=C\\1)C(O)=O)C(O)=O)C(O)=O" ; oboInOwl:hasDbXref "CAS:904-62-1" ; oboInOwl:hasDbXref "KEGG:C08568" ; oboInOwl:hasDbXref "KNApSAcK:C00001607" ; oboInOwl:hasExactSynonym "Vulgaxanthin-I" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgaxanthin-I" . _:b233 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10025 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:904-62-1" ; rdfs:label "KEGG COMPOUND" . _:b234 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10025 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vulgaxanthin-I" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26-/m1/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-OQUNMALSSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11625" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11625" . obo:CHEBI_100251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-3-11-27-20-13-28-19(9-8-17(24(28)31)15-4-6-16(25)7-5-15)22(27)21(18(20)14-29)23(30)26-10-12-32-2/h4-9,18,20-22,29H,3,10-14H2,1-2H3,(H,26,30)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "IYRJHNQZTHMZFV-YJMBLLCNSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-11626" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11626" . obo:CHEBI_100252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16+,18-,21-/m1/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-HRWHDRTOSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11627" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_100253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21+/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-XFQAVAEZSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11628" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-PFSLXQJOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11629" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17+/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-YESZJQIVSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-11630" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100256 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-FALQBERWSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasDbXref "LINCS:LSM-11631" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100256" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C23H26N4O4" ; chebi:inchi "InChI=1S/C23H26N4O4/c28-14-15-18-13-26-17(8-6-9-19(26)29)21(20(15)23(31)25-11-4-1-5-12-25)27(18)22(30)16-7-2-3-10-24-16/h2-3,6-10,15,18,20-21,28H,1,4-5,11-14H2/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "NNGWCWYYPXSIHJ-NXXWWENFSA-N" ; chebi:mass "422.478" ; chebi:monoisotopicmass "422.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5=CC=CC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11632" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100257" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11632" . obo:CHEBI_100258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ZFEMWODPVTXMHX-UFUIAINPSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11633" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20-/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-VAMGGRTRSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11634" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36963 . _:b235 rdf:type owl:Restriction . obo:CHEBI_10026 rdfs:subClassOf _:b235 . _:b235 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35742 . obo:CHEBI_10026 chebi:charge "0" ; chebi:formula "C14H16N2O8" ; chebi:inchi "InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,16H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b7-3-,15-4-/t8-,10-/m0/s1" ; chebi:inchikey "POYIZOSTYKKRNT-OILNYAPZSA-N" ; chebi:mass "340.286" ; chebi:monoisotopicmass "340.09067" ; chebi:smiles "OC(=O)CC[C@H](\\N=C/C=C1C[C@H](NC(=C\\1)C(O)=O)C(O)=O)C(O)=O" ; oboInOwl:hasDbXref "CAS:1047-87-6" ; oboInOwl:hasDbXref "KEGG:C08569" ; oboInOwl:hasDbXref "KNApSAcK:C00001608" ; oboInOwl:hasExactSynonym "Vulgaxanthin-II" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Vulgaxanthin-II" . _:b236 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10026 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1047-87-6" ; rdfs:label "KEGG COMPOUND" . _:b237 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10026 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Vulgaxanthin-II" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-JLHGSKIFSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11635" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23+,25-/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-VUHNXCBZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11636" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m0/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-QRFRQXIXSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11637" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "YDXYYDXTJISMJT-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-11638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19-,26+/m0/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-LZJCXSABSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11639" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13+,14-,15+/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-LJISPDSOSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11640" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16+,20+/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-GUXCAODWSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11641" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H24N2O3" ; chebi:inchi "InChI=1S/C22H24N2O3/c23-13-18-20(19(14-25)24(18)21(26)17-7-8-17)16-5-3-15(4-6-16)9-12-22(27)10-1-2-11-22/h3-6,17-20,25,27H,1-2,7-8,10-11,14H2/t18-,19-,20+/m0/s1" ; chebi:inchikey "PBPFKUQGSPUXQC-SLFFLAALSA-N" ; chebi:mass "364.438" ; chebi:monoisotopicmass "364.17869" ; chebi:smiles "C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO)O" ; oboInOwl:hasDbXref "LINCS:LSM-11642" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22+,23-/m1/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-XPWALMASSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11643" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_100269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19-,21-,24+/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-ISYUWZRGSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11644" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_10027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C21H28N2O3" ; chebi:inchi "InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3" ; chebi:inchikey "NEAZMARKCJKUMF-UHFFFAOYSA-N" ; chebi:mass "356.459" ; chebi:monoisotopicmass "356.20999" ; chebi:smiles "CC1COC(=N1)c1ccc(OCCCCCCCc2cc(C)no2)cc1" ; oboInOwl:hasDbXref "KEGG:C06497" ; oboInOwl:hasExactSynonym "WIN I(S)" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-(7-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole" ; oboInOwl:hasRelatedSynonym "WIN 52084 (S)" ; oboInOwl:id "CHEBI:10027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN I(S)" . _:b238 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10027 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "WIN I(S)" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b239 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10027 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(7-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b240 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10027 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "WIN 52084 (S)" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23+,24-/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-AYVPJYCDSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11645" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16+,17-/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-IXDOHACOSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11646" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O4" ; chebi:inchi "InChI=1S/C25H31FN4O4/c1-15(32)30-22-19(20(14-31)23(30)24(33)27-10-5-11-28(2)3)13-29-21(22)9-8-18(25(29)34)16-6-4-7-17(26)12-16/h4,6-9,12,19-20,22-23,31H,5,10-11,13-14H2,1-3H3,(H,27,33)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "KVNOQKWAHHZEJM-YXPKMTABSA-N" ; chebi:mass "470.537" ; chebi:monoisotopicmass "470.23293" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11647" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H25FN4O4" ; chebi:inchi "InChI=1S/C26H25FN4O4/c1-2-28-24(33)22-18(14-32)21-13-30-20(23(22)31(21)26(35)19-5-3-4-12-29-19)11-10-17(25(30)34)15-6-8-16(27)9-7-15/h3-12,18,21-23,32H,2,13-14H2,1H3,(H,28,33)/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "SQYOPUXXKNICGN-QQUTXWOLSA-N" ; chebi:mass "476.500" ; chebi:monoisotopicmass "476.18598" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1N2C(=O)C5=CC=CC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11648" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11648" . obo:CHEBI_100274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)30-12-10-18-5-2-1-3-6-18)22-13-20(8-9-24(22)36-27)31-28(34)19-7-4-11-29-16-19/h1-9,11,13,16,21,23,25,27,32H,10,12,14-15,17H2,(H,30,33)(H,31,34)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "ZFEMWODPVTXMHX-JZEPBHRJSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11649" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22-/m0/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-WCJKSRRJSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11650" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22-,25+/m1/s1" ; chebi:inchikey "HNAQDDNENYJUKU-SMISUXHESA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11651" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m0/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-RHGYRFJNSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11652" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H34N4O6" ; chebi:inchi "InChI=1S/C34H34N4O6/c1-21-16-28(37-44-21)33(40)36-25-12-15-30-27(17-25)34(41)38(2)29-14-13-26(43-31(29)20-42-30)18-32(39)35-19-22-8-10-24(11-9-22)23-6-4-3-5-7-23/h3-12,15-17,26,29,31H,13-14,18-20H2,1-2H3,(H,35,39)(H,36,40)/t26-,29+,31-/m1/s1" ; chebi:inchikey "COTLGVLRTBZUTQ-YHHKDRGWSA-N" ; chebi:mass "594.658" ; chebi:monoisotopicmass "594.24783" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11653" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-8-25(32)29-21-10-11-22-23(13-21)36-17-19(3)31(26(33)20-9-7-12-28-14-20)15-18(2)24(35-5)16-30(4)27(22)34/h7,9-14,18-19,24H,6,8,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "IERCBNABLGDWRK-YDIMBITNSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11654" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_10028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C18H22N2O3" ; chebi:inchi "InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3" ; chebi:inchikey "IWZDYGHUSXWPPM-UHFFFAOYSA-N" ; chebi:mass "314.380" ; chebi:monoisotopicmass "314.16304" ; chebi:smiles "Cc1cc(CCCCCOc2ccc(cc2)C2=NCCO2)on1" ; oboInOwl:hasDbXref "KEGG:C06490" ; oboInOwl:hasDbXref "PDBeChem:W35" ; oboInOwl:hasExactSynonym "WIN VI" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-(5-(4-(4,5-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole" ; oboInOwl:hasRelatedSynonym "WIN 52035" ; oboInOwl:id "CHEBI:10028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN VI" . _:b241 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10028 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "WIN VI" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b242 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10028 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(5-(4-(4,5-Dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b243 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10028 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "WIN 52035" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18+,19-/m1/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-CEXWTWQISA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-11655" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_100281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "FDINZZIDFRBVPX-GUXCAODWSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11656" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23-/m1/s1" ; chebi:inchikey "URVFCIGKBRHLNA-AKIFATBCSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11657" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_100283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H20FN3O6S" ; chebi:inchi "InChI=1S/C23H20FN3O6S/c24-16-3-1-2-4-19(16)34(32,33)27-18-11-26-17(21(27)20(23(30)31)15(18)12-28)6-5-14(22(26)29)13-7-9-25-10-8-13/h1-10,15,18,20-21,28H,11-12H2,(H,30,31)/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "OZRBNBICDFVIFO-NXXWWENFSA-N" ; chebi:mass "485.487" ; chebi:monoisotopicmass "485.10568" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C(=O)N41)C5=CC=NC=C5)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11658" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11658" . obo:CHEBI_100284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22+/m0/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-SXTKRDDTSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11659" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21+/m1/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-GIVPXCGWSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-11660" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14-/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-IHRRRGAJSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-11661" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_100287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-XHCHQYRPSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11662" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11662" . obo:CHEBI_100288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H18FN3O2" ; chebi:inchi "InChI=1S/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23+,24+/m1/s1" ; chebi:inchikey "NFTCJLSEEOPUCW-SGNDLWITSA-N" ; chebi:mass "411.429" ; chebi:monoisotopicmass "411.13830" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CN=CC=C4)CO)F" ; oboInOwl:hasDbXref "LINCS:LSM-11663" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20+,21+/m0/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-PWRODBHTSA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11664" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_10029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C18H20Cl2N2O3" ; chebi:inchi "InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3" ; chebi:inchikey "JJDHAOLOHQTGMG-UHFFFAOYSA-N" ; chebi:mass "383.270" ; chebi:monoisotopicmass "382.08510" ; chebi:smiles "Cc1cc(CCCCCOc2c(Cl)cc(cc2Cl)C2=NCCO2)on1" ; oboInOwl:hasDbXref "KEGG:C06493" ; oboInOwl:hasDbXref "PDBeChem:W54" ; oboInOwl:hasExactSynonym "WIN54954" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole" ; oboInOwl:id "CHEBI:10029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "WIN54954" . _:b244 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10029 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "WIN54954" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b245 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23+,26+/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-BCHMZHATSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11665" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28+,31+/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-UCMKUVFTSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11666" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_100292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15-,19+/m0/s1" ; chebi:inchikey "AZDABJQXNZGANX-YZVOILCLSA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@H](CO2)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11667" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,23+/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-LUFCQUEKSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-11668" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m0/s1" ; chebi:inchikey "LHVPUDAVHZTECS-JKSBSHDWSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11669" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16+,19-,20+/m0/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-ACZWYYKOSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11670" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-RESCMLIYSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11671" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H32N2O7" ; chebi:inchi "InChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18-,19+,22-/m0/s1" ; chebi:inchikey "JZHWTQAESVMWQB-VWNVYAMZSA-N" ; chebi:mass "460.521" ; chebi:monoisotopicmass "460.22095" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11672" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide" . obo:CHEBI_100298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H32N6O4" ; chebi:inchi "InChI=1S/C26H32N6O4/c33-13-20-19-12-31-21(8-7-18(25(31)35)16-10-27-14-28-11-16)22(19)32(26(36)30-17-3-1-2-4-17)23(20)24(34)29-9-15-5-6-15/h7-8,10-11,14-15,17,19-20,22-23,33H,1-6,9,12-13H2,(H,29,34)(H,30,36)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "KFSHNWDAJUKWQL-YXPKMTABSA-N" ; chebi:mass "492.571" ; chebi:monoisotopicmass "492.24850" ; chebi:smiles "C1CCC(C1)NC(=O)N2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@H]([C@@H]2C(=O)NCC6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11673" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_100299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18+,19+/m0/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-QXAKKESOSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-11674" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2S,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_1003 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17083 ; owl:deprecated true . obo:CHEBI_100300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16-,19-/m0/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-BXWFABGCSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11675" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27+,29-/m1/s1" ; chebi:inchikey "ZIFILFAABSOBLR-PZFKOMAXSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11676" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_100302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28+/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-MUXSNRJPSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-11677" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_100303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32+,33-/m0/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-HUUCPIIISA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11678" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11678" . obo:CHEBI_100304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31-/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-MKGJDZFWSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11679" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21+/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-FBBABVLZSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11680" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_100306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "ADONDIFMYIEKMI-YZZKKUAISA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11681" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25+/m0/s1" ; chebi:inchikey "WQZORWGHLUMPIH-XHNVNVPESA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11682" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15+,16-/m0/s1" ; chebi:inchikey "IXKFMJFBYVYICU-XHSDSOJGSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11683" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3R,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O6" ; chebi:inchi "InChI=1S/C27H36N4O6/c1-18-14-31(26(33)11-20-7-6-10-28-13-20)19(2)16-37-23-9-8-21(29-25(32)17-35-4)12-22(23)27(34)30(3)15-24(18)36-5/h6-10,12-13,18-19,24H,11,14-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "JHQFRDYLQMIJCM-GLDPYIMESA-N" ; chebi:mass "512.599" ; chebi:monoisotopicmass "512.26348" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11684" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10031 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_72583 ; owl:deprecated true . obo:CHEBI_100310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20+,22+/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-MDRHQERFSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11685" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_100311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-CADBVGFASA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11686" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18+,20-/m0/s1" ; chebi:inchikey "QTFAPORQFWHYLC-CVAIRZPRSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11687" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25+,26-/m1/s1" ; chebi:inchikey "KKHGDJJULHRULI-UODIDJSMSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11688" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_100314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33ClN2O5S" ; chebi:inchi "InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "SHOKCNHESYLQAS-GGJMMHKRSA-N" ; chebi:mass "557.103" ; chebi:monoisotopicmass "556.17987" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11689" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11689" . obo:CHEBI_100315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23+/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-MDNUFGMLSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11690" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_100316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H36N4O5" ; chebi:inchi "InChI=1S/C29H36N4O5/c1-18-14-33(19(2)16-34)28(35)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-37-26(18)15-32(5)29(36)30-27-20(3)31-38-21(27)4/h6-13,18-19,26,34H,14-17H2,1-5H3,(H,30,36)/t18-,19+,26+/m0/s1" ; chebi:inchikey "SNXQORXMPHKSCQ-GNBJCERTSA-N" ; chebi:mass "520.621" ; chebi:monoisotopicmass "520.26857" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11691" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11691" . obo:CHEBI_100317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19-,21-/m1/s1" ; chebi:inchikey "ASLPZONUTGKWLH-SFHLNBCPSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11692" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30-/m0/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-PWWNZBMUSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11693" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11693" . obo:CHEBI_100319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18+,20-,23-/m1/s1" ; chebi:inchikey "MRLAOALNSBFOMY-RWSUSOHTSA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11694" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_10032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; chebi:charge "0" ; chebi:formula "C15H22O3" ; chebi:inchi "InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)12(13)6-5-11(9-16)15(14,18)10-17/h5,9-10,12,18H,4,6-8H2,1-3H3/t12-,14-,15+/m0/s1" ; chebi:inchikey "QGMWDUUHVVLHNP-AEGPPILISA-N" ; chebi:mass "250.334" ; chebi:monoisotopicmass "250.15689" ; chebi:smiles "CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@]2(O)C=O" ; oboInOwl:hasDbXref "CAS:62994-47-2" ; oboInOwl:hasDbXref "KEGG:C09748" ; oboInOwl:hasDbXref "KNApSAcK:C00003202" ; oboInOwl:hasExactSynonym "Warburganal" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Warburganal" . _:b246 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10032 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:62994-47-2" ; rdfs:label "KEGG COMPOUND" . _:b247 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10032 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Warburganal" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21-,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-VJMBVAOUSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11695" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11695" . obo:CHEBI_100321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17-,19-/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-IEZWGBDMSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11696" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19-,23+/m1/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-PWHSHALESA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11697" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27-/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-DFZDUAMZSA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11698" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "UIWWHFNWICLZIF-MFEFFIJZSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11699" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23-/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-KJXAQDMKSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11700" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18+,19-/m1/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-CEXWTWQISA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO)F" ; oboInOwl:hasDbXref "LINCS:LSM-11701" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26+,28+/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-DZXBDMBVSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11702" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19+,20-/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-YSTOQKLRSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11703" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25+/m0/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-YYULODDRSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11704" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_10033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b248 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b248 . _:b248 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87737 . _:b249 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b249 . _:b249 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87738 . _:b250 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b250 . _:b250 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33288 . _:b251 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b251 . _:b251 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50249 . _:b252 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b252 . _:b252 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50390 . _:b253 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b253 . _:b253 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_55347 . _:b254 rdf:type owl:Restriction . obo:CHEBI_10033 rdfs:subClassOf _:b254 . _:b254 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_50393 . obo:CHEBI_10033 obo:IAO_0000115 "A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice." ; oboInOwl:hasDbXref "Beilstein:1293536" ; oboInOwl:hasDbXref "CAS:81-81-2" ; oboInOwl:hasDbXref "DrugBank:DB00682" ; oboInOwl:hasDbXref "HMDB:HMDB0001935" ; oboInOwl:hasDbXref "KEGG:C01541" ; oboInOwl:hasDbXref "KEGG:D08682" ; oboInOwl:hasDbXref "PMID:13358873" ; oboInOwl:hasDbXref "PMID:15578879" ; oboInOwl:hasDbXref "PMID:18294321" ; oboInOwl:hasDbXref "PMID:19294412" ; oboInOwl:hasDbXref "PMID:24478171" ; oboInOwl:hasDbXref "PMID:24973057" ; oboInOwl:hasDbXref "PMID:25022924" ; oboInOwl:hasDbXref "PMID:25023204" ; oboInOwl:hasDbXref "PMID:25393417" ; oboInOwl:hasDbXref "PMID:25466603" ; oboInOwl:hasDbXref "PMID:25534862" ; oboInOwl:hasDbXref "PMID:25537751" ; oboInOwl:hasDbXref "PMID:25555316" ; oboInOwl:hasDbXref "PMID:25683623" ; oboInOwl:hasDbXref "PMID:25757926" ; oboInOwl:hasDbXref "PMID:25823787" ; oboInOwl:hasDbXref "PMID:25828628" ; oboInOwl:hasDbXref "PMID:25830869" ; oboInOwl:hasDbXref "PMID:25842804" ; 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oboInOwl:hasDbXref "ChemIDplus" . _:b304 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "rac-warfarin" ; oboInOwl:hasDbXref "ChEBI" . _:b305 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "racemic warfarin" ; oboInOwl:hasDbXref "ChEBI" . _:b306 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "warfarin" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b307 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "warfarina" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b308 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "warfarine" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b309 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10033 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "warfarinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_100330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22+,25-,27-/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-IIKILRQQSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11705" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23-,25+/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-PFATUAPWSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11706" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21-/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-WHSLLNHNSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11707" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31ClN2O7S" ; chebi:inchi "InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "KWUJCNXGEDOTIS-DGGJZMOXSA-N" ; chebi:mass "527.032" ; chebi:monoisotopicmass "526.15405" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11708" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23+,25+,27-/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-CBYRCLPRSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11709" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H32N2O5S" ; chebi:inchi "InChI=1S/C17H32N2O5S/c1-2-25(22,23)18-11-10-14-8-9-15(16(12-20)24-14)19-17(21)13-6-4-3-5-7-13/h13-16,18,20H,2-12H2,1H3,(H,19,21)/t14-,15-,16+/m1/s1" ; chebi:inchikey "NFMKQITUWMOCLJ-OAGGEKHMSA-N" ; chebi:mass "376.513" ; chebi:monoisotopicmass "376.20319" ; chebi:smiles "CCS(=O)(=O)NCC[C@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-11710" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide" . obo:CHEBI_100336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)17-3-5-18(6-4-17)34-27(38)35-19-7-8-23-21(10-19)22-11-20(39-24(15-36)26(22)40-23)12-25(37)33-14-16-2-1-9-32-13-16/h1-10,13,20,22,24,26,36H,11-12,14-15H2,(H,33,37)(H2,34,35,38)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "IMICHJYMUCZKDW-IFPZXYOKSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11711" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26-/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-ANSQWYIGSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasDbXref "LINCS:LSM-11712" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23+/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-QZMQVMSPSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11713" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H33FN4O7S" ; chebi:inchi "InChI=1S/C28H33FN4O7S/c1-17-14-33(41(36,37)22-9-6-20(29)7-10-22)18(2)16-39-25-13-21(30-27(34)24-12-19(3)40-31-24)8-11-23(25)28(35)32(4)15-26(17)38-5/h6-13,17-18,26H,14-16H2,1-5H3,(H,30,34)/t17-,18-,26-/m1/s1" ; chebi:inchikey "YFDKGQSBBJTRGV-UYPAYLBCSA-N" ; chebi:mass "588.650" ; chebi:monoisotopicmass "588.20540" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11714" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_10034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b310 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b310 . _:b310 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_50393 . _:b311 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b311 . _:b311 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87739 . _:b312 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b312 . _:b312 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_87740 . _:b313 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b313 . _:b313 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33288 . _:b314 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b314 . _:b314 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50249 . _:b315 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b315 . _:b315 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50390 . _:b316 rdf:type owl:Restriction . obo:CHEBI_10034 rdfs:subClassOf _:b316 . _:b316 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_55347 . obo:CHEBI_10034 obo:IAO_0000115 "A racemate comprising equal amounts of (R)- and (S)-warfarin sodium. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice." ; chebi:charge "0" ; chebi:formula "C19H15NaO4" ; chebi:mass "330.310" ; chebi:monoisotopicmass "330.08680" ; oboInOwl:hasDbXref "Beilstein:5469050" ; oboInOwl:hasDbXref "CAS:129-06-6" ; oboInOwl:hasDbXref "DrugBank:DB00682" ; oboInOwl:hasDbXref "KEGG:D00564" ; oboInOwl:hasDbXref "PMID:13263151" ; oboInOwl:hasDbXref "PMID:13358873" ; oboInOwl:hasDbXref "PMID:13475048" ; oboInOwl:hasDbXref "PMID:13829898" ; oboInOwl:hasDbXref "PMID:26096869" ; oboInOwl:hasDbXref "PMID:26161939" ; oboInOwl:hasDbXref "PMID:26209072" ; oboInOwl:hasDbXref "Reaxys:5469050" ; oboInOwl:hasDbXref "Wikipedia:Warfarin" ; oboInOwl:hasExactSynonym "sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+-)-Warfarin sodium" ; oboInOwl:hasRelatedSynonym "(+-)-warfarin sodium" ; oboInOwl:hasRelatedSynonym "(RS)-warfarin sodium" ; oboInOwl:hasRelatedSynonym "3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt" ; oboInOwl:hasRelatedSynonym "Coumadin" ; oboInOwl:hasRelatedSynonym "DL-warfarin sodium" ; oboInOwl:hasRelatedSynonym "Jantoven" ; oboInOwl:hasRelatedSynonym "Maveran" ; oboInOwl:hasRelatedSynonym "Sodium coumadin" ; oboInOwl:hasRelatedSynonym "Sodium warfarin" ; oboInOwl:hasRelatedSynonym "rac-warfarin sodium" ; oboInOwl:hasRelatedSynonym "racemic warfarin sodium" ; oboInOwl:id "CHEBI:10034" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "warfarin sodium" . _:b317 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:5469050" ; rdfs:label "Beilstein" . _:b318 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:129-06-6" ; rdfs:label "ChemIDplus" . _:b319 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13263151" ; rdfs:label "Europe PMC" . _:b320 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13358873" ; rdfs:label "Europe PMC" . _:b321 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13475048" ; rdfs:label "Europe PMC" . _:b322 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13829898" ; rdfs:label "Europe PMC" . _:b323 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26096869" ; rdfs:label "Europe PMC" . _:b324 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26161939" ; rdfs:label "Europe PMC" . _:b325 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26209072" ; rdfs:label "Europe PMC" . _:b326 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:5469050" ; rdfs:label "Reaxys" . _:b327 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "sodium 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-benzopyran-4-olate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b328 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-Warfarin sodium" ; oboInOwl:hasDbXref "ChemIDplus" . _:b329 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-warfarin sodium" ; oboInOwl:hasDbXref "ChEBI" . _:b330 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(RS)-warfarin sodium" ; oboInOwl:hasDbXref "ChEBI" . _:b331 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-(alpha-Acetonylbenzyl)-4-hydroxycoumarin sodium salt" ; oboInOwl:hasDbXref "ChemIDplus" . _:b332 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Coumadin" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b333 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "DL-warfarin sodium" ; oboInOwl:hasDbXref "ChEBI" . _:b334 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Jantoven" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b335 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Maveran" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b336 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sodium coumadin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b337 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sodium warfarin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b338 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "rac-warfarin sodium" ; oboInOwl:hasDbXref "ChEBI" . _:b339 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10034 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "racemic warfarin sodium" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H34N4O3" ; chebi:inchi "InChI=1S/C30H34N4O3/c1-32-26-18-34-25(8-7-23(29(34)36)22-9-13-31-14-10-22)28(32)27(24(26)19-35)30(37)33-15-11-21(12-16-33)17-20-5-3-2-4-6-20/h2-10,13-14,21,24,26-28,35H,11-12,15-19H2,1H3/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "QUSLSSXBBMTUKA-GDWZEYGFSA-N" ; chebi:mass "498.617" ; chebi:monoisotopicmass "498.26309" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC(CC5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11715" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11715" . obo:CHEBI_100341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H27FN4O4" ; chebi:inchi "InChI=1S/C27H27FN4O4/c1-2-11-30-25(34)24-20(15-33)19-14-31-22(10-9-17(26(31)35)16-6-5-12-29-13-16)23(19)32(24)27(36)18-7-3-4-8-21(18)28/h3-10,12-13,19-20,23-24,33H,2,11,14-15H2,1H3,(H,30,34)/t19-,20-,23+,24-/m1/s1" ; chebi:inchikey "LVLNEDZJLRSBBP-MYSJAJEPSA-N" ; chebi:mass "490.527" ; chebi:monoisotopicmass "490.20163" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]2N1C(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11716" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2-fluorophenyl)-oxomethyl]-3-(hydroxymethyl)-6-oxo-N-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26-/m0/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-ANSQWYIGSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11717" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C23H20N4O2" ; chebi:inchi "InChI=1S/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23+/m1/s1" ; chebi:inchikey "OPKRCVVELWLOIA-GIWBLDEGSA-N" ; chebi:mass "384.431" ; chebi:monoisotopicmass "384.15863" ; chebi:smiles "C1=CC=C(C=C1)CC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CN=CN=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11718" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H41N5O3S" ; chebi:inchi "InChI=1S/C30H41N5O3S/c1-30(2,3)39(38)35-21-24-20-25(29(37)34-16-14-33(6)15-17-34)31-28(27(24)26(35)12-18-36)23-11-7-9-22(19-23)10-8-13-32(4)5/h7,9,11,19-20,26,36H,12-18,21H2,1-6H3/t26-,39?/m1/s1" ; chebi:inchikey "QCNBEPOSGGBTKG-ZFPLWWAGSA-N" ; chebi:mass "551.745" ; chebi:monoisotopicmass "551.29301" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C#CCN(C)C)C(=O)N4CCN(CC4)C" ; oboInOwl:hasDbXref "LINCS:LSM-11719" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_100345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25-/m0/s1" ; chebi:inchikey "MFGGAADVNSTJDM-CEYNDMKZSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11720" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18-,23+/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-PNCHPQGNSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11721" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "MRLAOALNSBFOMY-VSCJKUSUSA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11722" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-IHMNZUQTSA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11723" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15+,18-/m1/s1" ; chebi:inchikey "YFRMSEXFMHDWES-LDDOYCOJSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11724" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10035 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17675 ; owl:deprecated true . obo:CHEBI_100350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17+,19+/m0/s1" ; chebi:inchikey "VBSGUKREVIUPDG-KVSKMBFKSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-11725" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_100351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H25F2N5O3" ; chebi:inchi "InChI=1S/C20H25F2N5O3/c21-13-3-5-15(22)17(9-13)24-20(29)23-16-6-4-14(30-19(16)11-28)7-8-27-10-18(25-26-27)12-1-2-12/h3,5,9-10,12,14,16,19,28H,1-2,4,6-8,11H2,(H2,23,24,29)/t14-,16+,19+/m1/s1" ; chebi:inchikey "HBSXUOUHADHDTK-ALKREAHSSA-N" ; chebi:mass "421.442" ; chebi:monoisotopicmass "421.19255" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3CC3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11726" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea" . obo:CHEBI_100352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H20FN3O5" ; chebi:inchi "InChI=1S/C24H20FN3O5/c25-17-6-2-1-5-14(17)15-7-8-18-21-20(24(32)33)16(12-29)19(11-27(18)23(15)31)28(21)22(30)13-4-3-9-26-10-13/h1-10,16,19-21,29H,11-12H2,(H,32,33)/t16-,19-,20+,21+/m0/s1" ; chebi:inchikey "UZVKIEFCDOWORH-VRXWPRPYSA-N" ; chebi:mass "449.432" ; chebi:monoisotopicmass "449.13870" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)C3=CN=CC=C3)C4=CC=C(C(=O)N41)C5=CC=CC=C5F)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11727" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11727" . obo:CHEBI_100353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12-/m1/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-IJLUTSLNSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11728" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "MWTQFHHONBVRQP-HZMVEIRTSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11729" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H18N2O2" ; chebi:inchi "InChI=1S/C20H18N2O2/c1-24-17-4-2-3-15(11-17)6-5-14-7-9-16(10-8-14)20-18(12-21)22-19(20)13-23/h2-4,7-11,18-20,22-23H,13H2,1H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "XRGAKVKGJSFEJA-AQNXPRMDSA-N" ; chebi:mass "318.370" ; chebi:monoisotopicmass "318.13683" ; chebi:smiles "COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11730" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31+/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-CYOUBLJMSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11731" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11731" . obo:CHEBI_100357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32-,45-/m1/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-PFFFZIHFSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11732" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13+,14+/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-SWHYSGLUSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-11733" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_100359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m1/s1" ; chebi:inchikey "NQAKFRRPCXCRFS-GPJMPKJXSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11734" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35748 ; rdfs:subClassOf obo:CHEBI_73702 . _:b340 rdf:type owl:Restriction . obo:CHEBI_10036 rdfs:subClassOf _:b340 . _:b340 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_24026 . _:b341 rdf:type owl:Restriction . obo:CHEBI_10036 rdfs:subClassOf _:b341 . _:b341 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35366 . obo:CHEBI_10036 obo:IAO_0000115 "A fatty acid ester resulting from the condensation of the carboxy group of a fatty acid with the alcoholic hydroxy group of a fatty alcohol." ; chebi:charge "0" ; chebi:formula "CO2R2" ; chebi:mass "44.010" ; chebi:monoisotopicmass "43.98983" ; chebi:smiles "[*]OC([*])=O" ; oboInOwl:hasAlternativeId "CHEBI:13221" ; oboInOwl:hasDbXref "KEGG:C01629" ; oboInOwl:hasDbXref "MetaCyc:Wax-Esters" ; oboInOwl:hasDbXref "PMID:12831900" ; oboInOwl:hasDbXref "PMID:17750349" ; oboInOwl:hasDbXref "PMID:18821728" ; oboInOwl:hasDbXref "PMID:21247555" ; oboInOwl:hasDbXref "PMID:21256496" ; oboInOwl:hasDbXref "PMID:21961954" ; oboInOwl:hasDbXref "PMID:22058425" ; oboInOwl:hasDbXref "PMID:22685145" ; oboInOwl:hasDbXref "PMID:22878160" ; oboInOwl:hasDbXref "PMID:23087036" ; oboInOwl:hasDbXref "PMID:23109878" ; oboInOwl:hasDbXref "PMID:23196873" ; oboInOwl:hasDbXref "PMID:23272127" ; oboInOwl:hasDbXref "Wikipedia:Wax_ester" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Wax esters" ; oboInOwl:hasRelatedSynonym "a wax ester" ; oboInOwl:id "CHEBI:10036" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wax ester" . _:b342 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12831900" ; rdfs:label "Europe PMC" . _:b343 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17750349" ; rdfs:label "Europe PMC" . _:b344 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18821728" ; rdfs:label "Europe PMC" . _:b345 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21247555" ; rdfs:label "Europe PMC" . _:b346 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21256496" ; rdfs:label "Europe PMC" . _:b347 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21961954" ; rdfs:label "Europe PMC" . _:b348 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22058425" ; rdfs:label "Europe PMC" . _:b349 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22685145" ; rdfs:label "Europe PMC" . _:b350 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22878160" ; rdfs:label "Europe PMC" . _:b351 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23087036" ; rdfs:label "Europe PMC" . _:b352 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23109878" ; rdfs:label "Europe PMC" . _:b353 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23196873" ; rdfs:label "Europe PMC" . _:b354 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23272127" ; rdfs:label "Europe PMC" . _:b355 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Wax esters" ; oboInOwl:hasDbXref "ChEBI" . _:b356 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10036 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "a wax ester" ; oboInOwl:hasDbXref "UniProt" . obo:CHEBI_100360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19-,25-/m1/s1" ; chebi:inchikey "IESMZGXEKVWDTA-MPCDZSKCSA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasDbXref "LINCS:LSM-11735" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-VDWGHMIBSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11736" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11736" . obo:CHEBI_100362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O7" ; chebi:inchi "InChI=1S/C27H34N4O7/c1-16-12-31(18(3)32)17(2)14-36-22-8-6-19(10-21(22)26(33)30(4)13-25(16)35-5)28-27(34)29-20-7-9-23-24(11-20)38-15-37-23/h6-11,16-17,25H,12-15H2,1-5H3,(H2,28,29,34)/t16-,17-,25-/m1/s1" ; chebi:inchikey "GAXPUQOVFGRPKG-RYUVBPIJSA-N" ; chebi:mass "526.583" ; chebi:monoisotopicmass "526.24275" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11737" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(1,3-benzodioxol-5-yl)urea" . obo:CHEBI_100363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28-,29+/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-HTCHUFIESA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11738" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c1-29(2)22(34)14-6-4-5-13(9-14)15-7-8-17-20-19(21(33)28-12-24(25,26)27)16(11-32)18(30(20)3)10-31(17)23(15)35/h4-9,16,18-20,32H,10-12H2,1-3H3,(H,28,33)/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "KOJKRQVKKNDDMT-IJXRJRJASA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)C(=O)N(C)C)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11739" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11739" . obo:CHEBI_100365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H26FN3O3" ; chebi:inchi "InChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m0/s1" ; chebi:inchikey "FZFLVCQZKXFTSN-MHOPESGUSA-N" ; chebi:mass "459.513" ; chebi:monoisotopicmass "459.19582" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3[C@H]([C@@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@@H]4N3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11740" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20-/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-YVWKXTFCSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11741" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O5" ; chebi:inchi "InChI=1S/C20H28N2O5/c1-21(2)13-3-4-17-15(9-13)16-10-14(26-18(12-23)20(16)27-17)11-19(24)22-5-7-25-8-6-22/h3-4,9,14,16,18,20,23H,5-8,10-12H2,1-2H3/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "DDTRWXBYMDYHEQ-PFSLXQJOSA-N" ; chebi:mass "376.447" ; chebi:monoisotopicmass "376.19982" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11742" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_100368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-HWMSKCLUSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11743" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-NOMHHCBYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11744" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_10037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18946 ; rdfs:subClassOf obo:CHEBI_26195 ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_72577 . _:b357 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b357 . _:b357 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b358 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b358 . _:b358 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b359 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b359 . _:b359 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50750 . _:b360 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b360 . _:b360 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_62868 . _:b361 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b361 . _:b361 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_68495 . _:b362 rdf:type owl:Restriction . obo:CHEBI_10037 rdfs:subClassOf _:b362 . _:b362 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_72578 . obo:CHEBI_10037 obo:IAO_0000115 "A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3." ; chebi:charge "0" ; chebi:formula "C16H10O7" ; chebi:inchi "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3" ; chebi:inchikey "XQDCKJKKMFWXGB-UHFFFAOYSA-N" ; chebi:mass "314.24640" ; chebi:monoisotopicmass "314.04265" ; chebi:smiles "COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21" ; oboInOwl:hasDbXref "CAS:524-12-9" ; oboInOwl:hasDbXref "KEGG:C10541" ; oboInOwl:hasDbXref "KNApSAcK:C00002585" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPK12090046" ; oboInOwl:hasDbXref "PMID:21315506" ; oboInOwl:hasDbXref "PMID:21463376" ; oboInOwl:hasDbXref "PMID:22198514" ; oboInOwl:hasDbXref "PMID:22204306" ; oboInOwl:hasDbXref "PMID:23076676" ; oboInOwl:hasDbXref "PMID:23141142" ; oboInOwl:hasDbXref "Reaxys:332398" ; oboInOwl:hasDbXref "Wikipedia:Wedelolactone" ; oboInOwl:hasExactSynonym "1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one" ; oboInOwl:hasExactSynonym "Wedelolactone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,8,9-trihydroxy-3-methoxycoumestan" ; oboInOwl:id "CHEBI:10037" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wedelolactone" . _:b363 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:524-12-9" ; rdfs:label "ChemIDplus" . _:b364 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:524-12-9" ; rdfs:label "KEGG COMPOUND" . _:b365 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPK12090046" ; rdfs:label "LIPID MAPS" . _:b366 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21315506" ; rdfs:label "Europe PMC" . _:b367 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21463376" ; rdfs:label "Europe PMC" . _:b368 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22198514" ; rdfs:label "Europe PMC" . _:b369 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22204306" ; rdfs:label "Europe PMC" . _:b370 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23076676" ; rdfs:label "Europe PMC" . _:b371 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23141142" ; rdfs:label "Europe PMC" . _:b372 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:332398" ; rdfs:label "Reaxys" . _:b373 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b374 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wedelolactone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b375 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10037 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,8,9-trihydroxy-3-methoxycoumestan" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29-/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-UETOGOEVSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11745" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11745" . obo:CHEBI_100371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22-/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-VWPQPMDRSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-11746" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_100372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-SMMRIJLZSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-11747" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11747" . obo:CHEBI_100373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12-,13+/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-ZDEQEGDKSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-11748" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H26F3N3O6" ; chebi:inchi "InChI=1S/C24H26F3N3O6/c1-34-15-5-2-13(3-6-15)29-23(33)30-14-4-7-19-17(8-14)18-9-16(35-20(11-31)22(18)36-19)10-21(32)28-12-24(25,26)27/h2-8,16,18,20,22,31H,9-12H2,1H3,(H,28,32)(H2,29,30,33)/t16-,18+,20-,22-/m0/s1" ; chebi:inchikey "SPGVKSWBRQENOP-UPSSIMKTSA-N" ; chebi:mass "509.476" ; chebi:monoisotopicmass "509.17737" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11749" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_100375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23+,26-/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-HMMJVGNDSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11750" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C21H23N3O6S" ; chebi:inchi "InChI=1S/C21H23N3O6S/c1-24-15-5-4-13(8-19(25)28-2)30-17(15)10-29-16-6-3-12(7-14(16)21(24)27)23-20(26)18-9-22-11-31-18/h3,6-7,9,11,13,15,17H,4-5,8,10H2,1-2H3,(H,23,26)/t13-,15+,17-/m1/s1" ; chebi:inchikey "UYHAGXSFPLQSEJ-UKPHBRMFSA-N" ; chebi:mass "445.491" ; chebi:monoisotopicmass "445.13076" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CN=CS4)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11751" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo(5-thiazolyl)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16-,17+/m1/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-ZACQAIPSSA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11752" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-14-17-37-15-4-5-16-37)36-31(30(27)29(38)13-18-39)26-8-6-7-25(19-26)24-11-9-23(21-34)10-12-24/h6-12,19-20,29,39H,4-5,13-18,22H2,1-3H3,(H,35,40)/t29-,42-/m0/s1" ; chebi:inchikey "KRBOYVJOHNAAFC-WHAQVLKXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11753" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17-,19-/m1/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-ZSFPCNDZSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11754" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_10038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_55465 . _:b376 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b376 . _:b376 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35718 . _:b377 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b377 . _:b377 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b378 rdf:type owl:Restriction . obo:CHEBI_10038 rdfs:subClassOf _:b378 . _:b378 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_18220 . obo:CHEBI_10038 obo:IAO_0000115 "A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and a prenyl group at position 6. It has been isolated from Ficus mucuso." ; chebi:charge "0" ; chebi:formula "C20H18O5" ; chebi:inchi "InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3" ; chebi:inchikey "KIMDVVKVNNSHGZ-UHFFFAOYSA-N" ; chebi:mass "338.35390" ; chebi:monoisotopicmass "338.11542" ; chebi:smiles "CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O" ; oboInOwl:hasAlternativeId "CHEBI:69747" ; oboInOwl:hasDbXref "CAS:51225-30-0" ; oboInOwl:hasDbXref "KEGG:C10542" ; oboInOwl:hasDbXref "KNApSAcK:C00002586" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPK12050188" ; oboInOwl:hasDbXref "PMID:12150799" ; oboInOwl:hasDbXref "PMID:16369693" ; oboInOwl:hasDbXref "PMID:21619045" ; oboInOwl:hasDbXref "PMID:22837700" ; oboInOwl:hasDbXref "PMID:23850732" ; oboInOwl:hasDbXref "Reaxys:1265128" ; oboInOwl:hasDbXref "Wikipedia:Wighteone" ; oboInOwl:hasExactSynonym "5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5,7,4'-trihydroxy-6-prenylisoflavone" ; oboInOwl:hasRelatedSynonym "5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one" ; oboInOwl:hasRelatedSynonym "erythrinin B" ; oboInOwl:id "CHEBI:10038" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wighteone" . _:b379 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:51225-30-0" ; rdfs:label "ChemIDplus" . _:b380 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:51225-30-0" ; rdfs:label "KEGG COMPOUND" . _:b381 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPK12050188" ; rdfs:label "LIPID MAPS" . _:b382 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12150799" ; rdfs:label "Europe PMC" . _:b383 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16369693" ; rdfs:label "Europe PMC" . _:b384 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21619045" ; rdfs:label "Europe PMC" . _:b385 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22837700" ; rdfs:label "Europe PMC" . _:b386 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23850732" ; rdfs:label "Europe PMC" . _:b387 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1265128" ; rdfs:label "Reaxys" . _:b388 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b389 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5,7,4'-trihydroxy-6-prenylisoflavone" ; oboInOwl:hasDbXref "LIPID_MAPS" . _:b390 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one" ; oboInOwl:hasDbXref "ChemIDplus" . _:b391 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10038 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "erythrinin B" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22+,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-HUDOHWAWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11755" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11755" . obo:CHEBI_100381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-PFPZSTESSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11756" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11756" . obo:CHEBI_100382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-SYZUXVNWSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11757" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11757" . obo:CHEBI_100383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12-/m0/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-SRVKXCTJSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11758" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-WWUYVNTOSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11759" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-SVMVAKDDSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11760" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18+,19+/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-NEWSRXKRSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-11761" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23-,24+/m0/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-FPVCRCAZSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11762" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19+/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-QXAKKESOSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11763" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-28(2,3)36(34)31-18-22-17-23(27(33)29-13-15-35-4)30-26(25(22)24(31)12-14-32)21-11-7-10-20(16-21)19-8-5-6-9-19/h7-8,10-11,16-17,24,32H,5-6,9,12-15,18H2,1-4H3,(H,29,33)/t24-,36-/m1/s1" ; chebi:inchikey "RKRNHXQJFJMDQI-GPJMPKJXSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-11764" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C43H49NO19" ; chebi:inchi "InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32-,33+,34-,35+,39?,40+,41+,42-,43+/m1/s1" ; chebi:inchikey "XQDBHSNYTFRCNJ-OURLNJDISA-N" ; chebi:mass "883.846" ; chebi:monoisotopicmass "883.28988" ; chebi:smiles "CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)c3cccnc3CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)c3ccccc3)[C@@H]2OC(C)=O)[C@]1(C)O" ; oboInOwl:hasDbXref "CAS:37239-51-3" ; oboInOwl:hasDbXref "KEGG:C09992" ; oboInOwl:hasDbXref "KNApSAcK:C00001987" ; oboInOwl:hasExactSynonym "Wilfordine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wilfordine" . _:b392 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10039 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:37239-51-3" ; rdfs:label "KEGG COMPOUND" . _:b393 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10039 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wilfordine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18-,19+/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-QRVBRYPASA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11765" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22-/m1/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-YPAWHYETSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@H]3C=C[C@H]([C@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11766" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_100392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24+,26-/m0/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-JFXHBBLLSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11767" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)20-10-8-18(23)9-11-20)22(32-4)14-25(3)33(28,29)21-7-5-6-19(24)12-21/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "ZQAIRSWGSLNDJM-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11768" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H25FN2O5" ; chebi:inchi "InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "YQHVQTZYSLOMSV-MMKMLUHNSA-N" ; chebi:mass "440.465" ; chebi:monoisotopicmass "440.17475" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]2N1C(=O)C5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11769" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29-/m0/s1" ; chebi:inchikey "INXMEFHWZGRULI-CTWZREHQSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11770" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11770" . obo:CHEBI_100396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22-,24-,26+,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-IELIKYLDSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11771" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-GSHUGGBRSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11772" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m0/s1" ; chebi:inchikey "WJAYFAVILWHXQO-LPCUMCRCSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11773" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18-,25+/m0/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-DPOKWSEZSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11774" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_1004 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28155 ; owl:deprecated true . obo:CHEBI_10040 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_69120 ; owl:deprecated true . obo:CHEBI_100400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22+/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-MCFFVMPBSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11775" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-5-23(33)31-24-19(20(16-32)25(31)26(34)28-13-8-14-29(2)3)15-30-21(24)12-11-18(27(30)35)17-9-6-7-10-22(17)36-4/h6-7,9-12,19-20,24-25,32H,5,8,13-16H2,1-4H3,(H,28,34)/t19-,20-,24+,25-/m0/s1" ; chebi:inchikey "GDXCTQXPLLMICC-UIYANEJRSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@@H]([C@H]1C(=O)NCCCN(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11776" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28+/m0/s1" ; chebi:inchikey "SECMWWJMRQEFAV-PAUTXSKSSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11777" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23+,30+/m0/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-DDFCPOBKSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11778" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11778" . obo:CHEBI_100404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46969 ; chebi:charge "0" ; chebi:formula "C33H41N3O4" ; chebi:inchi "InChI=1S/C33H41N3O4/c1-23-18-36(24(2)21-37)33(38)29-12-8-7-11-28(29)27-10-6-5-9-26(27)22-40-32(23)20-34(3)19-25-13-14-30-31(17-25)39-16-15-35(30)4/h5-14,17,23-24,32,37H,15-16,18-22H2,1-4H3/t23-,24-,32-/m0/s1" ; chebi:inchikey "LYDBHCHWWOEKQE-TWVHRYOLSA-N" ; chebi:mass "543.698" ; chebi:monoisotopicmass "543.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC5=C(C=C4)N(CCO5)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11779" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11779" . obo:CHEBI_100405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C25H27F2N3O5" ; chebi:inchi "InChI=1S/C25H27F2N3O5/c1-3-22(31)28-14-7-10-20-16(11-14)25(33)30(2)19-9-8-15(35-21(19)13-34-20)12-23(32)29-24-17(26)5-4-6-18(24)27/h4-7,10-11,15,19,21H,3,8-9,12-13H2,1-2H3,(H,28,31)(H,29,32)/t15-,19+,21-/m1/s1" ; chebi:inchikey "HLFXQWPRBSRVAN-MFMILTCTSA-N" ; chebi:mass "487.497" ; chebi:monoisotopicmass "487.19188" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NC4=C(C=CC=C4F)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11780" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]propanamide" . obo:CHEBI_100406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19-,20+/m0/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-CPLUKWAASA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11781" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22-/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-CEMLEFRQSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-11782" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23+/m1/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-ICPLQIHGSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-11783" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-NTTHZYIWSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-11784" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18946 ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_32955 ; rdfs:subClassOf obo:CHEBI_35681 ; rdfs:subClassOf obo:CHEBI_36854 ; rdfs:subClassOf obo:CHEBI_50403 ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_62846 ; rdfs:subClassOf obo:CHEBI_74716 . _:b394 rdf:type owl:Restriction . obo:CHEBI_10041 rdfs:subClassOf _:b394 . _:b394 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_10041 obo:IAO_0000115 "A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity." ; chebi:charge "0" ; chebi:formula "C28H38O6" ; chebi:inchi "InChI=1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1" ; chebi:inchikey "SASUFNRGCZMRFD-JCUIILOWSA-N" ; chebi:mass "470.59770" ; chebi:monoisotopicmass "470.26684" ; chebi:smiles "CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C" ; oboInOwl:hasAlternativeId "CHEBI:66324" ; oboInOwl:hasDbXref "CAS:30655-48-2" ; oboInOwl:hasDbXref "KEGG:C08842" ; oboInOwl:hasDbXref "KNApSAcK:C00003677" ; oboInOwl:hasDbXref "PMID:1125091" ; oboInOwl:hasDbXref "PMID:17103214" ; oboInOwl:hasDbXref "PMID:17417907" ; oboInOwl:hasDbXref "PMID:20836852" ; oboInOwl:hasDbXref "PMID:22479585" ; oboInOwl:hasDbXref "PMID:22695853" ; oboInOwl:hasDbXref "Reaxys:5173298" ; oboInOwl:hasExactSynonym "(4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione" ; oboInOwl:hasExactSynonym "Withanolide D" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4beta,20alpha-dihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide" ; oboInOwl:id "CHEBI:10041" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "withanolide D" . _:b395 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30655-48-2" ; rdfs:label "ChemIDplus" . _:b396 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30655-48-2" ; rdfs:label "KEGG COMPOUND" . _:b397 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:1125091" ; rdfs:label "Europe PMC" . _:b398 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17103214" ; rdfs:label "Europe PMC" . _:b399 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17417907" ; rdfs:label "Europe PMC" . _:b400 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20836852" ; rdfs:label "Europe PMC" . _:b401 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22479585" ; rdfs:label "Europe PMC" . _:b402 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22695853" ; rdfs:label "Europe PMC" . _:b403 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:5173298" ; rdfs:label "Reaxys" . _:b404 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b405 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Withanolide D" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b406 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10041 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4beta,20alpha-dihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23-/m0/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-WPYKKVEZSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-11785" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20+/m0/s1" ; chebi:inchikey "APKXKRHWPGHKNH-NLWGTHIKSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)CC2=NC=CS2)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11786" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32ClF3N4O6S" ; chebi:inchi "InChI=1S/C26H32ClF3N4O6S/c1-16-12-34(41(37,38)15-26(28,29)30)17(2)14-40-22-10-9-18(11-19(22)24(35)33(3)13-23(16)39-4)31-25(36)32-21-8-6-5-7-20(21)27/h5-11,16-17,23H,12-15H2,1-4H3,(H2,31,32,36)/t16-,17-,23-/m1/s1" ; chebi:inchikey "LAYZWFLVYRXBBA-SEPYTNNBSA-N" ; chebi:mass "621.071" ; chebi:monoisotopicmass "620.16832" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)CC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11787" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2,2,2-trifluoroethylsulfonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31+/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-ISTJGCCRSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11788" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25+/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-VTZPFEBOSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11789" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-YDXRHMNESA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11790" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_100416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24+/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-MZLICYQSSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11791" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_100417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15-,18+/m0/s1" ; chebi:inchikey "YFRMSEXFMHDWES-JTOWHCCKSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-11792" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_100418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21N5O2" ; chebi:inchi "InChI=1S/C15H21N5O2/c16-12-5-4-11(22-15(12)10-21)6-8-20-9-14(18-19-20)13-3-1-2-7-17-13/h1-3,7,9,11-12,15,21H,4-6,8,10,16H2/t11-,12-,15-/m0/s1" ; chebi:inchikey "UZCFPAZMYSFTCU-HUBLWGQQSA-N" ; chebi:mass "303.360" ; chebi:monoisotopicmass "303.16952" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=N3)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-11793" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(2R,3S,6S)-3-amino-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-2-oxanyl]methanol" . obo:CHEBI_100419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18-,20-,21+/m1/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-UKAVVXHISA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11794" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_10042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C12H12N2" ; chebi:inchi "InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-13-14-8-4-7-12(11)14/h1-3,5-6,9H,4,7-8H2" ; chebi:inchikey "FOJCJLSJZFQCID-UHFFFAOYSA-N" ; chebi:mass "184.238" ; chebi:monoisotopicmass "184.10005" ; chebi:smiles "C1Cc2c(cnn2C1)-c1ccccc1" ; oboInOwl:hasDbXref "CAS:10183-74-1" ; oboInOwl:hasDbXref "KEGG:C10625" ; oboInOwl:hasDbXref "KNApSAcK:C00002369" ; oboInOwl:hasExactSynonym "Withasomnine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Withasomnine" . _:b407 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10042 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:10183-74-1" ; rdfs:label "KEGG COMPOUND" . _:b408 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10042 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Withasomnine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17-,18+/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-OLMNPRSZSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11795" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-YDIMBITNSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11796" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18-,25+/m1/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-GAKIBJFNSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-11797" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H41N3O6" ; chebi:inchi "InChI=1S/C29H41N3O6/c1-32-24-9-8-22(16-27(33)30-17-19-5-3-2-4-6-19)38-26(24)18-37-25-10-7-21(15-23(25)29(32)35)31-28(34)20-11-13-36-14-12-20/h7,10,15,19-20,22,24,26H,2-6,8-9,11-14,16-18H2,1H3,(H,30,33)(H,31,34)/t22-,24-,26+/m1/s1" ; chebi:inchikey "JZXYXAGICCVVHG-NOOIUNMQSA-N" ; chebi:mass "527.653" ; chebi:monoisotopicmass "527.29954" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11798" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YCRNBWNJSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11799" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31+/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-BHUVWSLTSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11800" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11800" . obo:CHEBI_100426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24+,26+,28-/m1/s1" ; chebi:inchikey "AJGJMULVCJFZBU-PWKYGKGFSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11801" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26-,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-YFSMRKRJSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-11802" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25+/m1/s1" ; chebi:inchikey "WQZORWGHLUMPIH-RRQZXNHTSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11803" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21-,23-/m0/s1" ; chebi:inchikey "MAZJZTZSELFTOO-HARLFGEKSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11804" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_10043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25401 ; rdfs:subClassOf obo:CHEBI_38686 . _:b409 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b409 . _:b409 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b410 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b410 . _:b410 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48422 . _:b411 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b411 . _:b411 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50629 . _:b412 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b412 . _:b412 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b413 rdf:type owl:Restriction . obo:CHEBI_10043 rdfs:subClassOf _:b413 . _:b413 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_78338 . obo:CHEBI_10043 obo:IAO_0000115 "A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8." ; chebi:charge "0" ; chebi:formula "C16H12O5" ; chebi:inchi "InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3" ; chebi:inchikey "XLTFNNCXVBYBSX-UHFFFAOYSA-N" ; chebi:mass "284.26350" ; chebi:monoisotopicmass "284.06847" ; chebi:smiles "COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1" ; oboInOwl:hasDbXref "Beilstein:287152" ; oboInOwl:hasDbXref "CAS:632-85-9" ; oboInOwl:hasDbXref "KEGG:C10197" ; oboInOwl:hasDbXref "KNApSAcK:C00001111" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPK12111330" ; oboInOwl:hasDbXref "MetaCyc:CPD-12727" ; oboInOwl:hasDbXref "PMID:10724177" ; oboInOwl:hasDbXref "PMID:11322923" ; oboInOwl:hasDbXref "PMID:19438509" ; oboInOwl:hasDbXref "PMID:22419433" ; oboInOwl:hasDbXref "PMID:23371323" ; oboInOwl:hasDbXref "Reaxys:287152" ; oboInOwl:hasDbXref "Wikipedia:Wogonin" ; oboInOwl:hasExactSynonym "5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one" ; oboInOwl:hasExactSynonym "Wogonin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5,7-Dihydroxy-8-methoxyflavone" ; oboInOwl:hasRelatedSynonym "5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one" ; oboInOwl:hasRelatedSynonym "Norwogonin 8-methyl ether" ; oboInOwl:id "CHEBI:10043" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "wogonin" . _:b414 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:287152" ; rdfs:label "ChemIDplus" . _:b415 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:632-85-9" ; rdfs:label "ChemIDplus" . _:b416 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:632-85-9" ; rdfs:label "KEGG COMPOUND" . _:b417 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPK12111330" ; rdfs:label "LIPID MAPS" . _:b418 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10724177" ; rdfs:label "Europe PMC" . _:b419 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11322923" ; rdfs:label "Europe PMC" . _:b420 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19438509" ; rdfs:label "Europe PMC" . _:b421 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22419433" ; rdfs:label "Europe PMC" . _:b422 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23371323" ; rdfs:label "Europe PMC" . _:b423 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:287152" ; rdfs:label "Reaxys" . _:b424 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b425 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wogonin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b426 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5,7-Dihydroxy-8-methoxyflavone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b427 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one" ; oboInOwl:hasDbXref "ChemIDplus" . _:b428 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10043 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Norwogonin 8-methyl ether" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20+,26+/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-OUDXUNEISA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11805" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11805" . obo:CHEBI_100431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m1/s1" ; chebi:inchikey "SLFKQKCTISPXPS-KURKYZTESA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11806" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11806" . obo:CHEBI_100432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C15H21F3N2O4" ; chebi:inchi "InChI=1S/C15H21F3N2O4/c16-15(17,18)8-19-13(22)6-10-3-4-11(12(7-21)24-10)20-14(23)5-9-1-2-9/h3-4,9-12,21H,1-2,5-8H2,(H,19,22)(H,20,23)/t10-,11-,12+/m0/s1" ; chebi:inchikey "QQIOQVYYWJVUEN-SDDRHHMPSA-N" ; chebi:mass "350.334" ; chebi:monoisotopicmass "350.14534" ; chebi:smiles "C1CC1CC(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11807" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide" . obo:CHEBI_100433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16+,17-/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-BBWFWOEESA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-11808" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-27(2,3)34(33)30-17-21-16-22(26(32)29(4)5)28-25(24(21)23(30)13-14-31)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,6-7,10,13-14,17H2,1-5H3/t23-,34-/m1/s1" ; chebi:inchikey "PGDAOJJPUPXGSS-GRMGDBHTSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11809" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c30-13-18-20-12-28-19(8-7-17(25(28)33)16-2-1-9-26-11-16)22(29(20)24(32)15-5-6-15)21(18)23(31)27-10-14-3-4-14/h1-2,7-9,11,14-15,18,20-22,30H,3-6,10,12-13H2,(H,27,31)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "YVZLAXVGGRSZTP-YJMBLLCNSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "C1CC1CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2N3C(=O)C6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11810" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11810" . obo:CHEBI_100436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-13-10-24-14(2)12-32-19-9-17(25-23(30)26-21-15(3)27-33-16(21)4)7-8-18(19)22(29)28(5)11-20(13)31-6/h7-9,13-14,20,24H,10-12H2,1-6H3,(H2,25,26,30)/t13-,14+,20+/m1/s1" ; chebi:inchikey "RYHWAKGNXXOPFN-CKNLXJGOSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11811" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18-/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-KSZLIROESA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11812" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_100438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-2-20-18(24)9-14-6-7-16-17(27-14)12-26-11-13(23)10-22(16)19(25)15-5-3-4-8-21-15/h3-5,8,13-14,16-17,23H,2,6-7,9-12H2,1H3,(H,20,24)/t13-,14-,16-,17+/m0/s1" ; chebi:inchikey "XTMFCURZJJHNFP-NXNVCVFFSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC=CC=N3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11813" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-RZIGYZOXSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11814" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11814" . obo:CHEBI_10044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26848 ; chebi:charge "0" ; chebi:formula "C22H24O6" ; chebi:inchi "InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+" ; chebi:inchikey "HTBWBWWADZJXID-TXEJJXNPSA-N" ; chebi:mass "384.423" ; chebi:monoisotopicmass "384.15729" ; chebi:smiles "COc1c2OCOc2cc2C[C@H](C)[C@H](C)Cc3cc4OCOc4c(OC)c3-c12" ; oboInOwl:hasDbXref "CAS:61301-33-5" ; oboInOwl:hasDbXref "KEGG:C10893" ; oboInOwl:hasDbXref "KNApSAcK:C00002634" ; oboInOwl:hasExactSynonym "Wuweizisu C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Schizandrin C" ; oboInOwl:id "CHEBI:10044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wuweizisu C" . _:b429 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10044 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:61301-33-5" ; rdfs:label "KEGG COMPOUND" . _:b430 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10044 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wuweizisu C" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b431 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10044 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Schizandrin C" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H41N5O3S" ; chebi:inchi "InChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-14-17-38-15-5-4-6-16-38)37-32(31(28)30(39)13-18-40)27-12-8-11-26(20-27)25-10-7-9-24(19-25)22-35/h7-12,19-21,30,40H,4-6,13-18,23H2,1-3H3,(H,36,41)/t30-,43-/m1/s1" ; chebi:inchikey "APUVMPYXYOEPCI-QHKNHCAJSA-N" ; chebi:mass "599.788" ; chebi:monoisotopicmass "599.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11815" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18+,24-/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-RHGYRFJNSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11816" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11816" . obo:CHEBI_100442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28-/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-DEQMQSMYSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11817" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11817" . obo:CHEBI_100443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IUKKYPGJSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11818" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "BBROUNWBLSFMDY-WOVHNISZSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11819" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11819" . obo:CHEBI_100445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H30N4O4S" ; chebi:inchi "InChI=1S/C25H30N4O4S/c1-15-12-26-16(2)14-33-20-11-17(9-10-18(20)25(31)29(3)13-21(15)32-4)27-23(30)24-28-19-7-5-6-8-22(19)34-24/h5-11,15-16,21,26H,12-14H2,1-4H3,(H,27,30)/t15-,16+,21-/m0/s1" ; chebi:inchikey "HNVRJEXAKGMODG-MRUHUIDDSA-N" ; chebi:mass "482.597" ; chebi:monoisotopicmass "482.19878" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11820" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-RMRNXIRCSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11821" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17-,21-/m1/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-CBGDNZLLSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11822" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-WFHOOFKDSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11823" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20+,22+,24-/m0/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-ZUAOHOGDSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11824" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_10045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48847 ; chebi:charge "0" ; chebi:formula "C15H14O4" ; chebi:inchi "InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9+" ; chebi:inchikey "NQZCQIDFBYCBAU-JHGYFVHDSA-N" ; chebi:mass "258.270" ; chebi:monoisotopicmass "258.08921" ; chebi:smiles "CC\\C=C/C#CC(=O)c1ccc(\\C=C\\C(=O)OC)o1" ; oboInOwl:hasDbXref "CAS:20079-30-5" ; oboInOwl:hasDbXref "KEGG:C08465" ; oboInOwl:hasDbXref "KNApSAcK:C00001299" ; oboInOwl:hasExactSynonym "Wyerone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wyerone" . _:b432 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10045 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:20079-30-5" ; rdfs:label "KEGG COMPOUND" . _:b433 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10045 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wyerone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m0/s1" ; chebi:inchikey "JVYCUASVIANWPE-RCCFBDPRSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-11825" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10+,11-/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-VPOLOUISSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-11826" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-YTZAWJCFSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11827" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-IECBHUPTSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11828" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11828" . obo:CHEBI_100454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)22-12-11-20(14-24(22)35-17-19(31)3)29-26(32)21-9-7-8-10-23(21)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "HGUJNTNFLCOWHI-HHJKRLRDSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11829" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-,23+/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-LUFCQUEKSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11830" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H28N4O3" ; chebi:inchi "InChI=1S/C30H28N4O3/c35-19-24-26-18-33-25(7-4-8-27(33)36)29(34(26)17-20-13-15-31-16-14-20)28(24)30(37)32-23-11-9-22(10-12-23)21-5-2-1-3-6-21/h1-16,24,26,28-29,35H,17-19H2,(H,32,37)/t24-,26-,28+,29+/m1/s1" ; chebi:inchikey "QNNNGHWPHFGBDZ-DOYJQPJHSA-N" ; chebi:mass "492.569" ; chebi:monoisotopicmass "492.21614" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11831" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11831" . obo:CHEBI_100457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-KGVIQGDOSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11832" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10-,11+/m1/s1" ; chebi:inchikey "RKCCKXKETMZMSY-MXWKQRLJSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-11833" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_100459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26+/m0/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-LZJCXSABSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11834" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11834" . obo:CHEBI_10046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48847 ; chebi:charge "0" ; chebi:formula "C14H12O4" ; chebi:inchi "InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3-,10-8+" ; chebi:inchikey "ZLZFXXJOALTVDA-JWAQTBJPSA-N" ; chebi:mass "244.243" ; chebi:monoisotopicmass "244.07356" ; chebi:smiles "CC\\C=C/C#CC(=O)c1ccc(\\C=C\\C(O)=O)o1" ; oboInOwl:hasDbXref "CAS:54954-14-2" ; oboInOwl:hasDbXref "KEGG:C08466" ; oboInOwl:hasDbXref "KNApSAcK:C00001300" ; oboInOwl:hasExactSynonym "Wyerone acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Wyerone acid" . _:b434 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10046 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:54954-14-2" ; rdfs:label "KEGG COMPOUND" . _:b435 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10046 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Wyerone acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H37N5O5" ; chebi:inchi "InChI=1S/C25H37N5O5/c31-16-18-20-15-29-19(7-3-8-21(29)32)23(30(20)25(34)27-17-5-1-2-6-17)22(18)24(33)26-9-4-10-28-11-13-35-14-12-28/h3,7-8,17-18,20,22-23,31H,1-2,4-6,9-16H2,(H,26,33)(H,27,34)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "RTKWEIPARALZJI-NEKRIBJYSA-N" ; chebi:mass "487.593" ; chebi:monoisotopicmass "487.27947" ; chebi:smiles "C1CCC(C1)NC(=O)N2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11835" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11835" . obo:CHEBI_100461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_59799 ; rdfs:subClassOf obo:CHEBI_78801 . _:b436 rdf:type owl:Restriction . obo:CHEBI_100461 rdfs:subClassOf _:b436 . _:b436 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . obo:CHEBI_100461 obo:IAO_0000115 "A monothioketal formed from 5-chloro-1H-indole-2,3-dione. It has been studied for its anticonvulsant properties." ; chebi:charge "0" ; chebi:formula "C10H8ClNO2S" ; chebi:inchi "InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)10(9(13)12-8)14-3-4-15-10/h1-2,5H,3-4H2,(H,12,13)" ; chebi:inchikey "WLGQOYSRXRIQBG-UHFFFAOYSA-N" ; chebi:mass "241.69400" ; chebi:monoisotopicmass "240.99643" ; chebi:smiles "Clc1ccc2NC(=O)C3(OCCS3)c2c1" ; oboInOwl:hasDbXref "Beilstein:7094661" ; oboInOwl:hasDbXref "PMID:3361568" ; oboInOwl:hasExactSynonym "5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-chlorospiro[2,3-dihydro-1H-indole-3,2'-(dihydro[1,3]oxathiolane)]-2-one" ; oboInOwl:id "CHEBI:100461" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one" . _:b437 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100461 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:7094661" ; rdfs:label "Beilstein" . _:b438 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100461 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:3361568" ; rdfs:label "ChEMBL" . _:b439 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100461 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b440 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100461 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-chlorospiro[2,3-dihydro-1H-indole-3,2'-(dihydro[1,3]oxathiolane)]-2-one" ; oboInOwl:hasDbXref "ChEMBL" . obo:CHEBI_100462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25970 ; rdfs:subClassOf obo:CHEBI_51307 ; rdfs:subClassOf obo:CHEBI_64611 . _:b441 rdf:type owl:Restriction . obo:CHEBI_100462 rdfs:subClassOf _:b441 . _:b441 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17859 . _:b442 rdf:type owl:Restriction . obo:CHEBI_100462 rdfs:subClassOf _:b442 . _:b442 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_131618 . obo:CHEBI_100462 obo:IAO_0000115 "A diester obtained by formal condensation of the carboxy groups of glutaric acid with the hydroxy groups of (S)-1,2-di-O-dodecanylglycerol and 7-hydroxy-6-methylphenoxazin-3-one." ; chebi:charge "0" ; chebi:formula "C45H69NO8" ; chebi:inchi "InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-41-30-29-40-45(36(41)3)54-42-33-37(47)27-28-39(42)46-40/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3/t38-/m0/s1" ; chebi:inchikey "JEGLJLCZRAWOBI-LHEWISCISA-N" ; chebi:mass "752.033" ; chebi:monoisotopicmass "751.50232" ; chebi:smiles "[C@H](OCCCCCCCCCCCC)(COCCCCCCCCCCCC)COC(CCCC(OC=1C(=C2C(=CC1)N=C3C(O2)=CC(C=C3)=O)C)=O)=O" ; oboInOwl:hasExactSynonym "(2S)-2,3-bis(dodecyloxy)propyl 6-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100462" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester" . _:b443 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100462 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(2S)-2,3-bis(dodecyloxy)propyl 6-methyl-3-oxo-3H-phenoxazin-7-yl pentanedioate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-VPBXCIAMSA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-11837" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20-,21+/m1/s1" ; chebi:inchikey "VUOOERVJSWLFKU-NRSPTQNISA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-11838" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H29N3O3" ; chebi:inchi "InChI=1S/C24H29N3O3/c28-15-19-18-14-27-20(10-5-11-21(27)29)22(18)26(13-12-16-6-2-1-3-7-16)23(19)24(30)25-17-8-4-9-17/h1-3,5-7,10-11,17-19,22-23,28H,4,8-9,12-15H2,(H,25,30)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "TURNTDXZFQQILD-PJIZGREPSA-N" ; chebi:mass "407.506" ; chebi:monoisotopicmass "407.22089" ; chebi:smiles "C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11839" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-(2-phenylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "IQRVCTXELZIWDH-QHAWAJNXSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11840" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20+/m1/s1" ; chebi:inchikey "RULZJLKRRRCHIA-HLIPFELVSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11841" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19-,21-/m0/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-MRCYXTNMSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-11842" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22-,24-,26+/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-DBSKKGOSSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11843" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_10047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C11H11N2O2X" ; chebi:mass "203.218" ; chebi:monoisotopicmass "203.08205" ; chebi:smiles "OC(=O)[C@H](Cc1c[nH]c2ccccc12)N*" ; oboInOwl:hasDbXref "KEGG:C01365" ; oboInOwl:hasExactSynonym "X-Trp" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "X-Trp" . _:b444 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10047 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "X-Trp" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25-,27+/m0/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-IDNYDCHQSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11844" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24+,30+/m1/s1" ; chebi:inchikey "BENJSVFNXVDSQO-QEGDFHJFSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11845" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11845" . obo:CHEBI_100472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20+,23-/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-ISHFTEKXSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11846" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_100473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22+/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-ZNLUXHQJSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-11847" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H25N3O5S" ; chebi:inchi "InChI=1S/C16H25N3O5S/c1-2-25(22,23)19-14-7-6-13(24-15(14)11-20)9-16(21)18-10-12-5-3-4-8-17-12/h3-5,8,13-15,19-20H,2,6-7,9-11H2,1H3,(H,18,21)/t13-,14-,15-/m0/s1" ; chebi:inchikey "MEPVQKQIDHVRNZ-KKUMJFAQSA-N" ; chebi:mass "371.454" ; chebi:monoisotopicmass "371.15149" ; chebi:smiles "CCS(=O)(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=N2" ; oboInOwl:hasDbXref "LINCS:LSM-11848" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-23-11-14-35-15-12-23)37-31(30(27)29(38)13-16-39)26-6-4-5-25(17-26)24-9-7-22(19-34)8-10-24/h4-12,14-15,17-18,29,39H,13,16,20-21H2,1-3H3,(H,36,40)/t29-,42-/m0/s1" ; chebi:inchikey "SIVBIYNXLDZPKJ-WHAQVLKXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11849" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20-,22-/m1/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-SYYKKAFVSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11850" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_100477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22-/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-DRSNIGMVSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11851" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24+/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-OJLQRUNKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11852" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19+,21+/m1/s1" ; chebi:inchikey "PZXWXIAUASIELU-LMNJBCLMSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11853" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_10048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37038 ; rdfs:subClassOf obo:CHEBI_53012 . _:b445 rdf:type owl:Restriction . obo:CHEBI_10048 rdfs:subClassOf _:b445 . _:b445 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . _:b446 rdf:type owl:Restriction . obo:CHEBI_10048 rdfs:subClassOf _:b446 . _:b446 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_59884 . obo:CHEBI_10048 obo:IAO_0000115 "A purine ribonucleoside 5'-diphosphate having xanthosine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C10H14N4O12P2" ; chebi:inchi "InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "YMOPVQQBWLGDOD-UUOKFMHZSA-N" ; chebi:mass "444.18530" ; chebi:monoisotopicmass "444.00835" ; chebi:smiles "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O" ; oboInOwl:hasDbXref "Beilstein:7400006" ; oboInOwl:hasDbXref "Patent:US4880918" ; oboInOwl:hasExactSynonym "xanthosine 5'-(trihydrogen diphosphate)" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10048" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "XDP" . _:b447 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10048 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:7400006" ; rdfs:label "Beilstein" . _:b448 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10048 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "xanthosine 5'-(trihydrogen diphosphate)" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14+,15-/m0/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-ZNMIVQPWSA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasDbXref "LINCS:LSM-11854" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H35N3O6" ; chebi:inchi "InChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29-/m1/s1" ; chebi:inchikey "APWUXYFXBMGRIO-HNMNOHOESA-N" ; chebi:mass "545.627" ; chebi:monoisotopicmass "545.25259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11855" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11855" . obo:CHEBI_100482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26+,28-/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-HAGKMHAYSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-11856" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H28FN3O5" ; chebi:inchi "InChI=1S/C25H28FN3O5/c1-28(2)23(30)13-18-9-10-20-22(34-18)14-33-21-11-8-17(12-19(21)25(32)29(20)3)27-24(31)15-4-6-16(26)7-5-15/h4-8,11-12,18,20,22H,9-10,13-14H2,1-3H3,(H,27,31)/t18-,20-,22+/m0/s1" ; chebi:inchikey "VIDGDBZXEWMIQL-RCZSKKKRSA-N" ; chebi:mass "469.506" ; chebi:monoisotopicmass "469.20130" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11857" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide" . obo:CHEBI_100484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34F2N2O4S" ; chebi:inchi "InChI=1S/C24H34F2N2O4S/c1-17-6-9-22(10-7-17)33(30,31)28(19(3)16-29)13-18(2)24(32-5)15-27(4)14-20-12-21(25)8-11-23(20)26/h6-12,18-19,24,29H,13-16H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "VKCFDPYGFDYBIC-GLDPYIMESA-N" ; chebi:mass "484.602" ; chebi:monoisotopicmass "484.22074" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11858" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_100485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "VHVNEVJWYRMESY-ISCCLHIJSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11859" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11859" . obo:CHEBI_100486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14+,15-,17+/m1/s1" ; chebi:inchikey "WAKYUTRBASZCGN-DLTWYDFYSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-11860" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19+,20-/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-IZBJGVDFSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11861" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-RMVXJAJNSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11862" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_100489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26-/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-QIGHUWCUSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11863" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_10049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37045 ; rdfs:subClassOf obo:CHEBI_53012 . _:b449 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b449 . _:b449 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75771 . _:b450 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b450 . _:b450 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . _:b451 rdf:type owl:Restriction . obo:CHEBI_10049 rdfs:subClassOf _:b451 . _:b451 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_59885 . obo:CHEBI_10049 obo:IAO_0000115 "The xanthosine 5'-phosphate in which the 5'-phosphate is a triphosphate group." ; chebi:charge "0" ; chebi:formula "C10H15N4O15P3" ; chebi:inchi "InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "CAEFEWVYEZABLA-UUOKFMHZSA-N" ; chebi:mass "524.16520" ; chebi:monoisotopicmass "523.97468" ; chebi:smiles "O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O" ; oboInOwl:hasDbXref "CAS:6253-56-1" ; oboInOwl:hasDbXref "KEGG:C00700" ; oboInOwl:hasExactSynonym "XTP" ; oboInOwl:hasExactSynonym "xanthosine 5'-(tetrahydrogen triphosphate)" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "O(5')-(tetrahydroxytriphosphoryl)xanthosine" ; oboInOwl:hasRelatedSynonym "Xanthosine 5'-triphosphate" ; oboInOwl:hasRelatedSynonym "Xanthosine triphosphate" ; oboInOwl:hasRelatedSynonym "triphopsphoric acid 1-xanthosin-5'-yl ester" ; oboInOwl:id "CHEBI:10049" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "XTP" . _:b452 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:6253-56-1" ; rdfs:label "ChemIDplus" . _:b453 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:6253-56-1" ; rdfs:label "KEGG COMPOUND" . _:b454 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "XTP" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b455 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "xanthosine 5'-(tetrahydrogen triphosphate)" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b456 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "O(5')-(tetrahydroxytriphosphoryl)xanthosine" ; oboInOwl:hasDbXref "ChEBI" . _:b457 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Xanthosine 5'-triphosphate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b458 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Xanthosine 5'-triphosphate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b459 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Xanthosine triphosphate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b460 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10049 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "triphopsphoric acid 1-xanthosin-5'-yl ester" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17-,18+/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XWTMOSNGSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-11864" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26-,27+/m1/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-KQPVPGJTSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11865" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_100492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26-/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-DYLHXGEVSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11866" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11866" . obo:CHEBI_100493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24-,30-,33+/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-VAHUEIHFSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11867" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11867" . obo:CHEBI_100494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21-/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-TYPHKJRUSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11868" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-YZBYQZESSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11869" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-WWUYVNTOSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11870" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C29H31N5O3" ; chebi:inchi "InChI=1S/C29H31N5O3/c35-18-23-25-17-34-24(11-10-22(29(34)37)20-7-1-2-8-20)27(33(25)16-19-6-5-12-30-14-19)26(23)28(36)32-15-21-9-3-4-13-31-21/h3-7,9-14,23,25-27,35H,1-2,8,15-18H2,(H,32,36)/t23-,25-,26+,27+/m1/s1" ; chebi:inchikey "DPJGOJUVSBIVRD-ZDEZRRDYSA-N" ; chebi:mass "497.589" ; chebi:monoisotopicmass "497.24269" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CN=CC=C5)CN3C2=O)CO)C(=O)NCC6=CC=CC=N6" ; oboInOwl:hasDbXref "LINCS:LSM-11871" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11871" . obo:CHEBI_100498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33+/m0/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-ZOWCYTSZSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11872" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11872" . obo:CHEBI_100499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26+/m0/s1" ; chebi:inchikey "HBACCIGQRKGJSE-KKUQBAQOSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11873" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_1005 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28174 ; owl:deprecated true . obo:CHEBI_10050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38418 ; rdfs:subClassOf obo:CHEBI_46948 ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C41H38N6O5S2" ; chebi:inchi "InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,44,50)(H,45,51)/t33-,34-,35+,36+/m1/s1" ; chebi:inchikey "MDYWWBMXAFPJCJ-NWJWHWDBSA-N" ; chebi:mass "758.911" ; chebi:monoisotopicmass "758.23451" ; chebi:smiles "O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)NC2=S=CC=N2)C(=O)N(Cc2cccc(c2)C(=O)NC2=S=CC=N2)[C@@H]1Cc1ccccc1" ; oboInOwl:hasDbXref "KEGG:C06488" ; oboInOwl:hasExactSynonym "XV638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]" ; oboInOwl:id "CHEBI:10050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "XV638" . _:b461 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10050 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "XV638" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b462 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10050 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13+,14+/m1/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-RDBSUJKOSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11874" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18-,20+/m0/s1" ; chebi:inchikey "QTFAPORQFWHYLC-ZAAXVRCTSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11875" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21+,27-/m1/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-PBDKAQRYSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11876" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11876" . obo:CHEBI_100503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21+,26-/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-YZIHRLCOSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11877" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11877" . obo:CHEBI_100504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H26FN3O3" ; chebi:inchi "InChI=1S/C27H26FN3O3/c28-22-8-4-3-7-18(22)19-9-10-23-24-20(14-31(23)26(19)33)21(15-32)25(29-24)27(34)30-12-11-16-5-1-2-6-17(16)13-30/h1-10,20-21,24-25,29,32H,11-15H2/t20-,21-,24+,25-/m1/s1" ; chebi:inchikey "FZFLVCQZKXFTSN-KZKYLIHBSA-N" ; chebi:mass "459.513" ; chebi:monoisotopicmass "459.19582" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@H]4N3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11878" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23-,25-,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DJILIAROSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11879" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20-,26+/m1/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-KYTVRQNUSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11880" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30+,32-/m0/s1" ; chebi:inchikey "MARYDHBQWVLAFX-OVIZOQQBSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11881" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23-/m0/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-WPYKKVEZSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11882" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_100509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-POAQFYNOSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-11883" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_10051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H16N5O3R" ; chebi:mass "230.245" ; chebi:monoisotopicmass "230.12531" ; chebi:smiles "N[C@@H]([*])C(=O)N[C@@H](CCCNC(N)=N)C(O)=O" ; oboInOwl:hasDbXref "KEGG:C01461" ; oboInOwl:hasExactSynonym "Xaa-Arg" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-Arg" . _:b463 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10051 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xaa-Arg" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25+,27-/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-DJOAJLSESA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11884" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_100511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21+/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-PAXLWEDBSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11885" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_100512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27+/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-FYQCMVGJSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11886" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F2N3O5S" ; chebi:inchi "InChI=1S/C23H31F2N3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "DYSXQKGXYVAXRN-YVHKJVDXSA-N" ; chebi:mass "499.573" ; chebi:monoisotopicmass "499.19525" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11887" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22-,24+,27+/m1/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-YDGNWZKSSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-11888" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13-,14-,15+/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-ZQDZILKHSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11889" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_100516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-DMPWYTOCSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11890" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15-,16+/m1/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-OAGGEKHMSA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-11891" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_100518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19+,24+/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-XLNZFTOWSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-11892" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H34N4O3S" ; chebi:inchi "InChI=1S/C29H34N4O3S/c1-5-7-20-8-6-9-22(16-20)27-26-23(19-33(25(26)12-15-34)37(36)29(2,3)4)17-24(32-27)28(35)31-18-21-10-13-30-14-11-21/h5-11,13-14,16-17,25,34H,12,15,18-19H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "DWWWKKNSQALGRT-RSUXDYMJSA-N" ; chebi:mass "518.672" ; chebi:monoisotopicmass "518.23516" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC=NC=C4)[S@@](=O)C(C)(C)C)CCO" ; oboInOwl:hasDbXref "LINCS:LSM-11893" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11893" . obo:CHEBI_10052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H11N4O3R" ; chebi:mass "211.198" ; chebi:monoisotopicmass "211.08312" ; chebi:smiles "N[C@@H]([*])C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O" ; oboInOwl:hasDbXref "KEGG:C01462" ; oboInOwl:hasExactSynonym "Xaa-His" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-His" . _:b464 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10052 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xaa-His" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24-,26-,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-UKPIWMLRSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11894" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24+,25+,31-/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-AOHZZOSCSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11895" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11895" . obo:CHEBI_100522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m0/s1" ; chebi:inchikey "CRNISVWSFUFTQR-QUPYCJFYSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-11896" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "LSVFVIWAXGKISN-XEYPJELSSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11897" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20+,22+,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-PJJGQHEOSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-11898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H30N4O4S" ; chebi:inchi "InChI=1S/C19H30N4O4S/c24-13-16-15(21-17(25)6-10-23-8-2-1-3-9-23)5-4-14(27-16)12-18(26)22-19-20-7-11-28-19/h7,11,14-16,24H,1-6,8-10,12-13H2,(H,21,25)(H,20,22,26)/t14-,15-,16+/m0/s1" ; chebi:inchikey "IZCYNDJXNVTGPG-HRCADAONSA-N" ; chebi:mass "410.533" ; chebi:monoisotopicmass "410.19878" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-11899" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_100526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29+/m0/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-SCWLSEGGSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11900" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H31FN2O7S" ; chebi:inchi "InChI=1S/C33H31FN2O7S/c34-22-8-13-27(14-9-22)44(39,40)36-23-10-15-30-28(16-23)29-17-26(42-31(20-37)33(29)43-30)18-32(38)35-19-21-6-11-25(12-7-21)41-24-4-2-1-3-5-24/h1-16,26,29,31,33,36-37H,17-20H2,(H,35,38)/t26-,29-,31+,33+/m1/s1" ; chebi:inchikey "BHEWHBNGLCOXBN-IFFLXBFKSA-N" ; chebi:mass "618.674" ; chebi:monoisotopicmass "618.18360" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11901" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17+,23-/m1/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-SAHWJRBASA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11902" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_15705 ; chebi:charge "0" ; chebi:formula "C28H26N2O6" ; chebi:inchi "InChI=1S/C28H26N2O6/c31-15-21-20-14-29-22(10-9-19(27(29)32)8-6-17-4-2-1-3-5-17)25(20)30(26(21)28(33)34)13-18-7-11-23-24(12-18)36-16-35-23/h1-12,20-21,25-26,31H,13-16H2,(H,33,34)/t20-,21-,25+,26-/m0/s1" ; chebi:inchikey "JUBZNFCZFZOAAP-MSNAGZIKSA-N" ; chebi:mass "486.517" ; chebi:monoisotopicmass "486.17909" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11903" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11903" . obo:CHEBI_10053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H16N3O3R" ; chebi:mass "202.231" ; chebi:monoisotopicmass "202.11917" ; chebi:smiles "NCCCC[C@H](NC(=O)[C@@H](N)[*])C(O)=O" ; oboInOwl:hasDbXref "KEGG:C01463" ; oboInOwl:hasExactSynonym "Xaa-Lys" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-Lys" . _:b465 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10053 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xaa-Lys" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-JLHGSKIFSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11904" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25-,28-/m0/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-JWVZEJEHSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11905" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H27N3O4" ; chebi:inchi "InChI=1S/C25H27N3O4/c1-15(30)28-22-19(20(14-29)23(28)24(31)26-17-9-3-2-4-10-17)13-27-21(22)12-11-18(25(27)32)16-7-5-6-8-16/h2-4,7,9-12,19-20,22-23,29H,5-6,8,13-14H2,1H3,(H,26,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "CIRAGUKJUQGHED-RLBLXZPPSA-N" ; chebi:mass "433.501" ; chebi:monoisotopicmass "433.20016" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11906" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-YDHSSHFGSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11907" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_100534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19-/m1/s1" ; chebi:inchikey "LUVVHBIYDBULDN-HHXXYDBFSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11908" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_100535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20-,21+/m1/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-MHTWAQMVSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-11909" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m0/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-AYSMAOOMSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11910" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31+/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-KRDKWYSMSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11911" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-OHUGHZGNSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11912" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11912" . obo:CHEBI_100539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-30-25-22(23(19-33)26(30)27(34)29-12-5-13-31-14-16-36-17-15-31)18-32-24(25)11-10-21(28(32)35)9-8-20-6-3-2-4-7-20/h2-4,6-11,22-23,25-26,33H,5,12-19H2,1H3,(H,29,34)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "LTCABXOBQOXXRS-LJCOXQHRSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]([C@H]1C(=O)NCCCN5CCOCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11913" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11913" . obo:CHEBI_10054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H14N3O3R" ; chebi:mass "188.205" ; chebi:monoisotopicmass "188.10352" ; chebi:smiles "NCCC[C@H](NC(=O)[C@@H](N)[*])C(O)=O" ; oboInOwl:hasDbXref "KEGG:C02092" ; oboInOwl:hasExactSynonym "Xaa-ornithine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xaa-ornithine" . _:b466 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10054 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xaa-ornithine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22+,25-/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-MNUQHFOJSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11914" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15-,19+/m0/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-YZVOILCLSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-11915" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24+,30+/m0/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-FVBCXUTKSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11916" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11916" . obo:CHEBI_100543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23+,25+/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-VTZPFEBOSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11917" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_100544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20-/m1/s1" ; chebi:inchikey "LINNEEFEDHMFDS-LAPQFRIASA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11918" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_100545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23-,30+/m0/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-ZTNZZFSWSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11919" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11919" . obo:CHEBI_100546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23+/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-QZMQVMSPSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11920" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29N3O7S" ; chebi:inchi "InChI=1S/C21H29N3O7S/c1-23-17-5-4-15(12-20(25)24-7-9-29-10-8-24)31-19(17)13-30-18-6-3-14(22-32(2,27)28)11-16(18)21(23)26/h3,6,11,15,17,19,22H,4-5,7-10,12-13H2,1-2H3/t15-,17-,19-/m0/s1" ; chebi:inchikey "VPEDYPFQYJVQKE-IEZWGBDMSA-N" ; chebi:mass "467.538" ; chebi:monoisotopicmass "467.17262" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-11921" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]methanesulfonamide" . obo:CHEBI_100548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24+,26-,27+/m1/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-QHGFWFBMSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11922" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_100549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28+/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-DANFDKMISA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11923" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_10055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C16H25N3O5" ; chebi:inchi "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)" ; chebi:inchikey "DXPOSRCHIDYWHW-UHFFFAOYSA-N" ; chebi:mass "339.387" ; chebi:monoisotopicmass "339.17942" ; chebi:smiles "OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1" ; oboInOwl:hasDbXref "CAS:81801-12-9" ; oboInOwl:hasDbXref "Drug_Central:2848" ; oboInOwl:hasDbXref "KEGG:C11775" ; oboInOwl:hasDbXref "KEGG:D06328" ; oboInOwl:hasExactSynonym "Xamoterol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "xamoterol fumarate" ; oboInOwl:hasRelatedSynonym "xamoterol hemifumarate" ; oboInOwl:id "CHEBI:10055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xamoterol" . _:b467 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10055 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:81801-12-9" ; rdfs:label "KEGG COMPOUND" . _:b468 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10055 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2848" ; rdfs:label "DrugCentral" . _:b469 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10055 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xamoterol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b470 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10055 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "xamoterol fumarate" ; oboInOwl:hasDbXref "DrugCentral" . _:b471 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10055 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "xamoterol hemifumarate" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_100550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17-,23-/m1/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-SEPYTNNBSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11924" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22+,25+,27-/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-ISSPKVJFSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11925" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "QARSUPNDRVVANH-BSRJHKFKSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-11926" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_100553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16+/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-HRCADAONSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-11927" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27+/m1/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-JBBQQGGESA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-11928" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_100555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29-/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-ONDZYYNLSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11929" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m0/s1" ; chebi:inchikey "XUZKWORPTAYLRR-LLZJGCNPSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11930" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15+,19+/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-VCBZYWHSSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11931" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_100558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-LLJLJFOGSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11932" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-TWMKSMIVSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-11933" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_10056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26921 ; rdfs:subClassOf obo:CHEBI_38099 . _:b472 rdf:type owl:Restriction . obo:CHEBI_10056 rdfs:subClassOf _:b472 . _:b472 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35941 . _:b473 rdf:type owl:Restriction . obo:CHEBI_10056 rdfs:subClassOf _:b473 . _:b473 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38325 . obo:CHEBI_10056 chebi:charge "0" ; chebi:formula "C14H23N3OS" ; chebi:inchi "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3" ; chebi:inchikey "JOLJIIDDOBNFHW-UHFFFAOYSA-N" ; chebi:mass "281.41700" ; chebi:monoisotopicmass "281.15618" ; chebi:smiles "CCCCCCOc1nsnc1C1=CCCN(C)C1" ; oboInOwl:hasDbXref "Beilstein:5480228" ; oboInOwl:hasDbXref "CAS:131986-45-3" ; oboInOwl:hasDbXref "Drug_Central:3652" ; oboInOwl:hasDbXref "KEGG:C11767" ; oboInOwl:hasDbXref "KEGG:D06330" ; oboInOwl:hasDbXref "Patent:EP384288" ; oboInOwl:hasDbXref "Patent:US5043345" ; oboInOwl:hasDbXref "Patent:WO9429303" ; oboInOwl:hasExactSynonym "5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine" ; oboInOwl:hasExactSynonym "Xanomeline" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "LY 246708" ; oboInOwl:hasRelatedSynonym "xanomeline" ; oboInOwl:id "CHEBI:10056" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "xanomeline" . _:b474 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:5480228" ; rdfs:label "Beilstein" . _:b475 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:131986-45-3" ; rdfs:label "ChemIDplus" . _:b476 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:131986-45-3" ; rdfs:label "KEGG COMPOUND" . _:b477 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:3652" ; rdfs:label "DrugCentral" . _:b478 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b479 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanomeline" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b480 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "LY 246708" ; oboInOwl:hasDbXref "IUPHAR" . _:b481 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10056 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "xanomeline" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_100560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-RHGYRFJNSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11934" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_100561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H26F5N3O5" ; chebi:inchi "InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22+,25-,27-/m0/s1" ; chebi:inchikey "ZUHKGHKDCFDVCR-BUZLNKNLSA-N" ; chebi:mass "591.527" ; chebi:monoisotopicmass "591.17926" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11935" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19-/m1/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-BHIYHBOVSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-11936" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_100563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24+,30+/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-QXFFIUSXSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11937" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11937" . obo:CHEBI_100564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H35F3N4O3" ; chebi:inchi "InChI=1S/C25H35F3N4O3/c1-30(2)12-5-11-29-23(34)22-19(15-33)18-14-32-20(21(18)31(22)13-10-25(26,27)28)9-8-17(24(32)35)16-6-3-4-7-16/h6,8-9,18-19,21-22,33H,3-5,7,10-15H2,1-2H3,(H,29,34)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "VFQPYNAQKZTJPV-KRXUUXHPSA-N" ; chebi:mass "496.567" ; chebi:monoisotopicmass "496.26613" ; chebi:smiles "CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11938" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-GKYRZQBGSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11939" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17-,19-,21+/m0/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-WRGRXTPVSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11940" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22+,27+/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-OREGWCPLSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11941" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11941" . obo:CHEBI_100568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-QLVXXPONSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11942" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11942" . obo:CHEBI_100569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5S" ; chebi:inchi "InChI=1S/C23H33N5O5S/c1-16-11-28(12-18-9-24-15-25-10-18)17(2)14-33-21-7-6-19(26-34(5,30)31)8-20(21)23(29)27(3)13-22(16)32-4/h6-10,15-17,22,26H,11-14H2,1-5H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VPVAZUBGKWFEKV-GSHUGGBRSA-N" ; chebi:mass "491.606" ; chebi:monoisotopicmass "491.22024" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11943" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_10057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36440 . _:b482 rdf:type owl:Restriction . obo:CHEBI_10057 rdfs:subClassOf _:b482 . _:b482 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_36441 . _:b483 rdf:type owl:Restriction . obo:CHEBI_10057 rdfs:subClassOf _:b483 . _:b483 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_36442 . obo:CHEBI_10057 chebi:charge "0" ; chebi:formula "C13H10O" ; chebi:inchi "InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2" ; chebi:inchikey "GJCOSYZMQJWQCA-UHFFFAOYSA-N" ; chebi:mass "182.218" ; chebi:monoisotopicmass "182.07316" ; chebi:smiles "C1=2C(OC3=CC=CC=C3C1)=CC=CC2" ; oboInOwl:hasDbXref "Beilstein:133939" ; oboInOwl:hasDbXref "CAS:92-83-1" ; oboInOwl:hasDbXref "Gmelin:83576" ; oboInOwl:hasDbXref "KEGG:C01464" ; oboInOwl:hasDbXref "Reaxys:133939" ; oboInOwl:hasDbXref "Wikipedia:Xanthene" ; oboInOwl:hasExactSynonym "9H-xanthene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "10H-9-oxaanthracene" ; oboInOwl:hasRelatedSynonym "Xanthan" ; oboInOwl:hasRelatedSynonym "Xanthene" ; oboInOwl:hasRelatedSynonym "dibenzo[a,e]pyran" ; oboInOwl:id "CHEBI:10057" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "9H-xanthene" . _:b484 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:133939" ; rdfs:label "Beilstein" . _:b485 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:92-83-1" ; rdfs:label "ChemIDplus" . _:b486 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:92-83-1" ; rdfs:label "KEGG COMPOUND" . _:b487 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:92-83-1" ; rdfs:label "NIST Chemistry WebBook" . _:b488 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:83576" ; rdfs:label "Gmelin" . _:b489 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:133939" ; rdfs:label "Reaxys" . _:b490 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "9H-xanthene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b491 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "10H-9-oxaanthracene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b492 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Xanthan" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b493 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Xanthene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b494 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10057 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dibenzo[a,e]pyran" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_100570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27F3N2O6" ; chebi:inchi "InChI=1S/C22H27F3N2O6/c23-22(24,25)11-26-19(29)9-14-8-16-15-7-13(27-21(30)12-3-5-31-6-4-12)1-2-17(15)33-20(16)18(10-28)32-14/h1-2,7,12,14,16,18,20,28H,3-6,8-11H2,(H,26,29)(H,27,30)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "QSBPACLFOOFXHF-PFSLXQJOSA-N" ; chebi:mass "472.456" ; chebi:monoisotopicmass "472.18212" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11944" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26+/m0/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-LLZJGCNPSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11945" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24-/m0/s1" ; chebi:inchikey "NYJPVGKIWASVOA-JXQFQVJHSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-11946" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18-/m1/s1" ; chebi:inchikey "SLFKQKCTISPXPS-KZNAEPCWSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11947" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11947" . obo:CHEBI_100574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17-,21+,23+/m1/s1" ; chebi:inchikey "KFOACEMMMUKWEO-UNXOBOICSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-11948" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_100575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C30H33FN2O4" ; chebi:inchi "InChI=1S/C30H33FN2O4/c1-20-16-33(21(2)18-34)30(36)27-11-7-6-10-26(27)25-9-5-4-8-23(25)19-37-28(20)17-32(3)29(35)22-12-14-24(31)15-13-22/h4-15,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "HTGRXZBGTMWDTQ-BALWLHIASA-N" ; chebi:mass "504.594" ; chebi:monoisotopicmass "504.24244" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11949" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11949" . obo:CHEBI_100576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33+/m0/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-GJFGOQOUSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasDbXref "LINCS:LSM-11950" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_100577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23+,25+/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-QQKQFIJSSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-11951" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_100578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24+,26-,28-/m1/s1" ; chebi:inchikey "AAXDVORIQTTZBB-UQCMEGJUSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11952" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24+,25-/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-ZKGSSEMHSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11953" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_10058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1" ; chebi:inchikey "RBRPTFMVULVGIC-ZTIIIDENSA-N" ; chebi:mass "246.302" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\\C=C\\C(C)=O" ; oboInOwl:hasDbXref "CAS:26791-73-1" ; oboInOwl:hasDbXref "KEGG:C09601" ; oboInOwl:hasDbXref "KNApSAcK:C00003394" ; oboInOwl:hasExactSynonym "Xanthatin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthatin" . _:b495 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10058 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:26791-73-1" ; rdfs:label "KEGG COMPOUND" . _:b496 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10058 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanthatin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20-,22+,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-BOKITCOWSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-11954" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19-,24+/m1/s1" ; chebi:inchikey "FGARXSMYVPQAMN-IECBHUPTSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-11955" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24+,25-,26+/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-ROXDYWFKSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11956" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_100583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H26Cl2N4O5S" ; chebi:inchi "InChI=1S/C27H26Cl2N4O5S/c1-33-22-6-4-17(10-25(34)30-11-15-2-5-19(28)20(29)8-15)38-24(22)12-37-23-7-3-16(9-18(23)27(33)36)32-26(35)21-13-39-14-31-21/h2-3,5,7-9,13-14,17,22,24H,4,6,10-12H2,1H3,(H,30,34)(H,32,35)/t17-,22+,24-/m0/s1" ; chebi:inchikey "LHGVLKOLCXFJRT-YJGRUCBDSA-N" ; chebi:mass "589.492" ; chebi:monoisotopicmass "588.10010" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CSC=N4)CC(=O)NCC5=CC(=C(C=C5)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-11957" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H33FN4O3" ; chebi:inchi "InChI=1S/C26H33FN4O3/c1-3-10-30-23-19(20(16-32)24(30)26(34)29-13-11-28(2)12-14-29)15-31-22(23)9-8-18(25(31)33)17-6-4-5-7-21(17)27/h4-9,19-20,23-24,32H,3,10-16H2,1-2H3/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "USYUKGCDRIQXPK-JVODISISSA-N" ; chebi:mass "468.565" ; chebi:monoisotopicmass "468.25367" ; chebi:smiles "CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)N5CCN(CC5)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11958" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1" ; chebi:inchikey "LHVPUDAVHZTECS-JLHGSKIFSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11959" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_100586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27-,28+/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-JGCYXCAYSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11960" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b497 rdf:type owl:Restriction . obo:CHEBI_100587 rdfs:subClassOf _:b497 . _:b497 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100587 chebi:charge "0" ; chebi:formula "C26H29N3O3" ; chebi:inchi "InChI=1S/C26H29N3O3/c30-14-20-21-13-29-22(10-9-19(26(29)32)15-5-1-2-6-15)24(28-21)23(20)25(31)27-18-11-16-7-3-4-8-17(16)12-18/h3-5,7-10,18,20-21,23-24,28,30H,1-2,6,11-14H2,(H,27,31)/t20-,21-,23+,24+/m0/s1" ; chebi:inchikey "OCQMLVVPVHYQPL-NEUULRRLSA-N" ; chebi:mass "431.528" ; chebi:monoisotopicmass "431.22089" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11961" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11961" . obo:CHEBI_100588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16+/m0/s1" ; chebi:inchikey "UGRHUCUWEJLITN-ARFHVFGLSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11962" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_100589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28+,29-/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-PPTZAKONSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-11963" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10059 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17712 ; owl:deprecated true . obo:CHEBI_100590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18-,26+/m1/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-KABRZNFWSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11964" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c1-29-22-15-30-21(10-9-19(26(30)33)18-8-5-12-27-14-18)24(29)23(20(22)16-31)25(32)28-13-11-17-6-3-2-4-7-17/h2-10,12,14,20,22-24,31H,11,13,15-16H2,1H3,(H,28,32)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "MSLHGMMBDZHUMV-IQFVJIFQSA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11965" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11965" . obo:CHEBI_100592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H35N5O4" ; chebi:inchi "InChI=1S/C26H35N5O4/c1-29(2)11-5-10-27-25(33)23-20(14-32)22-13-31-21(24(23)30(22)12-18-15-35-16-28-18)9-8-19(26(31)34)17-6-3-4-7-17/h6,8-9,15-16,20,22-24,32H,3-5,7,10-14H2,1-2H3,(H,27,33)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "GJSDPDSQBZFABN-IQFVJIFQSA-N" ; chebi:mass "481.588" ; chebi:monoisotopicmass "481.26890" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5=COC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11966" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11966" . obo:CHEBI_100593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13+/m1/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-RTXFEEFZSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-11967" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H26F2N2O7" ; chebi:inchi "InChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21+,26+,28-/m1/s1" ; chebi:inchikey "JRAPIMFHFBSUKE-GGUBSOLTSA-N" ; chebi:mass "552.524" ; chebi:monoisotopicmass "552.17081" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11968" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25-/m0/s1" ; chebi:inchikey "VDMGESCZGFUZFC-PWWKTKHKSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-11969" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22-/m0/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-JQVVWYNYSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11970" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21+,26-,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-GOFZDKTCSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11971" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11971" . obo:CHEBI_100598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H28FN3O5" ; chebi:inchi "InChI=1S/C22H28FN3O5/c23-16-3-1-2-15(6-16)8-24-22(28)7-19-4-5-20-21(31-19)13-29-12-18(27)10-26(20)9-17-11-30-14-25-17/h1-3,6,11,14,18-21,27H,4-5,7-10,12-13H2,(H,24,28)/t18-,19-,20+,21-/m1/s1" ; chebi:inchikey "ZRFCXMMZEGBTOS-MXEMCNAFSA-N" ; chebi:mass "433.474" ; chebi:monoisotopicmass "433.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-11972" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C20H22FN3O3" ; chebi:inchi "InChI=1S/C20H22FN3O3/c1-23(2)20(27)18-15(10-25)14-9-24-16(17(14)22-18)8-7-13(19(24)26)11-3-5-12(21)6-4-11/h3-8,14-15,17-18,22,25H,9-10H2,1-2H3/t14-,15-,17+,18-/m1/s1" ; chebi:inchikey "HRNJAQRGDGXKJI-XYVMCAHJSA-N" ; chebi:mass "371.406" ; chebi:monoisotopicmass "371.16452" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]2N1)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11973" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_1006 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28370 ; owl:deprecated true . obo:CHEBI_10060 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_30881 ; owl:deprecated true . obo:CHEBI_100600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27-,29-/m0/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-KLPDMWAPSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11974" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24+,26+,28-/m0/s1" ; chebi:inchikey "AJGJMULVCJFZBU-XABOBXATSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11975" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33-/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-GRAPSOOXSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11976" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11976" . obo:CHEBI_100603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35FN4O5" ; chebi:inchi "InChI=1S/C28H35FN4O5/c1-17-14-33(28(36)31-23-8-6-5-7-22(23)29)18(2)16-38-24-13-20(30-26(34)19-9-10-19)11-12-21(24)27(35)32(3)15-25(17)37-4/h5-8,11-13,17-19,25H,9-10,14-16H2,1-4H3,(H,30,34)(H,31,36)/t17-,18-,25-/m1/s1" ; chebi:inchikey "RFBSRVOVWGOAAG-QJMRKGMQSA-N" ; chebi:mass "526.601" ; chebi:monoisotopicmass "526.25915" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-11977" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_100604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m0/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-MFEFFIJZSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11978" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N3O7S2" ; chebi:inchi "InChI=1S/C30H37N3O7S2/c1-21-11-9-10-14-29(21)41(35,36)31-24-15-16-27-26(17-24)30(34)32(4)19-28(39-5)22(2)18-33(23(3)20-40-27)42(37,38)25-12-7-6-8-13-25/h6-17,22-23,28,31H,18-20H2,1-5H3/t22-,23-,28-/m1/s1" ; chebi:inchikey "CUDOUIJJWFXDCR-MVOZIGHISA-N" ; chebi:mass "615.764" ; chebi:monoisotopicmass "615.20729" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11979" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(benzenesulfonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_100606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O5S" ; chebi:inchi "InChI=1S/C23H29N5O5S/c1-25(2)23(31)20-16(12-29)18-10-27-17(9-8-15(22(27)30)14-6-4-5-7-14)21(20)28(18)34(32,33)19-11-26(3)13-24-19/h6,8-9,11,13,16,18,20-21,29H,4-5,7,10,12H2,1-3H3/t16-,18-,20+,21+/m1/s1" ; chebi:inchikey "WKQWAKOEERQJQB-LMQGHGSNSA-N" ; chebi:mass "487.574" ; chebi:monoisotopicmass "487.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-11980" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11980" . obo:CHEBI_100607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20-,21+/m0/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-PCCBWWKXSA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11981" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28+,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-JQIAXLDCSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11982" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22-/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-XQBPLPMBSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11983" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C17H22O5" ; chebi:inchi "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15-,16?/m0/s1" ; chebi:inchikey "DPSCQKGSAHTWSP-LPVYDGHXSA-N" ; chebi:mass "306.354" ; chebi:monoisotopicmass "306.14672" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C(CC(C)=O)OC(C)=O" ; oboInOwl:hasDbXref "CAS:580-49-4" ; oboInOwl:hasDbXref "KEGG:C09602" ; oboInOwl:hasDbXref "KNApSAcK:C00000313" ; oboInOwl:hasExactSynonym "Xanthinin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthinin" . _:b498 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10061 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:580-49-4" ; rdfs:label "KEGG COMPOUND" . _:b499 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10061 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanthinin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-YYDVJCTNSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11984" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c31-22-14-30(13-21-15-34-18-27-21)24-7-6-23(35-25(24)17-33-16-22)10-26(32)28-20-8-9-29(12-20)11-19-4-2-1-3-5-19/h1-5,15,18,20,22-25,31H,6-14,16-17H2,(H,28,32)/t20-,22-,23-,24-,25+/m1/s1" ; chebi:inchikey "PSFFUTLOGKFPDU-MRPKTGBJSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-11985" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18-,25-/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-QJMRKGMQSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-11986" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24-,30+/m0/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-FOUYOVOOSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11987" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11987" . obo:CHEBI_100614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-YXPKMTABSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-11988" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-VPBXCIAMSA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-11989" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19+/m0/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-IPMKNSEASA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-11990" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H35N3O5S" ; chebi:inchi "InChI=1S/C35H35N3O5S/c1-38-30-15-14-27(19-33(39)36-21-23-9-11-25(12-10-23)24-6-3-2-4-7-24)43-32(30)22-42-31-16-13-26(18-29(31)35(38)41)37-34(40)20-28-8-5-17-44-28/h2-13,16-18,27,30,32H,14-15,19-22H2,1H3,(H,36,39)(H,37,40)/t27-,30+,32-/m0/s1" ; chebi:inchikey "DRCDGYYITPZHEH-KUYURNMDSA-N" ; chebi:mass "609.737" ; chebi:monoisotopicmass "609.22974" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-11991" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_100618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26-,28+/m1/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-RJRADHEHSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-11992" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-25-20-27(31(38)35-15-13-34(4)14-16-35)33-30(29(25)28(36)12-17-37)24-10-6-8-22(18-24)23-9-7-11-26(19-23)40-5/h6-11,18-20,28,37H,12-17,21H2,1-5H3/t28-,41?/m1/s1" ; chebi:inchikey "COBDXBQOFDTBIX-MEUHZGSUSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-11993" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_10062 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18073 ; owl:deprecated true . obo:CHEBI_100620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27-/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-BATDWUPUSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-11994" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-PZMMLYQQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-11995" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11995" . obo:CHEBI_100622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14+,15-/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-QLFBSQMISA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasDbXref "LINCS:LSM-11996" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C31H36N2O4" ; chebi:inchi "InChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23-,29+/m1/s1" ; chebi:inchikey "VEXUQYCDGUTBQK-SGQNLQFHSA-N" ; chebi:mass "500.630" ; chebi:monoisotopicmass "500.26751" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11997" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11997" . obo:CHEBI_100624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29+,30-/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-UEABVZRBSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-11998" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-11998" . obo:CHEBI_100625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "SOARVSRWKWCBLL-QXPQREGVSA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-11999" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34N4O6S" ; chebi:inchi "InChI=1S/C22H34N4O6S/c1-25(2)11-5-10-23-21(27)13-16-7-8-18-20(32-16)14-31-19-9-6-15(24-33(4,29)30)12-17(19)22(28)26(18)3/h6,9,12,16,18,20,24H,5,7-8,10-11,13-14H2,1-4H3,(H,23,27)/t16-,18+,20+/m1/s1" ; chebi:inchikey "CDAYNQARGBNMSE-KPFFTGBYSA-N" ; chebi:mass "482.596" ; chebi:monoisotopicmass "482.21991" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12000" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_100627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27-/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-NKPLSRDGSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12001" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H26N4O5" ; chebi:inchi "InChI=1S/C26H26N4O5/c1-35-15-22(32)30-23-19(20(14-31)24(30)25(33)28-17-7-3-2-4-8-17)13-29-21(23)10-9-18(26(29)34)16-6-5-11-27-12-16/h2-12,19-20,23-24,31H,13-15H2,1H3,(H,28,33)/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "ZBGRYIWHFJMRFQ-JVODISISSA-N" ; chebi:mass "474.509" ; chebi:monoisotopicmass "474.19032" ; chebi:smiles "COCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12002" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-phenyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24-,26+,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-LYQXATBPSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12003" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10063 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_70327 ; owl:deprecated true . obo:CHEBI_100630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-GEALJGNFSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12004" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-WFHOOFKDSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12005" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,21+,24-/m0/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-GDAJUDPFSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12006" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17-,18-/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-ZTFGCOKTSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-12007" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_100634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-MSUVVHHUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12008" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-15(2)29-27(35)31-23-20(21(14-32)24(31)25(33)28-12-16-4-5-16)13-30-22(23)11-10-19(26(30)34)17-6-8-18(36-3)9-7-17/h6-11,15-16,20-21,23-24,32H,4-5,12-14H2,1-3H3,(H,28,33)(H,29,35)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "KGEBAFQSPNEEIE-ZQRMPTRQSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]([C@H]1C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12009" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_100636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14+,20-/m0/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-MNVSYLFESA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12010" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22+/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-WJONJSRFSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12011" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25+/m1/s1" ; chebi:inchikey "IESMZGXEKVWDTA-WYEJZRMESA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasDbXref "LINCS:LSM-12012" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-LOYIFYEOSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12013" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12013" . obo:CHEBI_10064 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16550 ; owl:deprecated true . obo:CHEBI_100640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19-/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-BHIYHBOVSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12014" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_100641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18-,24-/m1/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-QZTZHPFYSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12015" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-VSUKXTEZSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12016" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N5O4" ; chebi:inchi "InChI=1S/C27H35N5O4/c1-28(2)16-23(34)32-22-15-31-21(10-9-19(26(31)35)18-7-5-4-6-8-18)25(32)24(20(22)17-33)27(36)30-13-11-29(3)12-14-30/h4-10,20,22,24-25,33H,11-17H2,1-3H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "HDUKPTJRZGCVRV-MMTHZHQFSA-N" ; chebi:mass "493.599" ; chebi:monoisotopicmass "493.26890" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3C(=O)CN(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12017" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12017" . obo:CHEBI_100644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-ISCCLHIJSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12018" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-PMAPCBKXSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12019" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19-,20-/m0/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-YSSFQJQWSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12020" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28-/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-BUUPBASBSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12021" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m0/s1" ; chebi:inchikey "BENJSVFNXVDSQO-JYUFKMNQSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12022" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12022" . obo:CHEBI_100649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H27N3O4" ; chebi:inchi "InChI=1S/C24H27N3O4/c1-15(29)27-20-13-26-19(22(27)21(18(20)14-28)24(31)25(2)3)12-11-17(23(26)30)10-9-16-7-5-4-6-8-16/h4-12,18,20-22,28H,13-14H2,1-3H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "SFMBZXLPYFCTAU-YJMBLLCNSA-N" ; chebi:mass "421.490" ; chebi:monoisotopicmass "421.20016" ; chebi:smiles "CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12023" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12023" . obo:CHEBI_10065 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17953 ; owl:deprecated true . obo:CHEBI_100650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24+/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-KCYKTTMJSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12024" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,26+/m1/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-INZVZTLUSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12025" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26-,28-/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-BTBRWJRTSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12026" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24+/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-AXHZCLLHSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12027" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26+/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-KYTVRQNUSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12028" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_100655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18-/m0/s1" ; chebi:inchikey "BAJOMULNWMTCGT-SZMVWBNQSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12029" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_100656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19+,22+/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-DXIQSLLYSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12030" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34N4O6S" ; chebi:inchi "InChI=1S/C22H34N4O6S/c1-25(2)11-5-10-23-21(27)13-16-7-8-18-20(32-16)14-31-19-9-6-15(24-33(4,29)30)12-17(19)22(28)26(18)3/h6,9,12,16,18,20,24H,5,7-8,10-11,13-14H2,1-4H3,(H,23,27)/t16-,18-,20+/m1/s1" ; chebi:inchikey "CDAYNQARGBNMSE-POAQFYNOSA-N" ; chebi:mass "482.596" ; chebi:monoisotopicmass "482.21991" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12031" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_100658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20-,22-/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-HOQQESESSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12032" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m0/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-HOIFWPIMSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12033" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_10066 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18107 ; owl:deprecated true . obo:CHEBI_100660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O3" ; chebi:inchi "InChI=1S/C25H24FN3O3/c26-17-8-4-7-16(11-17)18-9-10-21-23-22(24(31)27-12-15-5-2-1-3-6-15)19(14-30)20(28-23)13-29(21)25(18)32/h1-11,19-20,22-23,28,30H,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "VSJWYLDRVGFTPJ-SCPDWHHUSA-N" ; chebi:mass "433.476" ; chebi:monoisotopicmass "433.18017" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12034" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12034" . obo:CHEBI_100661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "CYYYAXPAVULRAL-ODZKNYGOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12035" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-BVFVYWQFSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12036" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12036" . obo:CHEBI_100663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17-,20-,21+/m1/s1" ; chebi:inchikey "JLPSQBARJGYMKN-DGQTTZFYSA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12037" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20-,23+/m1/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-WVVHNUNQSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12038" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24-/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-UAVUOLJFSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12039" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_100666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21-,23+,25+/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-FJSLEZNWSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12040" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22+,29-/m1/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-UETOGOEVSA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12041" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H25FN2O5" ; chebi:inchi "InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "YQHVQTZYSLOMSV-RMVXJAJNSA-N" ; chebi:mass "440.465" ; chebi:monoisotopicmass "440.17475" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]2N1C(=O)C5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12042" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24+,28+,30-/m0/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-HHGBJQJNSA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasDbXref "LINCS:LSM-12043" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10067 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15652 ; owl:deprecated true . obo:CHEBI_100670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "VUGFGKFGZUURHO-CZBREUMFSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12044" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12044" . obo:CHEBI_100671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10-,11-,12+/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-KKOKHZNYSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-12045" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_100672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H23FN2O5" ; chebi:inchi "InChI=1S/C22H23FN2O5/c1-3-18(27)25-17-10-24-16(20(25)19(15(17)11-26)22(29)30-2)9-8-14(21(24)28)12-4-6-13(23)7-5-12/h4-9,15,17,19-20,26H,3,10-11H2,1-2H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "HISNYEFWMKAJQA-SMMRIJLZSA-N" ; chebi:mass "414.428" ; chebi:monoisotopicmass "414.15910" ; chebi:smiles "CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12046" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12046" . obo:CHEBI_100673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22+,29+/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-BXOOBUKZSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12047" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12047" . obo:CHEBI_100674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22+/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-PONJGIIJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12048" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_100675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26+/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-CUVVAGTFSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12049" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22-,24-,26-,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-VUBFOCLHSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12050" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_100677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29ClN2O5" ; chebi:inchi "InChI=1S/C26H29ClN2O5/c27-17-5-3-16(4-6-17)13-28-24(31)12-19-11-21-20-10-18(29-25(32)9-15-1-2-15)7-8-22(20)34-26(21)23(14-30)33-19/h3-8,10,15,19,21,23,26,30H,1-2,9,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23-,26-/m0/s1" ; chebi:inchikey "LDGCPXKMKGRZSF-OXPRRSNCSA-N" ; chebi:mass "484.973" ; chebi:monoisotopicmass "484.17650" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20+,21+/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-CEWLAPEOSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12052" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22+/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-VVBPWWLESA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12053" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10068 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18358 ; owl:deprecated true . obo:CHEBI_100680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24ClN5O4" ; chebi:inchi "InChI=1S/C25H24ClN5O4/c1-14(33)31-22-18(11-30-21(22)7-6-17(25(30)35)16-8-27-13-28-9-16)19(12-32)23(31)24(34)29-10-15-4-2-3-5-20(15)26/h2-9,13,18-19,22-23,32H,10-12H2,1H3,(H,29,34)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "NRDXZHALSORZQF-LBVMUVSTSA-N" ; chebi:mass "493.943" ; chebi:monoisotopicmass "493.15168" ; chebi:smiles "CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@@H]([C@H]1C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12054" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22+,24-/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-RVSNTGDXSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12055" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26-,28-/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-HYRFHYEVSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12056" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-36-29(21)18-32(3)17-23-12-14-25(31)15-13-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "KXTDYBDROYGOSG-KERYWQKISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12057" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12057" . obo:CHEBI_100684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-30(2)14-6-13-29-27(35)25-21(17-33)23-16-31-22(26(25)32(23)24(34)15-18-9-10-18)12-11-20(28(31)36)19-7-4-3-5-8-19/h3-5,7-8,11-12,18,21,23,25-26,33H,6,9-10,13-17H2,1-2H3,(H,29,35)/t21-,23-,25+,26+/m0/s1" ; chebi:inchikey "ZADPRABAISSLKD-AAOIWRJWSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1N2C(=O)CC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12058" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12058" . obo:CHEBI_100685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-YTZAWJCFSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12059" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C24H32N2O5S" ; chebi:inchi "InChI=1S/C24H32N2O5S/c1-17-13-26(18(2)15-27)24(28)22-12-8-7-11-21(22)20-10-6-5-9-19(20)16-31-23(17)14-25(3)32(4,29)30/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "UZINPKAPIFGTKL-BSRJHKFKSA-N" ; chebi:mass "460.588" ; chebi:monoisotopicmass "460.20319" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12060" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12060" . obo:CHEBI_100687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19-/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-SKWUIDRYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12061" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12061" . obo:CHEBI_100688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H26ClN3O4" ; chebi:inchi "InChI=1S/C26H26ClN3O4/c1-34-22-9-5-3-7-16(22)17-10-11-21-23-18(13-30(21)26(17)33)19(14-31)24(29-23)25(32)28-12-15-6-2-4-8-20(15)27/h2-11,18-19,23-24,29,31H,12-14H2,1H3,(H,28,32)/t18-,19-,23+,24-/m1/s1" ; chebi:inchikey "HIRFHYYIFOJILK-PBIIQAGSSA-N" ; chebi:mass "479.956" ; chebi:monoisotopicmass "479.16118" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4)C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12062" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10+,11+/m0/s1" ; chebi:inchikey "RKCCKXKETMZMSY-HBNTYKKESA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-12063" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_10069 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15709 ; owl:deprecated true . obo:CHEBI_100690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25+,27+/m1/s1" ; chebi:inchikey "PHBUKTREHITDBU-BQLGRQSHSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12064" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16-,17+/m0/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-YESZJQIVSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12065" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_100692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22-,30+/m1/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-WOGZVKCMSA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12066" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b500 rdf:type owl:Restriction . obo:CHEBI_100693 rdfs:subClassOf _:b500 . _:b500 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_100693 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-QYZOEREBSA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12067" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_100694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17-,18-/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-BZSNNMDCSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12068" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_100695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-CIVUBGFFSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12069" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m0/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-DFIYOIEZSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12070" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)12-13-36)20-7-5-6-19(14-20)18-8-10-22(39-4)11-9-18/h5-11,14-15,24,36H,12-13,16-17H2,1-4H3,(H,33,37)/t24-,40-/m0/s1" ; chebi:inchikey "KLCJYDRSSANISD-KHMLVVKISA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12071" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-YCRNBWNJSA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12072" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_100699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22+/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-WJONJSRFSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12073" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_1007 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28210 ; owl:deprecated true . obo:CHEBI_10070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33308 . _:b501 rdf:type owl:Restriction . obo:CHEBI_10070 rdfs:subClassOf _:b501 . _:b501 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16204 . obo:CHEBI_10070 chebi:charge "0" ; chebi:formula "C10H12O4" ; chebi:inchi "InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3" ; chebi:inchikey "FBUBVLUPUDBFME-UHFFFAOYSA-N" ; chebi:mass "196.200" ; chebi:monoisotopicmass "196.07356" ; chebi:smiles "COc1cc(O)c(C(C)=O)c(OC)c1" ; oboInOwl:hasDbXref "CAS:90-24-4" ; oboInOwl:hasDbXref "KEGG:C10726" ; oboInOwl:hasDbXref "KNApSAcK:C00002710" ; oboInOwl:hasDbXref "LINCS:LSM-2254" ; oboInOwl:hasExactSynonym "Xanthoxylin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthoxylin" . _:b502 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10070 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:90-24-4" ; rdfs:label "KEGG COMPOUND" . _:b503 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10070 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanthoxylin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)23-19(14-30)18-13-28-21(22(18)29(23)12-15-8-10-27-11-9-15)7-6-17(24(28)31)16-4-2-3-5-20(16)26/h2-11,18-19,22-23,30H,12-14H2,1H3/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "SOHXSUHWQBDTJV-PJIZGREPSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]2N1CC5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12074" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32-,34+/m0/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-MBVGZTCASA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasDbXref "LINCS:LSM-12075" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24-,26+/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-NOOIUNMQSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12076" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_100703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19-,20+/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-SLFFLAALSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12077" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19-,21+,22-/m1/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-ZKMOHVOUSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@H]1CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12078" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O4S" ; chebi:inchi "InChI=1S/C29H34FN3O4S/c1-29(2,3)38(36)33-18-22-17-24(28(35)31-12-14-37-4)32-27(26(22)25(33)11-13-34)21-9-5-7-19(15-21)20-8-6-10-23(30)16-20/h5-10,15-17,25,34H,11-14,18H2,1-4H3,(H,31,35)/t25-,38-/m0/s1" ; chebi:inchikey "RYACMGXBLHGDBX-KUPGCWECSA-N" ; chebi:mass "539.664" ; chebi:monoisotopicmass "539.22541" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-12079" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-HMFYCAOWSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12080" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14-,15-/m0/s1" ; chebi:inchikey "FUQFZQORNFVFMN-CQDKDKBSSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-12081" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_100708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19-/m0/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-UHOSZYNNSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-12082" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-27-17-7-3-4-8-19(17)29(25,26)21-16-10-9-15(28-18(16)14-23)13-20(24)22-11-5-2-6-12-22/h3-4,7-10,15-16,18,21,23H,2,5-6,11-14H2,1H3/t15-,16+,18+/m0/s1" ; chebi:inchikey "LFPPDYCBOCBVHR-LZLYRXPVSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12083" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide" . obo:CHEBI_10071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C17H22O5" ; chebi:inchi "InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16+/m0/s1" ; chebi:inchikey "DPSCQKGSAHTWSP-LDYRWJSCSA-N" ; chebi:mass "306.354" ; chebi:monoisotopicmass "306.14672" ; chebi:smiles "C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC=C1[C@@H](CC(C)=O)OC(C)=O" ; oboInOwl:hasDbXref "CAS:26791-72-0" ; oboInOwl:hasDbXref "KEGG:C09603" ; oboInOwl:hasDbXref "KNApSAcK:C00003395" ; oboInOwl:hasExactSynonym "Xanthumin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthumin" . _:b504 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10071 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:26791-72-0" ; rdfs:label "KEGG COMPOUND" . _:b505 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10071 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanthumin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19-/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-TWKWOARYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12084" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12084" . obo:CHEBI_100711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30+,33+/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-LPUCVJQBSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12085" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12085" . obo:CHEBI_100712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19+,22-,24-/m0/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-ITNQAFBNSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-12086" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-22-10-13-35-14-11-22)37-31(30(27)29(38)12-15-39)26-9-5-8-25(17-26)24-7-4-6-23(16-24)19-34/h4-11,13-14,16-18,29,39H,12,15,20-21H2,1-3H3,(H,36,40)/t29-,42-/m0/s1" ; chebi:inchikey "AXJWSZCRWHPALT-WHAQVLKXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27+/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-LYPIBBCQSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12088" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22+,23-/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-JVSAHFFESA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12089" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-IMWIBFENSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12090" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28+/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-WENCSYSZSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12091" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_100718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-OKYOBFRVSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-12092" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "LOZCXWBJFMLABO-YDZRNGNQSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12093" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_10072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26507 ; rdfs:subClassOf obo:CHEBI_26512 . _:b506 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b506 . _:b506 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38157 . _:b507 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b507 . _:b507 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_61966 . _:b508 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b508 . _:b508 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_72483 . _:b509 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b509 . _:b509 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75767 . _:b510 rdf:type owl:Restriction . obo:CHEBI_10072 rdfs:subClassOf _:b510 . _:b510 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_71201 . obo:CHEBI_10072 obo:IAO_0000115 "A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8." ; chebi:charge "0" ; chebi:formula "C10H7NO4" ; chebi:inchi "InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)" ; chebi:inchikey "FBZONXHGGPHHIY-UHFFFAOYSA-N" ; chebi:mass "205.16690" ; chebi:monoisotopicmass "205.03751" ; chebi:smiles "OC(=O)c1cc(O)c2cccc(O)c2n1" ; oboInOwl:hasDbXref "CAS:59-00-7" ; oboInOwl:hasDbXref "HMDB:HMDB0000881" ; oboInOwl:hasDbXref "MetaCyc:XANTHURENATE" ; oboInOwl:hasDbXref "PMID:11045716" ; oboInOwl:hasDbXref "PMID:20617247" ; oboInOwl:hasDbXref "PMID:21188174" ; oboInOwl:hasDbXref "PMID:22036934" ; oboInOwl:hasDbXref "PMID:22491023" ; oboInOwl:hasDbXref "PMID:22701629" ; oboInOwl:hasDbXref "PMID:22770225" ; oboInOwl:hasDbXref "PMID:23139790" ; oboInOwl:hasDbXref "PMID:23303071" ; oboInOwl:hasDbXref "PMID:4614128" ; oboInOwl:hasDbXref "PMID:4886323" ; oboInOwl:hasDbXref "PMID:8598102" ; oboInOwl:hasDbXref "Reaxys:185954" ; oboInOwl:hasDbXref "Wikipedia:Xanthurenic_acid" ; oboInOwl:hasExactSynonym "4,8-dihydroxyquinoline-2-carboxylic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10072" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "xanthurenic acid" . _:b511 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:59-00-7" ; rdfs:label "ChemIDplus" . _:b512 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11045716" ; rdfs:label "Europe PMC" . _:b513 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20617247" ; rdfs:label "Europe PMC" . _:b514 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21188174" ; rdfs:label "Europe PMC" . _:b515 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22036934" ; rdfs:label "Europe PMC" . _:b516 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22491023" ; rdfs:label "Europe PMC" . _:b517 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22701629" ; rdfs:label "Europe PMC" . _:b518 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22770225" ; rdfs:label "Europe PMC" . _:b519 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23139790" ; rdfs:label "Europe PMC" . _:b520 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23303071" ; rdfs:label "Europe PMC" . _:b521 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:4614128" ; rdfs:label "Europe PMC" . _:b522 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:4886323" ; rdfs:label "Europe PMC" . _:b523 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8598102" ; rdfs:label "Europe PMC" . _:b524 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:185954" ; rdfs:label "Reaxys" . _:b525 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10072 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4,8-dihydroxyquinoline-2-carboxylic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_100720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26-,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-BXQNBQJFSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12094" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21-,23+,25+/m0/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-FEGXGRLVSA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12095" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_100722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-YXOQKGKWSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12096" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-NUJGCVRESA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasDbXref "LINCS:LSM-12097" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m0/s1" ; chebi:inchikey "SLFKQKCTISPXPS-OKZBNKHCSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12098" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12098" . obo:CHEBI_100725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22-/m1/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-ZMPRRUGASA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12099" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2S,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_100726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17+,24+/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-KCYKTTMJSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12100" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_100727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19+,21+/m0/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-NYSBEXSLSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12101" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_100728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22-/m0/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-XJABCFGWSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12102" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21-,24-,26+/m0/s1" ; chebi:inchikey "MRHMXTIRULDPKA-YKNOVDGGSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12103" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23403 ; chebi:charge "0" ; chebi:formula "C14H12O3" ; chebi:inchi "InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3" ; chebi:inchikey "QOTBQNVNUBKJMS-UHFFFAOYSA-N" ; chebi:mass "228.244" ; chebi:monoisotopicmass "228.07864" ; chebi:smiles "CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1" ; oboInOwl:hasDbXref "CAS:553-19-5" ; oboInOwl:hasDbXref "KEGG:C09317" ; oboInOwl:hasDbXref "KNApSAcK:C00002505" ; oboInOwl:hasExactSynonym "Xanthyletin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xanthyletin" . _:b526 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10073 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:553-19-5" ; rdfs:label "KEGG COMPOUND" . _:b527 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10073 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xanthyletin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-IECBHUPTSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12104" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_100731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17+/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-IKGGRYGDSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12105" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H28FN3O5" ; chebi:inchi "InChI=1S/C28H28FN3O5/c29-19-3-1-2-18(10-19)15-31-26(34)14-21-13-23-22-12-20(32-27(35)11-17-6-8-30-9-7-17)4-5-24(22)37-28(23)25(16-33)36-21/h1-10,12,21,23,25,28,33H,11,13-16H2,(H,31,34)(H,32,35)/t21-,23+,25+,28-/m0/s1" ; chebi:inchikey "JTKPUOMASGTZAW-BOYVHMQCSA-N" ; chebi:mass "505.538" ; chebi:monoisotopicmass "505.20130" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12106" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)22-19(14-30)21-13-29-20(23(22)28(21)12-15-3-2-10-27-11-15)9-8-18(24(29)31)16-4-6-17(26)7-5-16/h2-11,19,21-23,30H,12-14H2,1H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "VJGVMCSFSOLAAN-KZKAQZJJSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1N2CC5=CN=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12107" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12107" . obo:CHEBI_100734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14+/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-HONMWMINSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-12108" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_100735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24+/m0/s1" ; chebi:inchikey "MGTDWSJKTZULMI-OBWXTZQISA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12109" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_100736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19+/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-XIVBQZFQSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12110" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12110" . obo:CHEBI_100737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m1/s1" ; chebi:inchikey "AAENOGRDWGDRJO-PHVLTXCSSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12111" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12111" . obo:CHEBI_100738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17+,18+/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-SQNIBIBYSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12112" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_100739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18-,22-/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-JBYIUTFZSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12113" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_10074 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35703 ; owl:deprecated true . obo:CHEBI_100740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23-,25-/m1/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-NGCSHXQWSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12114" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21+,24-,26-/m1/s1" ; chebi:inchikey "MRHMXTIRULDPKA-LTOPPJTRSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12115" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20-/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-WSTLGDPDSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-12116" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12116" . obo:CHEBI_100743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-BIJSTVTOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12117" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m1/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-AABGKKOBSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12118" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22-,23-,24+/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-BUZMGHMJSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12119" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23+,25-/m1/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-NMVJMZGASA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12120" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_100747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23+/m0/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-XKDCRVNJSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-12121" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27+/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-RIACCQAKSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12122" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H36FN3O3S" ; chebi:inchi "InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-23-19-26(30(37)34-15-7-4-8-16-34)33-29(28(23)27(35)14-17-36)22-11-9-10-21(18-22)24-12-5-6-13-25(24)32/h5-6,9-13,18-19,27,36H,4,7-8,14-17,20H2,1-3H3/t27-,39-/m0/s1" ; chebi:inchikey "LDKZHRSADHZSDU-XGFTYPEHSA-N" ; chebi:mass "549.701" ; chebi:monoisotopicmass "549.24614" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12123" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_10075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33853 ; chebi:charge "0" ; chebi:formula "C16H16O3" ; chebi:inchi "InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+" ; chebi:inchikey "LOHIEGDVOARVPJ-NSCUHMNNSA-N" ; chebi:mass "256.297" ; chebi:monoisotopicmass "256.10994" ; chebi:smiles "COc1cc(O)ccc1C\\C=C\\c1ccc(O)cc1" ; oboInOwl:hasDbXref "CAS:76907-79-4" ; oboInOwl:hasDbXref "KEGG:C08731" ; oboInOwl:hasDbXref "KNApSAcK:C00002390" ; oboInOwl:hasExactSynonym "Xenognosin A" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xenognosin A" . _:b528 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10075 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:76907-79-4" ; rdfs:label "KEGG COMPOUND" . _:b529 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10075 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xenognosin A" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m0/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-SYZUXVNWSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12124" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12124" . obo:CHEBI_100751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C26H21N3O3" ; chebi:inchi "InChI=1S/C26H21N3O3/c1-32-21-6-4-5-19(15-21)9-8-18-10-12-20(13-11-18)25-23(16-27)29(24(25)17-30)26(31)22-7-2-3-14-28-22/h2-7,10-15,23-25,30H,17H2,1H3/t23-,24-,25+/m1/s1" ; chebi:inchikey "RQNIZPLHIPGYGU-SDHSZQHLSA-N" ; chebi:mass "423.464" ; chebi:monoisotopicmass "423.15829" ; chebi:smiles "COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12125" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_100752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14-,15+/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-KFWWJZLASA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasDbXref "LINCS:LSM-12126" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_100753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C26H33N3O3" ; chebi:inchi "InChI=1S/C26H33N3O3/c1-17-14-29(18(2)15-30)26(31)25-24(21-11-7-8-12-22(21)28(25)4)20-10-6-5-9-19(20)16-32-23(17)13-27-3/h5-12,17-18,23,27,30H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "NEAMIVWIATVNNI-PMAPCBKXSA-N" ; chebi:mass "435.560" ; chebi:monoisotopicmass "435.25219" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CNC)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12127" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12127" . obo:CHEBI_100754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-WUHHYYHUSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12128" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_100755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c1-16(17-6-4-3-5-7-17)28-25(32)24-21(15-31)20-14-30-22(23(20)29(24)2)9-8-19(26(30)33)18-10-12-27-13-11-18/h3-13,16,20-21,23-24,31H,14-15H2,1-2H3,(H,28,32)/t16-,20+,21+,23-,24+/m0/s1" ; chebi:inchikey "XRCXBUPUCMDVHO-QXGZYIMISA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]3N2C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12129" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m0/s1" ; chebi:inchikey "YUSKIZLEIJYDDG-RLBRRGQKSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@@H]([C@H]1C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12130" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22-/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-DMPWYTOCSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12131" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13-,17+/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-XNJGSVPQSA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12132" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_100759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-IEGUWTFLSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12133" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12133" . obo:CHEBI_10076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37667 ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1" ; chebi:inchikey "UQNONRHPSCIIJO-BNYHBGRESA-N" ; chebi:mass "246.302" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12" ; oboInOwl:hasDbXref "CAS:65017-97-2" ; oboInOwl:hasDbXref "KEGG:C09605" ; oboInOwl:hasDbXref "KNApSAcK:C00003396" ; oboInOwl:hasExactSynonym "Xerantholide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xerantholide" . _:b530 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10076 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:65017-97-2" ; rdfs:label "KEGG COMPOUND" . _:b531 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10076 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xerantholide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18+,19-/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-OTWHNJEPSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12134" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_100761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19-/m1/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-ZIFCJYIRSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12135" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_100762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18-,25+/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-GAKIBJFNSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12136" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_100763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18-,19-/m0/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-WDSOQIARSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12137" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2R,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_100764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "VRNJYJIECLSBHX-XEYPJELSSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12138" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_100765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-QLVXXPONSA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12139" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20+,21-/m0/s1" ; chebi:inchikey "MTMISLSQWFYTRE-BURNTYAHSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12140" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_100767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-XHSDSOJGSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12141" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C16H21NO5" ; chebi:inchi "InChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14-,16-/m1/s1" ; chebi:inchikey "MUGALHVVQCOZES-HTWGDNNSSA-N" ; chebi:mass "307.342" ; chebi:monoisotopicmass "307.14197" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12142" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "APRVPIVHITUHLQ-GGJMMHKRSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12143" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12143" . obo:CHEBI_10077 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37166 ; owl:deprecated true . obo:CHEBI_100770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-XHNVNVPESA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12144" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-BBWFWOEESA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12145" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18+,20+/m0/s1" ; chebi:inchikey "RXPZKEATMSRBBD-ILZDJORESA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12146" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18+,20-/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-WSTZPKSXSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12147" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "IQLGILJFFYEPBE-YDIMBITNSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12148" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_100775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23+,24-/m1/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-BKXMBWNOSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12149" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25+,27+,29-/m0/s1" ; chebi:inchikey "AJAMEWYBAUQISK-VWGZZBOQSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12150" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19+/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-LMMKCTJWSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12151" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_100778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32+,45+/m0/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-MSSXPUBGSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12152" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25+,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DPQCAWRDSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12153" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10078 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17151 ; owl:deprecated true . obo:CHEBI_100780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19-,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-VUBSUSDNSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-12154" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12154" . obo:CHEBI_100781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20+,22-/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-ZMUPPCTCSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12155" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "HYQMBLXITOJPAN-WWUYVNTOSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12156" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_100783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27-,29-/m0/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-KLPDMWAPSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12157" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_100784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H25N3O4" ; chebi:inchi "InChI=1S/C25H25N3O4/c1-32-25(31)23-20(15-29)19-14-27-21(22(19)28(23)13-17-9-5-6-12-26-17)11-10-18(24(27)30)16-7-3-2-4-8-16/h2-12,19-20,22-23,29H,13-15H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "HHLLHWFWRSRSTM-YXPKMTABSA-N" ; chebi:mass "431.485" ; chebi:monoisotopicmass "431.18451" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]2N1CC5=CC=CC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12158" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_100785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20-,22+/m0/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-RCZSKKKRSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12159" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19-,22+,24+/m0/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-XZGZTLBWSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-12160" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21-/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-DBXWQHBBSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12161" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_100788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16-,23+/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-PBPSECFOSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12162" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25+/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-WYEJZRMESA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12163" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_10079 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16772 ; owl:deprecated true . obo:CHEBI_100790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-JXQFQVJHSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12164" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_100791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7-,8-/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-BWZBUEFSSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@H](O1)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-12165" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14+/m1/s1" ; chebi:inchikey "BHRCWANBCSKYFS-RDBSUJKOSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12166" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_100793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m1/s1" ; chebi:inchikey "BOKKRFULVUTARF-WGYMDGOUSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12167" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_100794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22-,24-/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-IHLLOCCUSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12168" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_100795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18+,20-,23-/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-IRLNJFMJSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12169" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_100796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,21+,24+/m1/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-TXLPUILGSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12170" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_100797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36N4O7S" ; chebi:inchi "InChI=1S/C29H36N4O7S/c1-18-8-7-9-23(12-18)41(36,37)33-15-19(2)27(38-6)16-32(5)29(35)24-14-22(10-11-26(24)39-17-20(33)3)30-28(34)25-13-21(4)40-31-25/h7-14,19-20,27H,15-17H2,1-6H3,(H,30,34)/t19-,20-,27-/m1/s1" ; chebi:inchikey "JQKUTVGMEZZDSF-SEXOINJZSA-N" ; chebi:mass "584.686" ; chebi:monoisotopicmass "584.23047" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC(=C4)C" ; oboInOwl:hasDbXref "LINCS:LSM-12171" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(3-methylphenyl)sulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H29N5O4" ; chebi:inchi "InChI=1S/C26H29N5O4/c32-14-21-20-13-30-22(5-4-19(25(30)33)17-6-8-27-9-7-17)23(20)31(12-18-15-35-16-28-18)24(21)26(34)29-10-2-1-3-11-29/h4-9,15-16,20-21,23-24,32H,1-3,10-14H2/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "KRPKJWJGWXBFEA-CJTFWIGWSA-N" ; chebi:mass "475.541" ; chebi:monoisotopicmass "475.22195" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]3N2CC6=COC=N6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12172" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_100799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19-/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-LNLFQRSKSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12173" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_1008 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15914 ; owl:deprecated true . obo:CHEBI_10080 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28309 ; owl:deprecated true . obo:CHEBI_100800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19+,21+,22-/m0/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-MQYXYMALSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@H]1CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12174" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22-,28+/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-XJGOYTCSSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12175" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12175" . obo:CHEBI_100802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-NOMHHCBYSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12176" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12176" . obo:CHEBI_100803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26-,28-/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-UKTDVOJESA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12177" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m0/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-BURCIIJTSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12178" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12178" . obo:CHEBI_100805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-GUXCAODWSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12179" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_100806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16-,17+,18-/m0/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-FJIDUMEYSA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12180" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22-,24+,27+/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-ZMQLRHKASA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12181" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_100808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-AYEZKCMBSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12182" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22-,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-RJESQKRESA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12183" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12183" . obo:CHEBI_10081 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18233 ; owl:deprecated true . obo:CHEBI_100810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17+,22+,23-/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-YHFSLCLQSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12184" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-KGVIQGDOSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12185" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_100812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-UETOGOEVSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12186" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12186" . obo:CHEBI_100813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-PONJGIIJSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12187" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H28N2O7S" ; chebi:inchi "InChI=1S/C24H28N2O7S/c27-15-22-24-20(13-17(32-22)14-23(28)26-8-10-31-11-9-26)19-12-16(6-7-21(19)33-24)25-34(29,30)18-4-2-1-3-5-18/h1-7,12,17,20,22,24-25,27H,8-11,13-15H2/t17-,20+,22-,24-/m1/s1" ; chebi:inchikey "CJNJMLGGDUQPOS-LWSJSWBQSA-N" ; chebi:mass "488.555" ; chebi:monoisotopicmass "488.16172" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12188" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide" . obo:CHEBI_100815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-WTGUMLROSA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12189" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_100816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m1/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-PBDKAQRYSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12190" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_100817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O4" ; chebi:inchi "InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m1/s1" ; chebi:inchikey "BENJSVFNXVDSQO-BOYVUMAVSA-N" ; chebi:mass "553.692" ; chebi:monoisotopicmass "553.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12191" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12191" . obo:CHEBI_100818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25-,27+/m1/s1" ; chebi:inchikey "PHBUKTREHITDBU-BQGNDZODSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12192" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19+/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-GBESFXJTSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12193" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_10082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C16H24N2" ; chebi:inchi "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)" ; chebi:inchikey "HUCJFAOMUPXHDK-UHFFFAOYSA-N" ; chebi:mass "244.376" ; chebi:monoisotopicmass "244.19395" ; chebi:smiles "Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C" ; oboInOwl:hasDbXref "CAS:526-36-3" ; oboInOwl:hasDbXref "Drug_Central:3658" ; oboInOwl:hasDbXref "KEGG:C07913" ; oboInOwl:hasDbXref "KEGG:D08684" ; oboInOwl:hasDbXref "LINCS:LSM-5262" ; oboInOwl:hasExactSynonym "Xylometazoline" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "otrivine" ; oboInOwl:hasRelatedSynonym "rhinoxilin" ; oboInOwl:hasRelatedSynonym "xylometazoline HCl" ; oboInOwl:hasRelatedSynonym "xylometazoline hydrochloride" ; oboInOwl:id "CHEBI:10082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylometazoline" . _:b532 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:526-36-3" ; rdfs:label "KEGG COMPOUND" . _:b533 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:3658" ; rdfs:label "DrugCentral" . _:b534 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xylometazoline" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b535 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "otrivine" ; oboInOwl:hasDbXref "DrugCentral" . _:b536 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "rhinoxilin" ; oboInOwl:hasDbXref "DrugCentral" . _:b537 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "xylometazoline HCl" ; oboInOwl:hasDbXref "DrugCentral" . _:b538 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10082 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "xylometazoline hydrochloride" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_100820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C21H26N4O4" ; chebi:inchi "InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "PJVBFVCJEZYLHS-SMMRIJLZSA-N" ; chebi:mass "398.456" ; chebi:monoisotopicmass "398.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=COC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12194" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12194" . obo:CHEBI_100821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16-,21-/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-QYWGDWMGSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12195" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H25N3O6S" ; chebi:inchi "InChI=1S/C25H25N3O6S/c1-15-6-3-4-8-21(15)35(32,33)28-20-13-27-19(23(28)22(18(20)14-29)25(31)34-2)10-9-17(24(27)30)16-7-5-11-26-12-16/h3-12,18,20,22-23,29H,13-14H2,1-2H3/t18-,20-,22+,23+/m1/s1" ; chebi:inchikey "IMWJJLFBFPCGES-SQMBMXPBSA-N" ; chebi:mass "495.550" ; chebi:monoisotopicmass "495.14641" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12196" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12196" . obo:CHEBI_100823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24+,26+/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-LFSKCEFNSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12197" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H31N5O4" ; chebi:inchi "InChI=1S/C25H31N5O4/c1-28(2)13-21(32)30-20-12-29-19(9-8-17(25(29)34)15-5-4-10-26-11-15)23(30)22(18(20)14-31)24(33)27-16-6-3-7-16/h4-5,8-11,16,18,20,22-23,31H,3,6-7,12-14H2,1-2H3,(H,27,33)/t18-,20-,22+,23+/m1/s1" ; chebi:inchikey "BUXSVEZUKJHFER-SQMBMXPBSA-N" ; chebi:mass "465.546" ; chebi:monoisotopicmass "465.23760" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12198" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12198" . obo:CHEBI_100825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H22FN3O4" ; chebi:inchi "InChI=1S/C21H22FN3O4/c1-23(2)21(29)18-14(11-26)16-10-24-15(4-3-5-17(24)27)19(18)25(16)20(28)12-6-8-13(22)9-7-12/h3-9,14,16,18-19,26H,10-11H2,1-2H3/t14-,16-,18+,19+/m1/s1" ; chebi:inchikey "BBMUHFCQMOUBDR-JZGRTCEGSA-N" ; chebi:mass "399.416" ; chebi:monoisotopicmass "399.15943" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)C4=CC=C(C=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12199" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12199" . obo:CHEBI_100826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14-/m1/s1" ; chebi:inchikey "BHRCWANBCSKYFS-HZSPNIEDSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12200" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_100827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20+/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-XUVXKRRUSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12201" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_100828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15+,19-/m0/s1" ; chebi:inchikey "AZDABJQXNZGANX-KHYOSLBOSA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN[C@@H](CO2)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12202" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H37N3O5S" ; chebi:inchi "InChI=1S/C30H37N3O5S/c1-30(2,3)39(36)33-19-23-18-25(29(35)31-13-15-37-4)32-28(27(23)26(33)12-14-34)22-10-6-8-20(16-22)21-9-7-11-24(17-21)38-5/h6-11,16-18,26,34H,12-15,19H2,1-5H3,(H,31,35)/t26-,39?/m1/s1" ; chebi:inchikey "NSGNWJNYRBQKFH-ZFPLWWAGSA-N" ; chebi:mass "551.699" ; chebi:monoisotopicmass "551.24539" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-12203" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_134209 ; chebi:charge "0" ; chebi:formula "C18H17NO3" ; chebi:inchi "InChI=1S/C18H17NO3/c1-20-12-2-3-13-11(6-12)7-14-16-10(4-5-19-14)8-15-18(17(13)16)22-9-21-15/h2-3,6,8,14,19H,4-5,7,9H2,1H3/t14-/m1/s1" ; chebi:inchikey "RFWCCZDSXIZJMF-CQSZACIVSA-N" ; chebi:mass "295.333" ; chebi:monoisotopicmass "295.12084" ; chebi:smiles "COc1ccc-2c(C[C@H]3NCCc4cc5OCOc5c-2c34)c1" ; oboInOwl:hasDbXref "CAS:517-71-5" ; oboInOwl:hasDbXref "KEGG:C09670" ; oboInOwl:hasDbXref "KNApSAcK:C00001928" ; oboInOwl:hasExactSynonym "Xylopine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylopine" . _:b539 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10083 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:517-71-5" ; rdfs:label "KEGG COMPOUND" . _:b540 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10083 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xylopine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22-/m0/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-DMPWYTOCSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12204" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XLNTUCKNSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12205" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25+/m1/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-UZEJHQAJSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12206" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20-/m0/s1" ; chebi:inchikey "RXPZKEATMSRBBD-QRFRQXIXSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12207" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "NKPFHNDONDWVBL-GBESFXJTSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12208" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O7S" ; chebi:inchi "InChI=1S/C24H37N3O7S/c1-16-13-27(23(28)18-8-10-33-11-9-18)17(2)15-34-21-7-6-19(25-35(5,30)31)12-20(21)24(29)26(3)14-22(16)32-4/h6-7,12,16-18,22,25H,8-11,13-15H2,1-5H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "NPOMWXYRXNIYSA-PNLZDCPESA-N" ; chebi:mass "511.633" ; chebi:monoisotopicmass "511.23522" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12209" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_100836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26+,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-LCBFVJPYSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12210" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24-,26-/m1/s1" ; chebi:inchikey "UVPONYOZSFJNDG-LTOPPJTRSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12211" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H25F4N3O6S" ; chebi:inchi "InChI=1S/C24H25F4N3O6S/c1-31-19-7-6-17(11-22(32)29-15-4-2-3-14(25)9-15)37-21(19)12-36-20-8-5-16(10-18(20)23(31)33)30-38(34,35)13-24(26,27)28/h2-5,8-10,17,19,21,30H,6-7,11-13H2,1H3,(H,29,32)/t17-,19+,21-/m1/s1" ; chebi:inchikey "JANDXLXOJLINPI-SLYNCCJLSA-N" ; chebi:mass "559.532" ; chebi:monoisotopicmass "559.14002" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC(F)(F)F)CC(=O)NC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12212" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-fluorophenyl)acetamide" . obo:CHEBI_100839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-19-15-33(16-21-9-10-21)20(2)18-38-26-12-11-23(14-25(26)28(34)32(3)17-27(19)37-5)31-29(35)30-22-7-6-8-24(13-22)36-4/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H2,30,31,35)/t19-,20-,27+/m0/s1" ; chebi:inchikey "NFEVTECKVPPYCJ-OWOAZTCBSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12213" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_10084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22315 ; chebi:charge "0" ; chebi:formula "C21H25NO4" ; chebi:inchi "InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1" ; chebi:inchikey "YOAUKNYXWBTMMF-KRWDZBQOSA-N" ; chebi:mass "355.428" ; chebi:monoisotopicmass "355.17836" ; chebi:smiles "COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2cc1OC" ; oboInOwl:hasDbXref "CAS:523-02-4" ; oboInOwl:hasDbXref "KEGG:C09671" ; oboInOwl:hasDbXref "KNApSAcK:C00001929" ; oboInOwl:hasExactSynonym "Xylopinine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Norcoralydine" ; oboInOwl:id "CHEBI:10084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Xylopinine" . _:b541 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10084 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:523-02-4" ; rdfs:label "KEGG COMPOUND" . _:b542 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10084 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Xylopinine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b543 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10084 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Norcoralydine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-KJYLGWKASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12214" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12214" . obo:CHEBI_100841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-SYZUXVNWSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12215" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12215" . obo:CHEBI_100842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12-,14+,16+/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-ILHHOCCXSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12216" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b544 rdf:type owl:Restriction . obo:CHEBI_100843 rdfs:subClassOf _:b544 . _:b544 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100843 chebi:charge "0" ; chebi:formula "C25H28FN3O3" ; chebi:inchi "InChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "NDSDOOPKNRYURC-SCPDWHHUSA-N" ; chebi:mass "437.507" ; chebi:monoisotopicmass "437.21147" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NCC5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12217" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12217" . obo:CHEBI_100844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N4O3" ; chebi:inchi "InChI=1S/C17H28N4O3/c1-11(2)15-9-21(20-19-15)8-7-13-5-6-14(16(10-22)24-13)18-17(23)12-3-4-12/h9,11-14,16,22H,3-8,10H2,1-2H3,(H,18,23)/t13-,14-,16-/m1/s1" ; chebi:inchikey "TWVDNKQJDYICCW-IIAWOOMASA-N" ; chebi:mass "336.430" ; chebi:monoisotopicmass "336.21614" ; chebi:smiles "CC(C)C1=CN(N=N1)CC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12218" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_100845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O4" ; chebi:inchi "InChI=1S/C23H26FN3O4/c1-4-19(29)27-20-16(17(12-28)21(27)23(31)25(2)3)11-26-18(20)10-9-15(22(26)30)13-5-7-14(24)8-6-13/h5-10,16-17,20-21,28H,4,11-12H2,1-3H3/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "OMUHXYIQFYOIMG-SGLNWRHMSA-N" ; chebi:mass "427.470" ; chebi:monoisotopicmass "427.19073" ; chebi:smiles "CCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)N(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12219" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H28N4O4" ; chebi:inchi "InChI=1S/C28H28N4O4/c1-30(2)28(36)25-22(17-33)21-16-31-23(24(21)32(25)27(35)20-9-6-14-29-15-20)13-12-19(26(31)34)11-10-18-7-4-3-5-8-18/h3-15,21-22,24-25,33H,16-17H2,1-2H3/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "JLXJOKBWOBKOCH-YQIMAOPZSA-N" ; chebi:mass "484.547" ; chebi:monoisotopicmass "484.21106" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]2N1C(=O)C5=CN=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12220" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12220" . obo:CHEBI_100847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "IDLNHXHJUITYBI-WTGUMLROSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12221" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18+,20+/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-HBFSDRIKSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12222" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-JYJNAYRXSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12223" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10085 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18222 ; owl:deprecated true . obo:CHEBI_100850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17+,22-,23+/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-RZRCNZQPSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12224" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29+/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-QFWOEDSFSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12225" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12225" . obo:CHEBI_100852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24+,30+/m1/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-QEGDFHJFSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12226" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12226" . obo:CHEBI_100853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-IPVFLDMMSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12227" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12227" . obo:CHEBI_100854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-LFYAFONDSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12228" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12228" . obo:CHEBI_100855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26-/m0/s1" ; chebi:inchikey "XLOJZIOISXYGBL-UZINWLIJSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12229" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_100856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20+/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-KPFFTGBYSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12230" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20+/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-XKGZKEIXSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12231" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_100858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17-,19-,21+/m0/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-WRGRXTPVSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-12232" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18-,24-/m0/s1" ; chebi:inchikey "DILHJWACXDWAEF-XFAGBWLFSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12233" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_10086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C27H42O3" ; chebi:inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1" ; chebi:inchikey "WQLVFSAGQJTQCK-CAKNJAFZSA-N" ; chebi:mass "414.622" ; chebi:monoisotopicmass "414.31340" ; chebi:smiles "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1" ; oboInOwl:hasDbXref "CAS:512-06-1" ; oboInOwl:hasDbXref "KEGG:C08918" ; oboInOwl:hasDbXref "KNApSAcK:C00003597" ; oboInOwl:hasExactSynonym "Yamogenin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yamogenin" . _:b545 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10086 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:512-06-1" ; rdfs:label "KEGG COMPOUND" . _:b546 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10086 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yamogenin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22+/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-AGHHOFFYSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12234" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_100861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b547 rdf:type owl:Restriction . obo:CHEBI_100861 rdfs:subClassOf _:b547 . _:b547 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_100861 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19-/m0/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-OTWHNJEPSA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12235" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_100862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C16H17N3OS" ; chebi:inchi "InChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15+/m0/s1" ; chebi:inchikey "AVGQIEGBBUBHIP-SOUVJXGZSA-N" ; chebi:mass "299.392" ; chebi:monoisotopicmass "299.10923" ; chebi:smiles "CC1=C(SC(=N1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-12236" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H40N4O3S" ; chebi:inchi "InChI=1S/C30H40N4O3S/c1-30(2,3)38(37)34-20-24-19-25(29(36)33-15-13-32(4)14-16-33)31-28(27(24)26(34)12-17-35)23-11-7-10-22(18-23)21-8-5-6-9-21/h7-8,10-11,18-19,26,35H,5-6,9,12-17,20H2,1-4H3/t26-,38-/m0/s1" ; chebi:inchikey "VSPYGNDYHLSTDT-WTMVGVENSA-N" ; chebi:mass "536.731" ; chebi:monoisotopicmass "536.28211" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12237" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_100864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-37-29-8-3-2-6-25(29)17-33-31(36)16-27-9-10-28-30(39-27)21-38-20-26(35)19-34(28)18-22-5-4-7-24(15-22)23-11-13-32-14-12-23/h2-8,11-15,26-28,30,35H,9-10,16-21H2,1H3,(H,33,36)/t26-,27-,28+,30-/m0/s1" ; chebi:inchikey "IQZRHVPMCXNVFS-XPMOVWHWSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12238" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m0/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-GNBJCERTSA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasDbXref "LINCS:LSM-12239" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_100866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26-/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-UYXZNNOOSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12240" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_100867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "REZGKQRSIIUNQT-IXFSTUDKSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12241" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_100868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22-,24-/m0/s1" ; chebi:inchikey "SADUCKDCBXEUGG-FVSDWULHSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12242" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20-/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-UFYCRDLUSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12243" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_10087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C39H62O12" ; chebi:inchi "InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1" ; chebi:inchikey "HDXIQHTUNGFJIC-SFYWSABLSA-N" ; chebi:mass "722.904" ; chebi:monoisotopicmass "722.42413" ; chebi:smiles "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1" ; oboInOwl:hasDbXref "CAS:110996-52-6" ; oboInOwl:hasDbXref "KEGG:C08919" ; oboInOwl:hasDbXref "KNApSAcK:C00003598" ; oboInOwl:hasExactSynonym "Yamogenin 3-O-neohesperidoside" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yamogenin 3-O-neohesperidoside" . _:b548 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10087 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:110996-52-6" ; rdfs:label "KEGG COMPOUND" . _:b549 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10087 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yamogenin 3-O-neohesperidoside" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12-,13+/m0/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-WCFLWFBJSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-12244" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_100871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18+,19+/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-QXAKKESOSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12245" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_100872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28+/m0/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-PFPZSTESSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12246" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_100873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "MWTQFHHONBVRQP-LTIDMASMSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12247" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_100874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22+,24-/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-HJBWUJCXSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12248" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_100875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-XLNZFTOWSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12249" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12249" . obo:CHEBI_100876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25+,27-/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-WFHOOFKDSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12250" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c27-11-15-17-10-25-16(2-1-3-18(25)28)20(26(17)9-13-4-5-13)19(15)21(29)23-8-14-6-7-22-12-24-14/h1-3,6-7,12-13,15,17,19-20,27H,4-5,8-11H2,(H,23,29)/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "QFGPTMNHKNKAJU-BEKAIBRUSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "C1CC1CN2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NCC5=NC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12251" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12251" . obo:CHEBI_100878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-SLFFLAALSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasDbXref "LINCS:LSM-12252" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_100879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N3O5S" ; chebi:inchi "InChI=1S/C34H35N3O5S/c1-34(2,3)43(40)37-20-26-18-27(33(39)35-19-22-12-13-29-30(16-22)42-21-41-29)36-32(31(26)28(37)14-15-38)25-11-7-10-24(17-25)23-8-5-4-6-9-23/h4-13,16-18,28,38H,14-15,19-21H2,1-3H3,(H,35,39)/t28-,43-/m1/s1" ; chebi:inchikey "ONCHJBADZSUODG-HOHRNCFUSA-N" ; chebi:mass "597.726" ; chebi:monoisotopicmass "597.22974" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12253" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-phenylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25036 ; chebi:charge "0" ; chebi:formula "C24H30O8" ; chebi:inchi "InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1" ; chebi:inchikey "HRLFUIXSXUASEX-RZTYQLBFSA-N" ; chebi:mass "446.491" ; chebi:monoisotopicmass "446.19407" ; chebi:smiles "COc1cc(cc(OC)c1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1" ; oboInOwl:hasDbXref "CAS:13060-14-5" ; oboInOwl:hasDbXref "KEGG:C10894" ; oboInOwl:hasDbXref "KNApSAcK:C00000642" ; oboInOwl:hasExactSynonym "Yangambin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Lirioresinol-B dimethyl ether" ; oboInOwl:id "CHEBI:10088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yangambin" . _:b550 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10088 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:13060-14-5" ; rdfs:label "KEGG COMPOUND" . _:b551 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10088 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yangambin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b552 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10088 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Lirioresinol-B dimethyl ether" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22-,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ITTMOLIUSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12254" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_100881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25-/m0/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-CEYNDMKZSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12255" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12255" . obo:CHEBI_100882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b553 rdf:type owl:Restriction . obo:CHEBI_100882 rdfs:subClassOf _:b553 . _:b553 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_100882 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19+/m1/s1" ; chebi:inchikey "DNWBFORDJWKZCR-LMMKCTJWSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12256" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23-,30-/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-IQLGONJTSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12257" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12257" . obo:CHEBI_100884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H25N3O5S" ; chebi:inchi "InChI=1S/C16H25N3O5S/c1-2-25(22,23)19-14-7-6-13(24-15(14)11-20)9-16(21)18-10-12-5-3-4-8-17-12/h3-5,8,13-15,19-20H,2,6-7,9-11H2,1H3,(H,18,21)/t13-,14+,15+/m0/s1" ; chebi:inchikey "MEPVQKQIDHVRNZ-RRFJBIMHSA-N" ; chebi:mass "371.454" ; chebi:monoisotopicmass "371.15149" ; chebi:smiles "CCS(=O)(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=N2" ; oboInOwl:hasDbXref "LINCS:LSM-12258" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_100885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-DFQMGKBUSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12259" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-RWUBSVTLSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12260" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H26N2O6" ; chebi:inchi "InChI=1S/C15H26N2O6/c1-2-5-16-15(21)17-7-10(18)8-22-9-13-12(17)4-3-11(23-13)6-14(19)20/h10-13,18H,2-9H2,1H3,(H,16,21)(H,19,20)/t10-,11-,12-,13+/m0/s1" ; chebi:inchikey "DUBDZBJJIAHCBK-ZDEQEGDKSA-N" ; chebi:mass "330.377" ; chebi:monoisotopicmass "330.17909" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12261" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(propylamino)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_100888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26-,27+,30-/m1/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-KMFVSHEXSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12262" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_100889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25+,27+/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DDMNXORRSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12263" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_75885 ; chebi:charge "0" ; chebi:formula "C15H14O4" ; chebi:inchi "InChI=1S/C15H14O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-10H,1-2H3/b8-5+" ; chebi:inchikey "XLHIYUYCSMZCCC-VMPITWQZSA-N" ; chebi:mass "258.270" ; chebi:monoisotopicmass "258.08921" ; chebi:smiles "COc1ccc(cc1)\\C=C\\c1cc(OC)cc(=O)o1" ; oboInOwl:hasDbXref "CAS:500-62-9" ; oboInOwl:hasDbXref "KEGG:C09980" ; oboInOwl:hasDbXref "KNApSAcK:C00003024" ; oboInOwl:hasExactSynonym "Yangonin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one" ; oboInOwl:id "CHEBI:10089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yangonin" . _:b554 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10089 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:500-62-9" ; rdfs:label "KEGG COMPOUND" . _:b555 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10089 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yangonin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b556 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10089 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-BRWVUGGUSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12264" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_100891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18-,24+/m1/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-GGUMNFRJSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-12265" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_100892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23-,24+/m0/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-KELGSRBJSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12266" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_100893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H25FN4O3" ; chebi:inchi "InChI=1S/C25H25FN4O3/c26-17-3-1-16(2-4-17)18-5-6-21-23-22(19(14-31)20(29-23)13-30(21)25(18)33)24(32)28-12-9-15-7-10-27-11-8-15/h1-8,10-11,19-20,22-23,29,31H,9,12-14H2,(H,28,32)/t19-,20-,22+,23+/m1/s1" ; chebi:inchikey "FVDKOQJIZWFRLQ-SCPDWHHUSA-N" ; chebi:mass "448.490" ; chebi:monoisotopicmass "448.19107" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC=C(C=C4)F)C(=O)NCCC5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12267" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12267" . obo:CHEBI_100894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27-,29+/m1/s1" ; chebi:inchikey "AJAMEWYBAUQISK-AMOMVJEUSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12268" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O5" ; chebi:inchi "InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24+,31+/m1/s1" ; chebi:inchikey "GHOSBDATJBJZOG-OXYPMYLPSA-N" ; chebi:mass "598.733" ; chebi:monoisotopicmass "598.31552" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12269" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12269" . obo:CHEBI_100896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-NAVOZUGXSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12270" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_100897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C31H36N2O6" ; chebi:inchi "InChI=1S/C31H36N2O6/c1-21-17-33(22(2)19-34)30(35)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-38-29(21)18-32(3)31(36)39-25-15-13-24(37-4)14-16-25/h5-16,21-22,29,34H,17-20H2,1-4H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "FTPUTVYFFNSJIR-QLVXXPONSA-N" ; chebi:mass "532.629" ; chebi:monoisotopicmass "532.25734" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12271" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12271" . obo:CHEBI_100898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H35N3O6" ; chebi:inchi "InChI=1S/C31H35N3O6/c1-20-15-34(21(2)17-35)30(36)26-11-7-6-10-25(26)24-9-5-4-8-22(24)18-38-29(20)16-33(3)31(37)32-23-12-13-27-28(14-23)40-19-39-27/h4-14,20-21,29,35H,15-19H2,1-3H3,(H,32,37)/t20-,21+,29+/m0/s1" ; chebi:inchikey "APWUXYFXBMGRIO-BNJCFXFUSA-N" ; chebi:mass "545.627" ; chebi:monoisotopicmass "545.25259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12272" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12272" . obo:CHEBI_100899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21+/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-NBHGPNQESA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12273" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_1009 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18206 ; owl:deprecated true . obo:CHEBI_100900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-SEPYTNNBSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12274" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23+,25+,27-/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-NOGZMFEUSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12275" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19-,21-/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-LRQRDZAKSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12276" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18+,19-,20+/m0/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-ZGXWSNOMSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12277" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "KNLROJRONDBMAV-YVHKJVDXSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12278" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_100905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18+,20+/m1/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-KPFFTGBYSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12279" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_100906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19-,22-/m0/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-IPJJNNNSSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12280" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_100907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23-,25+,27+/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-DDMNXORRSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12281" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19+/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-KVSKMBFKSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12282" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_100909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-MCFFVMPBSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12283" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_100910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14-,15-/m1/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-RBSFLKMASA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12284" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_100911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N5O3S" ; chebi:inchi "InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-17-13-23-11-15-36-16-12-23)38-32(31(28)30(39)14-18-40)27-6-4-5-26(19-27)25-9-7-24(21-35)8-10-25/h4-12,15-16,19-20,30,40H,13-14,17-18,22H2,1-3H3,(H,37,41)/t30-,43-/m1/s1" ; chebi:inchikey "SEESJXJXYIRQQP-QHKNHCAJSA-N" ; chebi:mass "593.741" ; chebi:monoisotopicmass "593.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12285" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18+/m0/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-LZLYRXPVSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasDbXref "LINCS:LSM-12286" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20-/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-GQIGUUNPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12287" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26+/m1/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-KYTVRQNUSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12288" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_100915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-IOKPGSKQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12289" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12289" . obo:CHEBI_100916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-DFICYWPVSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12290" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_100917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13(14-7-4-3-5-8-14)22-21(27)20-16(12-25)15-11-23-17(9-6-10-18(23)26)19(15)24(20)30(2,28)29/h3-10,13,15-16,19-20,25H,11-12H2,1-2H3,(H,22,27)/t13-,15+,16+,19-,20+/m0/s1" ; chebi:inchikey "LURAPRBVZDLHCY-FQCQXKDLSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12291" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_100918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18+,22-/m0/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-SVMVAKDDSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12292" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_100919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17-,21+/m1/s1" ; chebi:inchikey "VNTQRTFIXZLISU-LZJOCLMNSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12293" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61778 ; chebi:charge "0" ; chebi:formula "C43H68O15" ; chebi:inchi "InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39-,40-,41+,42+,43-/m0/s1" ; chebi:inchikey "IDTIOCYBMWJUGJ-JEEHKKCPSA-N" ; chebi:mass "824.993" ; chebi:monoisotopicmass "824.45582" ; chebi:smiles "COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O" ; oboInOwl:hasDbXref "CAS:80311-28-0" ; oboInOwl:hasDbXref "KEGG:C08990" ; oboInOwl:hasDbXref "KNApSAcK:C00003560" ; oboInOwl:hasExactSynonym "Yiamoloside B" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Yiamoloside B" . _:b557 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10092 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:80311-28-0" ; rdfs:label "KEGG COMPOUND" . _:b558 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10092 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yiamoloside B" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-JGZRHYTASA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12294" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12294" . obo:CHEBI_100921 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_8107 ; owl:deprecated true . obo:CHEBI_100922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; rdfs:subClassOf obo:CHEBI_25340 ; rdfs:subClassOf obo:CHEBI_38733 . _:b559 rdf:type owl:Restriction . obo:CHEBI_100922 rdfs:subClassOf _:b559 . _:b559 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_91202 . obo:CHEBI_100922 obo:IAO_0000115 "A member of the class of imidazoles carrying tert-butyl, 1,3-benzodioxol-5-yl and 6-methylpyridin-2-yl substituents at positions 2, 4 and 5 respectively." ; chebi:charge "0" ; chebi:formula "C20H21N3O2" ; chebi:inchi "InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)" ; chebi:inchikey "WGZOTBUYUFBEPZ-UHFFFAOYSA-N" ; chebi:mass "335.400" ; chebi:monoisotopicmass "335.16338" ; chebi:smiles "N1=C(C=CC=C1C=2NC(=NC2C3=CC=4OCOC4C=C3)C(C)(C)C)C" ; oboInOwl:hasDbXref "PMID:26343586" ; oboInOwl:hasDbXref "PMID:26363490" ; oboInOwl:hasDbXref "PMID:26427712" ; oboInOwl:hasDbXref "PMID:26531758" ; oboInOwl:hasDbXref "PMID:26586478" ; oboInOwl:hasDbXref "PMID:26984936" ; oboInOwl:hasDbXref "Reaxys:11751238" ; oboInOwl:hasExactSynonym "2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2-[4-(1,3-benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methyl-pyridin" ; oboInOwl:hasRelatedSynonym "SB-505124" ; oboInOwl:hasRelatedSynonym "SB505124" ; oboInOwl:id "CHEBI:100922" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "SB 505124" . _:b560 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26343586" ; rdfs:label "Europe PMC" . _:b561 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26363490" ; rdfs:label "Europe PMC" . _:b562 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26427712" ; rdfs:label "Europe PMC" . _:b563 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26531758" ; rdfs:label "Europe PMC" . _:b564 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26586478" ; rdfs:label "Europe PMC" . _:b565 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26984936" ; rdfs:label "Europe PMC" . _:b566 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:11751238" ; rdfs:label "Reaxys" . _:b567 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b568 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-[4-(1,3-benzodioxol-5-yl)-2-(1,1-dimethylethyl)-1H-imidazol-5-yl]-6-methyl-pyridin" ; oboInOwl:hasDbXref "ChEBI" . _:b569 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "SB-505124" ; oboInOwl:hasDbXref "ChEBI" . _:b570 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_100922 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "SB505124" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_100923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)11-12-36)20-9-5-7-18(13-20)19-8-6-10-22(14-19)39-4/h5-10,13-15,24,36H,11-12,16-17H2,1-4H3,(H,33,37)/t24-,40-/m1/s1" ; chebi:inchikey "ZACPEVQRHPQJRQ-MMVPYHRJSA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12296" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-GKYRZQBGSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12297" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_100925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19+,20+/m1/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-XPGWFJOJSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12298" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_100926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23+,24-/m0/s1" ; chebi:inchikey "UWGYAIIPASVTSB-KEZOAJOQSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12299" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_100927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-YXOQKGKWSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12300" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_100928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22+,27-/m1/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-UMTXDNHDSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12301" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12301" . obo:CHEBI_100929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25-,27-/m0/s1" ; chebi:inchikey "HYQMBLXITOJPAN-HFFYFMGZSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12302" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_10093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48565 . _:b571 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b571 . _:b571 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131787 . _:b572 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b572 . _:b572 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_37890 . _:b573 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b573 . _:b573 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48279 . _:b574 rdf:type owl:Restriction . obo:CHEBI_10093 rdfs:subClassOf _:b574 . _:b574 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_35633 . obo:CHEBI_10093 obo:IAO_0000115 "An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina." ; chebi:charge "0" ; chebi:formula "C21H26N2O3" ; chebi:inchi "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1" ; chebi:inchikey "BLGXFZZNTVWLAY-SCYLSFHTSA-N" ; chebi:mass "354.44282" ; chebi:monoisotopicmass "354.19434" ; chebi:smiles "[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCc3c1[nH]c1ccccc31)C2" ; oboInOwl:hasDbXref "Beilstein:4720812" ; oboInOwl:hasDbXref "Beilstein:97276" ; oboInOwl:hasDbXref "CAS:146-48-5" ; oboInOwl:hasDbXref "DrugBank:DB01392" ; oboInOwl:hasDbXref "Drug_Central:3659" ; oboInOwl:hasDbXref "KEGG:C09256" ; oboInOwl:hasDbXref "KEGG:D08685" ; oboInOwl:hasDbXref "KNApSAcK:C00001789" ; oboInOwl:hasDbXref "LINCS:LSM-2779" ; oboInOwl:hasDbXref "VSDB:3010" ; oboInOwl:hasExactSynonym "Yohimbine" ; oboInOwl:hasExactSynonym "methyl 17alpha-hydroxyyohimban-16alpha-carboxylate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-yohimbine" ; oboInOwl:hasRelatedSynonym "(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester" ; oboInOwl:hasRelatedSynonym "17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester" ; oboInOwl:hasRelatedSynonym "Johimbin" ; oboInOwl:hasRelatedSynonym "Quebrachin" ; oboInOwl:hasRelatedSynonym "Yohimbin" ; oboInOwl:hasRelatedSynonym "aphrodine" ; oboInOwl:hasRelatedSynonym "corynine" ; oboInOwl:hasRelatedSynonym "quebrachine" ; oboInOwl:hasRelatedSynonym "yohimbic acid methyl ester" ; oboInOwl:id "CHEBI:10093" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "yohimbine" . _:b575 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:4720812" ; rdfs:label "Beilstein" . _:b576 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:97276" ; rdfs:label "Beilstein" . _:b577 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146-48-5" ; rdfs:label "ChemIDplus" . _:b578 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146-48-5" ; rdfs:label "KEGG COMPOUND" . _:b579 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146-48-5" ; rdfs:label "NIST Chemistry WebBook" . _:b580 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:3659" ; rdfs:label "DrugCentral" . _:b581 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Yohimbine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b582 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "methyl 17alpha-hydroxyyohimban-16alpha-carboxylate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b583 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-yohimbine" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b584 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b585 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b586 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Johimbin" ; oboInOwl:hasDbXref "ChEBI" . _:b587 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Quebrachin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b588 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Yohimbin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b589 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aphrodine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b590 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "corynine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b591 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "quebrachine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b592 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10093 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "yohimbic acid methyl ester" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_100930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-PQRDQUNWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12303" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12303" . obo:CHEBI_100931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18-,19-/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-WDSOQIARSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12304" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_100932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31-/m1/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-GTEDWBNGSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12305" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12305" . obo:CHEBI_100933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "XXZJPGUPXRETOH-PHVLTXCSSA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12306" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_100934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18+/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-RYRKJORJSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasDbXref "LINCS:LSM-12307" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_100935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-VPYPWEPUSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12308" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12308" . obo:CHEBI_100936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H25N3O3" ; chebi:inchi "InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20+/m1/s1" ; chebi:inchikey "KJLVFPZXKUGLPF-HBFSDRIKSA-N" ; chebi:mass "355.432" ; chebi:monoisotopicmass "355.18959" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)CN3CCOCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12309" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12309" . obo:CHEBI_100937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19+,21-/m0/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-DLVCFXQMSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12310" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_100938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21+,23+/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-QZNHQXDQSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12311" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m1/s1" ; chebi:inchikey "OLAATLBQFXJPIK-ACXULAKISA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12312" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C20H32N8O5" ; chebi:inchi "InChI=1S/C20H32N8O5/c21-18(22)25-10-4-8-14(28-20(32)33-12-13-6-2-1-3-7-13)16(29)27-15(17(30)31)9-5-11-26-19(23)24/h1-3,6-7,14-15H,4-5,8-12H2,(H,27,29)(H,28,32)(H,30,31)(H4,21,22,25)(H4,23,24,26)/t14-,15-/m0/s1" ; chebi:inchikey "BIRZKUUPHCQOPK-GJZGRUSLSA-N" ; chebi:mass "464.519" ; chebi:monoisotopicmass "464.24957" ; chebi:smiles "NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(O)=O" ; oboInOwl:hasDbXref "KEGG:C01631" ; oboInOwl:hasExactSynonym "Z-Arg-Arg" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Arg-Arg" . _:b593 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10094 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Z-Arg-Arg" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19-,20-/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-VAMGGRTRSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12313" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_100941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XCLNPWKQSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12314" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_100942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-ZQRMPTRQSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12315" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_100943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27-,28+/m0/s1" ; chebi:inchikey "IXXIZSABFJAVRH-UNYYBDMVSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12316" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_100944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m1/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-IEOSBIPESA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12317" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12317" . obo:CHEBI_100945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30+/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-DDFCPOBKSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12318" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12318" . obo:CHEBI_100946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22+/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-MCFFVMPBSA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12319" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_100947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-IFPZXYOKSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12320" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-14(15-6-3-2-4-7-15)27-22(32)20-16(13-30)18-12-29-17(8-5-9-19(29)31)21(20)28(18)11-10-23(24,25)26/h2-9,14,16,18,20-21,30H,10-13H2,1H3,(H,27,32)/t14-,16-,18-,20+,21+/m0/s1" ; chebi:inchikey "LOVSINJIWNBKBE-NNPDCFOJSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12321" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12321" . obo:CHEBI_100949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27-,29+/m1/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-IMBSVQIASA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12322" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C30H39N9O6" ; chebi:inchi "InChI=1S/C30H39N9O6/c1-18-15-25(40)45-24-16-20(11-12-21(18)24)37-26(41)22(9-5-13-35-28(31)32)38-27(42)23(10-6-14-36-29(33)34)39-30(43)44-17-19-7-3-2-4-8-19/h2-4,7-8,11-12,15-16,22-23H,5-6,9-10,13-14,17H2,1H3,(H,37,41)(H,38,42)(H,39,43)(H4,31,32,35)(H4,33,34,36)/t22-,23-/m0/s1" ; chebi:inchikey "DLELKZFCVLJXKZ-GOTSBHOMSA-N" ; chebi:mass "621.689" ; chebi:monoisotopicmass "621.30233" ; chebi:smiles "Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc3ccccc3)ccc12" ; oboInOwl:hasDbXref "CAS:88937-61-5" ; oboInOwl:hasDbXref "KEGG:C02334" ; oboInOwl:hasExactSynonym "Z-Arg-Arg-NHMec" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide" ; oboInOwl:id "CHEBI:10095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Arg-Arg-NHMec" . _:b594 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10095 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88937-61-5" ; rdfs:label "KEGG COMPOUND" . _:b595 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10095 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Z-Arg-Arg-NHMec" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b596 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10095 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18-,20+/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-GGPKGHCWSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12323" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_100951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19-,20+/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-SLFFLAALSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12324" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_100952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O6S" ; chebi:inchi "InChI=1S/C28H40N4O6S/c1-18(2)29-28(34)32-15-20(4)26(37-7)16-31(6)27(33)24-14-22(10-13-25(24)38-17-21(32)5)30-39(35,36)23-11-8-19(3)9-12-23/h8-14,18,20-21,26,30H,15-17H2,1-7H3,(H,29,34)/t20-,21+,26-/m0/s1" ; chebi:inchikey "AEHXNEHGWHBDEN-UZINWLIJSA-N" ; chebi:mass "560.708" ; chebi:monoisotopicmass "560.26686" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12325" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_100953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-STSQHVNTSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12326" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_100954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20-,21-/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-JBACZVJFSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12327" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_100955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "KXSIODNMTPRENB-PFSLXQJOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12328" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_100956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24+,25-,26+/m0/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-ROXDYWFKSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12329" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_100957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-YZZKKUAISA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12330" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H25N3OS" ; chebi:inchi "InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "DBVJKEGLTFFIFT-QHAWAJNXSA-N" ; chebi:mass "379.520" ; chebi:monoisotopicmass "379.17183" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12331" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-IXFSTUDKSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12332" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12332" . obo:CHEBI_10096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C15H18N2O5" ; chebi:inchi "InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1" ; chebi:inchikey "ZTUKZKYDJMGJDC-LBPRGKRZSA-N" ; chebi:mass "306.314" ; chebi:monoisotopicmass "306.12157" ; chebi:smiles "OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1" ; oboInOwl:hasDbXref "CAS:1160-54-9" ; oboInOwl:hasDbXref "KEGG:C01632" ; oboInOwl:hasExactSynonym "Z-Gly-Pro" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Z-Gly-Pro-OH" ; oboInOwl:id "CHEBI:10096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Gly-Pro" . _:b597 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10096 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1160-54-9" ; rdfs:label "KEGG COMPOUND" . _:b598 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10096 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Z-Gly-Pro" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b599 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Z-Gly-Pro-OH" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24-,28-/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-ZQSLEGLSSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12333" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_100961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24-/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-SKPFHBQLSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12334" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_100962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22-,24+/m0/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-CGCKEFBRSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12335" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_100963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21+,23+,27+,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-FQTZSRFZSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12336" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-FYQCMVGJSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12337" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_100965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-10-14-29(43-4)15-11-24)38-33(32(28)31(39)16-17-40)27-7-5-6-26(18-27)25-12-8-23(20-36)9-13-25/h5-15,18-19,31,40H,16-17,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "JYXARMWTMOZTGK-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12338" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_100966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C33H32F3N3O5" ; chebi:inchi "InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29+/m1/s1" ; chebi:inchikey "CCWJWXJNOLFYBD-NLFWHDTNSA-N" ; chebi:mass "607.621" ; chebi:monoisotopicmass "607.22941" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-12339" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide" . obo:CHEBI_100967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24-/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-HOZJOUCCSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12340" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_100968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26+/m1/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-KYTVRQNUSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12341" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12341" . obo:CHEBI_100969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16-/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-OWCLPIDISA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12342" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_10097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16670 ; chebi:charge "0" ; chebi:formula "C28H39N5O8" ; chebi:inchi "InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1" ; chebi:inchikey "DGRDYZZPQWDRBB-FKBYEOEOSA-N" ; chebi:mass "573.639" ; chebi:monoisotopicmass "573.27986" ; chebi:smiles "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O" ; oboInOwl:hasDbXref "CAS:2646-61-9" ; oboInOwl:hasDbXref "KEGG:C03183" ; oboInOwl:hasExactSynonym "Z-Gly-Pro-Leu-Gly-Pro" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Gly-Pro-Leu-Gly-Pro" . _:b600 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2646-61-9" ; rdfs:label "KEGG COMPOUND" . _:b601 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10097 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Z-Gly-Pro-Leu-Gly-Pro" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27-/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-BERHBOFZSA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12343" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12343" . obo:CHEBI_100971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N2O5" ; chebi:inchi "InChI=1S/C27H28N2O5/c1-33-23-11-7-6-10-18(23)19-12-13-21-25-24(27(32)34-2)20(16-30)22(15-29(21)26(19)31)28(25)14-17-8-4-3-5-9-17/h3-13,20,22,24-25,30H,14-16H2,1-2H3/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "VLQJEDUGSYPRCL-KAKDDGLXSA-N" ; chebi:mass "460.523" ; chebi:monoisotopicmass "460.19982" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5)CN3C2=O)CO)C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12344" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12344" . obo:CHEBI_100972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16-,17+/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-VVLHAWIVSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12345" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_100973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-YCYVKTGYSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12346" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_100974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20-,27+/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-DVHCVUMVSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12347" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12347" . obo:CHEBI_100975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23+/m1/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-PNCHPQGNSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12348" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_100976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-AXHZCLLHSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12349" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-HCXYKTFWSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12350" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-DRSNIGMVSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12351" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_100979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)15-6-3-5-14(11-15)17-9-10-20-22-21(23(31)26-16-7-4-8-16)18(13-30)19(27-22)12-29(20)25(17)33/h3,5-6,9-11,16,18-19,21-22,27,30H,4,7-8,12-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22+/m1/s1" ; chebi:inchikey "NFKFSUDWHJDXEV-WKDRNLAYSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12352" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12352" . obo:CHEBI_10098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C25H27N4O" ; chebi:inchi "InChI=1S/C25H27N4O/c26-28-19-23(16-20-10-4-1-5-11-20)29-25(30)24(17-21-12-6-2-7-13-21)27-18-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19H2,(H,29,30)/t23-,24+/m1/s1" ; chebi:inchikey "CZJUSSHSHCOVLO-RPWUZVMVSA-N" ; chebi:mass "399.509" ; chebi:monoisotopicmass "399.21849" ; chebi:smiles "O=C(N[C@@H](C[N+]#[N-])Cc1ccccc1)[C@H](Cc1ccccc1)NCc1ccccc1" ; oboInOwl:hasDbXref "KEGG:C02202" ; oboInOwl:hasExactSynonym "Z-Phe-Phe-CHN2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Z-Phe-Phe-CHN2" . _:b602 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10098 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Z-Phe-Phe-CHN2" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22-,23-/m1/s1" ; chebi:inchikey "POAXSVANNSAIAV-DNVJHFABSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12353" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-SBZVUBOMSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12354" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12354" . obo:CHEBI_100982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C9H15NO4" ; chebi:inchi "InChI=1S/C9H15NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h2-3,6-8,11H,4-5,10H2,1H3/t6-,7+,8-/m0/s1" ; chebi:inchikey "PDEPTYJJYHVXNY-RNJXMRFFSA-N" ; chebi:mass "201.220" ; chebi:monoisotopicmass "201.10011" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-12355" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-3-amino-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_100983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-YZBYQZESSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12356" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_100984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17-,22+/m1/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-YVHKJVDXSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12357" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_100985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18+,19+,20-/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-FUMNGEBKSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@@H]1CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12358" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_100986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23+,26+/m1/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-BCHMZHATSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12359" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_100987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12-,13+,14-/m1/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-YIYPIFLZSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-12360" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_100988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-18-15-30(20(3)31)19(2)17-35-24-12-11-22(28-26(32)13-21-9-7-6-8-10-21)14-23(24)27(33)29(4)16-25(18)34-5/h6-12,14,18-19,25H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+,25-/m1/s1" ; chebi:inchikey "BBRWISDMGXAAHU-HHJKRLRDSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12361" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19-,25+/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-RRQZXNHTSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12362" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_10099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46761 . _:b603 rdf:type owl:Restriction . obo:CHEBI_10099 rdfs:subClassOf _:b603 . _:b603 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59107 . obo:CHEBI_10099 obo:IAO_0000115 "The dipeptide obtained by coupling N-benzyloxycarbonyl-L-tyrosine with the hydroxamic acid derivative of L-leucine. It is an inhibitor of the metallo-protease enzyme, pseudolysin (EC 3.4.24.36)." ; chebi:charge "0" ; chebi:formula "C23H29N3O6" ; chebi:inchi "InChI=1S/C23H29N3O6/c1-15(2)12-19(22(29)26-31)24-21(28)20(13-16-8-10-18(27)11-9-16)25-23(30)32-14-17-6-4-3-5-7-17/h3-11,15,19-20,27,31H,12-14H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)/t19-,20-/m0/s1" ; chebi:inchikey "YBHTVSIBHATTHP-PMACEKPBSA-N" ; chebi:mass "443.49290" ; chebi:monoisotopicmass "443.20564" ; chebi:smiles "CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)NO" ; oboInOwl:hasDbXref "KEGG:C02203" ; oboInOwl:hasExactSynonym "N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Benzyloxycarbonyl-Tyr-Leu-NHOH" ; oboInOwl:hasRelatedSynonym "Cbz-Tyr-Leu-NHOH" ; oboInOwl:hasRelatedSynonym "N-[(benzyloxy)carbonyl]-L-tyrosyl-L-leucine hydroxamic acid" ; oboInOwl:hasRelatedSynonym "Z-L-Tyr-L-Leu-NHOH" ; oboInOwl:hasRelatedSynonym "Z-Tyr-Leu-NHOH" ; oboInOwl:id "CHEBI:10099" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide" . _:b604 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b605 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Benzyloxycarbonyl-Tyr-Leu-NHOH" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b606 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Cbz-Tyr-Leu-NHOH" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b607 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-[(benzyloxy)carbonyl]-L-tyrosyl-L-leucine hydroxamic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b608 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Z-L-Tyr-L-Leu-NHOH" ; oboInOwl:hasDbXref "ChEBI" . _:b609 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10099 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Z-Tyr-Leu-NHOH" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_100990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18-,23+/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IUKKYPGJSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12363" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_100991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-SELNLUPBSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12364" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_100992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27-/m1/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-DRGJWEBESA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12365" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_100993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10-,11-/m0/s1" ; chebi:inchikey "RKCCKXKETMZMSY-DCAQKATOSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-12366" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_100994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3" ; chebi:inchi "InChI=1S/C23H22N2O3/c1-28-13-5-8-17-9-11-19(12-10-17)23-20(15-24)25(21(23)16-26)22(27)14-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21,23,26H,13-14,16H2,1H3/t20-,21-,23+/m0/s1" ; chebi:inchikey "ZCPNEUJBLOUKDH-QNWVGRARSA-N" ; chebi:mass "374.433" ; chebi:monoisotopicmass "374.16304" ; chebi:smiles "COCC#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)CC3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12367" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(1-oxo-2-phenylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_100995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29+/m0/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-IHMCZWCLSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12368" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12368" . obo:CHEBI_100996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20-,22-/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-XFSCSUFISA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12369" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_100997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27+/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-JBBQQGGESA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12370" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_100998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19-/m0/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-SCTDSRPQSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12371" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_100999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21-,23-,27+,29+/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-OQSCFJKJSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12372" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:100999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15409 ; owl:deprecated true . obo:CHEBI_1010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33558 . _:b610 rdf:type owl:Restriction . obo:CHEBI_1010 rdfs:subClassOf _:b610 . _:b610 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17120 . _:b611 rdf:type owl:Restriction . obo:CHEBI_1010 rdfs:subClassOf _:b611 . _:b611 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_19450 . obo:CHEBI_1010 obo:IAO_0000115 "An alpha-amino-acid anion that is the conjugate base of 2-amino-5-oxohexanoic acid." ; chebi:charge "-1" ; chebi:formula "C6H10NO3" ; chebi:inchi "InChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/p-1" ; chebi:inchikey "KSIJECNNZVKMJG-UHFFFAOYSA-M" ; chebi:mass "144.14854" ; chebi:monoisotopicmass "144.06662" ; chebi:smiles "CC(=O)CCC(N)C([O-])=O" ; oboInOwl:hasDbXref "KEGG:C05825" ; oboInOwl:hasExactSynonym "2-Amino-5-oxohexanoate" ; oboInOwl:hasExactSynonym "2-amino-5-oxohexanoate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1010" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-amino-5-oxohexanoate" . _:b612 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1010 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-Amino-5-oxohexanoate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b613 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1010 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-amino-5-oxohexanoate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_10100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23003 ; rdfs:subClassOf obo:CHEBI_24828 ; rdfs:subClassOf obo:CHEBI_90852 . _:b614 rdf:type owl:Restriction . obo:CHEBI_10100 rdfs:subClassOf _:b614 . _:b614 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49159 . _:b615 rdf:type owl:Restriction . obo:CHEBI_10100 rdfs:subClassOf _:b615 . _:b615 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_65023 . obo:CHEBI_10100 chebi:charge "0" ; chebi:formula "C31H33N3O6S" ; chebi:inchi "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)" ; chebi:inchikey "YEEZWCHGZNKEEK-UHFFFAOYSA-N" ; chebi:mass "575.677" ; chebi:monoisotopicmass "575.20901" ; chebi:smiles "C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C" ; oboInOwl:hasDbXref "Beilstein:3641829" ; oboInOwl:hasDbXref "CAS:107753-78-6" ; oboInOwl:hasDbXref "DrugBank:DB00549" ; oboInOwl:hasDbXref "Drug_Central:2855" ; oboInOwl:hasDbXref "HMDB:HMDB0014689" ; oboInOwl:hasDbXref "KEGG:C07206" ; oboInOwl:hasDbXref "KEGG:D00411" ; oboInOwl:hasDbXref "LINCS:LSM-5792" ; oboInOwl:hasDbXref "PMID:11888331" ; oboInOwl:hasDbXref "PMID:19331987" ; oboInOwl:hasDbXref "PMID:22159431" ; oboInOwl:hasDbXref "PMID:22614107" ; oboInOwl:hasDbXref "PMID:24258705" ; oboInOwl:hasDbXref "PMID:25798389" ; oboInOwl:hasDbXref "PMID:25834030" ; oboInOwl:hasDbXref "Reaxys:3641829" ; oboInOwl:hasDbXref "Wikipedia:Zafirlukast" ; oboInOwl:hasExactSynonym "cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide" ; oboInOwl:hasRelatedSynonym "Accolate" ; oboInOwl:hasRelatedSynonym "cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate" ; oboInOwl:hasRelatedSynonym "zafirlukast" ; oboInOwl:id "CHEBI:10100" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zafirlukast" . _:b616 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:3641829" ; rdfs:label "Beilstein" . _:b617 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:107753-78-6" ; rdfs:label "ChemIDplus" . _:b618 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:107753-78-6" ; rdfs:label "KEGG COMPOUND" . _:b619 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2855" ; rdfs:label "DrugCentral" . _:b620 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11888331" ; rdfs:label "Europe PMC" . _:b621 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19331987" ; rdfs:label "Europe PMC" . _:b622 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22159431" ; rdfs:label "Europe PMC" . _:b623 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22614107" ; rdfs:label "Europe PMC" . _:b624 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24258705" ; rdfs:label "Europe PMC" . _:b625 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25798389" ; rdfs:label "Europe PMC" . _:b626 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25834030" ; rdfs:label "Europe PMC" . _:b627 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:3641829" ; rdfs:label "Reaxys" . _:b628 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b629 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide" ; oboInOwl:hasDbXref "ChEBI" . _:b630 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Accolate" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b631 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b632 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10100 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zafirlukast" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m0/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-IPMKNSEASA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12373" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19-,20-/m0/s1" ; chebi:inchikey "DINYZOMRIFESDL-UFYCRDLUSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12374" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2R,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29FN2O7S" ; chebi:inchi "InChI=1S/C20H29FN2O7S/c1-28-9-8-22-20(25)10-15-6-7-17-18(30-15)13-29-12-14(24)11-23(17)31(26,27)19-5-3-2-4-16(19)21/h2-5,14-15,17-18,24H,6-13H2,1H3,(H,22,25)/t14-,15-,17-,18+/m0/s1" ; chebi:inchikey "ZIIKQONHXRNGRF-UOVPBQLFSA-N" ; chebi:mass "460.519" ; chebi:monoisotopicmass "460.16795" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12375" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "MTMISLSQWFYTRE-BQJUDKOJSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12376" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16+,21-/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-VWKPWSFCSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12377" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16+,18-/m1/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-SOLBZPMBSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12378" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27-,29-/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-SYBYNBCQSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12379" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-JKSBSHDWSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12380" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19+/m0/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-JENIJYKNSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12381" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_101009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-34-27-11-10-24(17-30(36)35-14-13-20-5-2-3-6-21(20)18-35)41-29(27)19-40-28-12-9-23(16-26(28)31(34)37)33-42(38,39)25-8-4-7-22(32)15-25/h2-9,12,15-16,24,27,29,33H,10-11,13-14,17-19H2,1H3/t24-,27+,29-/m0/s1" ; chebi:inchikey "ZIFILFAABSOBLR-HWUUJZMBSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-12382" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide" . obo:CHEBI_10101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48441 . _:b633 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b633 . _:b633 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35221 . _:b634 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b634 . _:b634 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36044 . _:b635 rdf:type owl:Restriction . obo:CHEBI_10101 rdfs:subClassOf _:b635 . _:b635 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53756 . obo:CHEBI_10101 obo:IAO_0000115 "A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C9H13N3O3" ; chebi:inchi "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1" ; chebi:inchikey "WREGKURFCTUGRC-POYBYMJQSA-N" ; chebi:mass "211.21780" ; chebi:monoisotopicmass "211.09569" ; chebi:smiles "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1" ; oboInOwl:hasDbXref "Beilstein:654956" ; oboInOwl:hasDbXref "CAS:7481-89-2" ; oboInOwl:hasDbXref "DrugBank:DB00943" ; oboInOwl:hasDbXref "Drug_Central:2856" ; oboInOwl:hasDbXref "HMDB:HMDB0015078" ; oboInOwl:hasDbXref "KEGG:C07207" ; oboInOwl:hasDbXref "KEGG:D00412" ; oboInOwl:hasDbXref "LINCS:LSM-5915" ; oboInOwl:hasDbXref "PMID:11905988" ; oboInOwl:hasDbXref "PMID:7727578" ; oboInOwl:hasDbXref "Reaxys:654956" ; oboInOwl:hasDbXref "Wikipedia:Zalcitabine" ; oboInOwl:hasExactSynonym "2',3'-dideoxycytidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2',3'-Dideoxycytidine" ; oboInOwl:hasRelatedSynonym "4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one" ; oboInOwl:hasRelatedSynonym "DDC" ; oboInOwl:hasRelatedSynonym "DDCYD" ; oboInOwl:hasRelatedSynonym "Dideoxycytidine" ; oboInOwl:hasRelatedSynonym "zalcitabine" ; oboInOwl:id "CHEBI:10101" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zalcitabine" . _:b636 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:654956" ; rdfs:label "Beilstein" . _:b637 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:7481-89-2" ; rdfs:label "ChemIDplus" . _:b638 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:7481-89-2" ; rdfs:label "DrugBank" . _:b639 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:7481-89-2" ; rdfs:label "KEGG COMPOUND" . _:b640 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:7481-89-2" ; rdfs:label "KEGG DRUG" . _:b641 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2856" ; rdfs:label "DrugCentral" . _:b642 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11905988" ; rdfs:label "Europe PMC" . _:b643 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:7727578" ; rdfs:label "Europe PMC" . _:b644 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:654956" ; rdfs:label "Reaxys" . _:b645 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2',3'-dideoxycytidine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b646 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2',3'-Dideoxycytidine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b647 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one" ; oboInOwl:hasDbXref "IUPAC" . _:b648 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "DDC" ; oboInOwl:hasDbXref "DrugBank" . _:b649 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "DDCYD" ; oboInOwl:hasDbXref "DrugBank" . _:b650 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Dideoxycytidine" ; oboInOwl:hasDbXref "DrugBank" . _:b651 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10101 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zalcitabine" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20+,22-/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-DCZASFAJSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12383" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22+,30-/m1/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-VDZJOXJSSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12384" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12384" . obo:CHEBI_101012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22+,24-/m0/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-ZDXQCDESSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12385" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24+,25+/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-ISJGIBHGSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12386" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18-,24+/m0/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-LLJLJFOGSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12387" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H39N3O4S" ; chebi:inchi "InChI=1S/C32H39N3O4S/c1-32(2,3)40(38)35-21-24-20-26(31(37)34-16-8-5-9-17-34)33-30(29(24)27(35)15-18-36)23-12-10-11-22(19-23)25-13-6-7-14-28(25)39-4/h6-7,10-14,19-20,27,36H,5,8-9,15-18,21H2,1-4H3/t27-,40-/m1/s1" ; chebi:inchikey "FUQOGNZPPRJWQM-KSTXALNGSA-N" ; chebi:mass "561.737" ; chebi:monoisotopicmass "561.26613" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12388" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_101016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23+/m1/s1" ; chebi:inchikey "IMMALVOVYMCCKV-MSYCTHLASA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12389" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_101017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14-,16+/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-OFQRWUPVSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12390" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_101018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22-,23+,24-/m0/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-XGAJZPNHSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12391" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_101019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-IMWIBFENSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12392" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12392" . obo:CHEBI_10102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_38669 . _:b652 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b652 . _:b652 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35474 . _:b653 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b653 . _:b653 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35488 . _:b654 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b654 . _:b654 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b655 rdf:type owl:Restriction . obo:CHEBI_10102 rdfs:subClassOf _:b655 . _:b655 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . obo:CHEBI_10102 obo:IAO_0000115 "A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position." ; chebi:charge "0" ; chebi:formula "C17H15N5O" ; chebi:inchi "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3" ; chebi:inchikey "HUNXMJYCHXQEGX-UHFFFAOYSA-N" ; chebi:mass "305.33390" ; chebi:monoisotopicmass "305.12766" ; chebi:smiles "CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N" ; oboInOwl:hasDbXref "Beilstein:8153844" ; oboInOwl:hasDbXref "CAS:151319-34-5" ; oboInOwl:hasDbXref "DrugBank:DB00962" ; oboInOwl:hasDbXref "Drug_Central:2857" ; oboInOwl:hasDbXref "KEGG:C07484" ; oboInOwl:hasDbXref "KEGG:D00530" ; oboInOwl:hasDbXref "LINCS:LSM-5971" ; oboInOwl:hasDbXref "Patent:US4626538" ; oboInOwl:hasDbXref "Wikipedia:Zaleplon" ; oboInOwl:hasExactSynonym "N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3'-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)-N-ethylacetanilide" ; oboInOwl:hasRelatedSynonym "zaleplon" ; oboInOwl:id "CHEBI:10102" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zaleplon" . _:b656 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:8153844" ; rdfs:label "Beilstein" . _:b657 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151319-34-5" ; rdfs:label "ChemIDplus" . _:b658 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151319-34-5" ; rdfs:label "DrugBank" . _:b659 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151319-34-5" ; rdfs:label "KEGG COMPOUND" . _:b660 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151319-34-5" ; rdfs:label "KEGG DRUG" . _:b661 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151319-34-5" ; rdfs:label "NIST Chemistry WebBook" . _:b662 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2857" ; rdfs:label "DrugCentral" . _:b663 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b664 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3'-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)-N-ethylacetanilide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b665 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10102 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zaleplon" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H37N5O3S" ; chebi:inchi "InChI=1S/C32H37N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)36-15-13-35(4)14-16-36)34-30(29(26)28(37)12-17-38)25-7-5-6-24(18-25)23-10-8-22(20-33)9-11-23/h5-11,18-19,28,38H,12-17,21H2,1-4H3/t28-,41-/m0/s1" ; chebi:inchikey "QBIQCDDCSMFVTJ-VELXTTODSA-N" ; chebi:mass "571.735" ; chebi:monoisotopicmass "571.26171" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12393" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23+,24-/m0/s1" ; chebi:inchikey "QCHQNBIYSRQADD-XQUALCHDSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12394" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m1/s1" ; chebi:inchikey "YUSKIZLEIJYDDG-ULDOEVFSSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "CCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12395" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21+/m0/s1" ; chebi:inchikey "IMTXHMNNEPVREU-CKJXQJPGSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12396" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24+,30-/m1/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FSGGQHMVSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12397" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "KXSIODNMTPRENB-BIJSTVTOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12398" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-HCXYKTFWSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12399" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c29-21-10-3-2-9-18(21)19-11-12-22-25-24(28(36)30-13-4-1-5-14-30)20(16-33)23(15-31(22)27(19)35)32(25)26(34)17-7-6-8-17/h2-3,9-12,17,20,23-25,33H,1,4-8,13-16H2/t20-,23-,24+,25+/m1/s1" ; chebi:inchikey "FMCRALLOZMCEMF-GATIMQMVSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)C6CCC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12400" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12400" . obo:CHEBI_101028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19+,20-/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-ZSXHRAQDSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-12401" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12401" . obo:CHEBI_101029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22-,24+/m0/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-UYLMIGBBSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12402" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_10103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26979 ; rdfs:subClassOf obo:CHEBI_35681 ; rdfs:subClassOf obo:CHEBI_36744 ; rdfs:subClassOf obo:CHEBI_37581 ; rdfs:subClassOf obo:CHEBI_37667 . _:b666 rdf:type owl:Restriction . obo:CHEBI_10103 rdfs:subClassOf _:b666 . _:b666 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b667 rdf:type owl:Restriction . obo:CHEBI_10103 rdfs:subClassOf _:b667 . _:b667 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_61908 . obo:CHEBI_10103 obo:IAO_0000115 "A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8." ; chebi:charge "0" ; chebi:formula "C15H18O3" ; chebi:inchi "InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1" ; chebi:inchikey "XFVLNEYIZGZDHP-PEDHHIEDSA-N" ; chebi:mass "246.30160" ; chebi:monoisotopicmass "246.12559" ; chebi:smiles "[H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C" ; oboInOwl:hasDbXref "CAS:16838-87-2" ; oboInOwl:hasDbXref "KEGG:C09606" ; oboInOwl:hasDbXref "KNApSAcK:C00003397" ; oboInOwl:hasDbXref "PMID:10834299" ; oboInOwl:hasDbXref "PMID:20353005" ; oboInOwl:hasDbXref "PMID:6383382" ; oboInOwl:hasDbXref "Reaxys:4696078" ; oboInOwl:hasExactSynonym "(3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one" ; oboInOwl:hasExactSynonym "Zaluzanin C" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide" ; oboInOwl:id "CHEBI:10103" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zaluzanin C" . _:b668 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:16838-87-2" ; rdfs:label "ChemIDplus" . _:b669 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:16838-87-2" ; rdfs:label "KEGG COMPOUND" . _:b670 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10834299" ; rdfs:label "Europe PMC" . _:b671 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20353005" ; rdfs:label "Europe PMC" . _:b672 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6383382" ; rdfs:label "Europe PMC" . _:b673 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:4696078" ; rdfs:label "Reaxys" . _:b674 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b675 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zaluzanin C" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b676 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10103 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27+/m0/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-SCTDOJESSA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12403" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-15-12-24-16(2)14-31-20-11-18(25-22(27)17-7-9-30-10-8-17)5-6-19(20)23(28)26(3)13-21(15)29-4/h5-6,11,15-17,21,24H,7-10,12-14H2,1-4H3,(H,25,27)/t15-,16+,21-/m1/s1" ; chebi:inchikey "BIFUFKYMXIZDEA-VWKPWSFCSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12404" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C20H22FN3O3" ; chebi:inchi "InChI=1S/C20H22FN3O3/c1-23(2)20(27)18-15(10-25)14-9-24-16(17(14)22-18)8-7-13(19(24)26)11-3-5-12(21)6-4-11/h3-8,14-15,17-18,22,25H,9-10H2,1-2H3/t14-,15-,17+,18-/m0/s1" ; chebi:inchikey "HRNJAQRGDGXKJI-ONIAQPFYSA-N" ; chebi:mass "371.406" ; chebi:monoisotopicmass "371.16452" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]2N1)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12405" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-14-29(20(2)16-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-26(19)15-28(3)36(32,33)22-12-13-35-18-22/h4-13,18-20,26,30H,14-17H2,1-3H3/t19-,20+,26-/m0/s1" ; chebi:inchikey "ROXJHZXKWGUYER-UNVFRBQDSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12406" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12406" . obo:CHEBI_101034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21-,22-,23+/m0/s1" ; chebi:inchikey "AMMWEOQELITDAS-CWBXHPNXSA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3)O)O[C@@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12407" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O5S" ; chebi:inchi "InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24+,30-/m1/s1" ; chebi:inchikey "LJWHPXFZVGGEPZ-FSGGQHMVSA-N" ; chebi:mass "589.747" ; chebi:monoisotopicmass "589.26104" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12408" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12408" . obo:CHEBI_101036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27+/m1/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-LADVCJOISA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12409" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24+/m0/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-WOGXIUBCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12410" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_101038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m1/s1" ; chebi:inchikey "QPCRGZWITIZHEP-SAHWJRBASA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12411" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-YZZKKUAISA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12412" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_10104 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_50663 ; owl:deprecated true . obo:CHEBI_101040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12-/m1/s1" ; chebi:inchikey "PLQUATFCVTZMJC-GRYCIOLGSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-12413" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_101041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-RCUFNAHASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12414" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12414" . obo:CHEBI_101042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22+/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-RCZSKKKRSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12415" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_101043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21-/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-HMXCVIKNSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12416" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H40N4O5" ; chebi:inchi "InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-15-8-9-16-29(28)37(32)4)27-14-7-6-11-24(27)21-43-30(22)19-36(3)34(41)35-25-12-10-13-26(17-25)42-5/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23+,30+/m1/s1" ; chebi:inchikey "FNKQMQRSMOAQIH-HFZPWKHCSA-N" ; chebi:mass "584.706" ; chebi:monoisotopicmass "584.29987" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12417" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12417" . obo:CHEBI_101045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23+,24-/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-ZSXJVMONSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12418" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26-/m1/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-DMTNHVFBSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12419" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-GUBFDYSESA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12420" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13-,14-,15+/m1/s1" ; chebi:inchikey "JDRFUATZRDBDCA-TUVASFSCSA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12421" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S" ; chebi:inchi "InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21-/m1/s1" ; chebi:inchikey "SBBAPVWHPDIFCH-DBXWQHBBSA-N" ; chebi:mass "464.580" ; chebi:monoisotopicmass "464.20934" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12422" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_10105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39434 ; chebi:charge "0" ; chebi:formula "C26H30O8" ; chebi:inchi "InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3/t14-,15-,18+,19-,20+,23-,24-,25+,26+/m0/s1" ; chebi:inchikey "OZGKITZRRFNYRV-CHALWBKJSA-N" ; chebi:mass "470.513" ; chebi:monoisotopicmass "470.19407" ; chebi:smiles "C[C@@]12C[C@H](O)[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1" ; oboInOwl:hasDbXref "CAS:23885-43-0" ; oboInOwl:hasDbXref "KEGG:C08788" ; oboInOwl:hasDbXref "KNApSAcK:C00003736" ; oboInOwl:hasExactSynonym "Zapoterin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zapoterin" . _:b677 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10105 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:23885-43-0" ; rdfs:label "KEGG COMPOUND" . _:b678 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10105 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zapoterin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H25N3O3" ; chebi:inchi "InChI=1S/C22H25N3O3/c1-24(2)13-21(27)25-18(12-23)22(19(25)14-26)16-10-8-15(9-11-16)17-6-4-5-7-20(17)28-3/h4-11,18-19,22,26H,13-14H2,1-3H3/t18-,19-,22+/m1/s1" ; chebi:inchikey "IQHJIJSRQPJLPZ-KNKQGSTJSA-N" ; chebi:mass "379.453" ; chebi:monoisotopicmass "379.18959" ; chebi:smiles "CN(C)CC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12423" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C28H34N2O5" ; chebi:inchi "InChI=1S/C28H34N2O5/c31-23-16-30(28(33)12-19-6-2-1-3-7-19)25-11-10-24(35-26(25)18-34-17-23)15-27(32)29-22-13-20-8-4-5-9-21(20)14-22/h1-9,22-26,31H,10-18H2,(H,29,32)/t23-,24+,25+,26-/m0/s1" ; chebi:inchikey "JKLIXGQQXOXZKK-QUMGSSFMSA-N" ; chebi:mass "478.581" ; chebi:monoisotopicmass "478.24677" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)CC3=CC=CC=C3)O)O[C@H]1CC(=O)NC4CC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12424" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxo-2-phenylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26+,28-/m1/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-PNCJJDQKSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12425" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18-,22+,24+/m0/s1" ; chebi:inchikey "RREKHFLFIWGNNG-IGSZLMQBSA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12426" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_101054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23-/m1/s1" ; chebi:inchikey "AKULYVRZEMKLJR-VBURHUQHSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12427" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C18H20F3N3O4" ; chebi:inchi "InChI=1S/C18H20F3N3O4/c19-18(20,21)8-22-16(27)15-11(7-25)10-6-23-12(2-1-3-13(23)26)14(10)24(15)17(28)9-4-5-9/h1-3,9-11,14-15,25H,4-8H2,(H,22,27)/t10-,11-,14+,15-/m1/s1" ; chebi:inchikey "HYHGLNWEXAHCEQ-HKCMKHECSA-N" ; chebi:mass "399.365" ; chebi:monoisotopicmass "399.14059" ; chebi:smiles "C1CC1C(=O)N2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12428" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19-/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-WQCNXYOZSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12429" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12429" . obo:CHEBI_101057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b679 rdf:type owl:Restriction . obo:CHEBI_101057 rdfs:subClassOf _:b679 . _:b679 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_101057 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-QRVBRYPASA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12430" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_101058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22-,23+/m0/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-PABCKOPISA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12431" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H20F2N4O5" ; chebi:inchi "InChI=1S/C24H20F2N4O5/c25-13-3-5-16(26)17(8-13)28-24(35)30-19-10-29-18(21(30)20(23(33)34)15(19)11-31)6-4-14(22(29)32)12-2-1-7-27-9-12/h1-9,15,19-21,31H,10-11H2,(H,28,35)(H,33,34)/t15-,19-,20+,21+/m0/s1" ; chebi:inchikey "VFFJPMQBAVMOHZ-JWOSDPRPSA-N" ; chebi:mass "482.437" ; chebi:monoisotopicmass "482.14018" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)NC3=C(C=CC(=C3)F)F)C4=CC=C(C(=O)N41)C5=CN=CC=C5)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12432" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12432" . obo:CHEBI_10106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25106 ; rdfs:subClassOf obo:CHEBI_33572 . _:b680 rdf:type owl:Restriction . obo:CHEBI_10106 rdfs:subClassOf _:b680 . _:b680 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76946 . _:b681 rdf:type owl:Restriction . obo:CHEBI_10106 rdfs:subClassOf _:b681 . _:b681 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76990 . obo:CHEBI_10106 obo:IAO_0000115 "A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species." ; chebi:charge "0" ; chebi:formula "C18H22O5" ; chebi:inchi "InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1" ; chebi:inchikey "MBMQEIFVQACCCH-QBODLPLBSA-N" ; chebi:mass "318.36430" ; chebi:monoisotopicmass "318.14672" ; chebi:smiles "C[C@H]1CCCC(=O)CCC\\C=C\\c2cc(O)cc(O)c2C(=O)O1" ; oboInOwl:hasDbXref "CAS:17924-92-4" ; oboInOwl:hasDbXref "KEGG:C09981" ; oboInOwl:hasDbXref "KNApSAcK:C00003025" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPK04000016" ; oboInOwl:hasDbXref "PMID:17339071" ; oboInOwl:hasDbXref "PMID:18027362" ; oboInOwl:hasDbXref "PMID:18221829" ; oboInOwl:hasDbXref "PMID:18280460" ; oboInOwl:hasDbXref "PMID:18692541" ; oboInOwl:hasDbXref "PMID:20654554" ; oboInOwl:hasDbXref "Reaxys:4875541" ; oboInOwl:hasExactSynonym "(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-Zearalenone" ; oboInOwl:hasRelatedSynonym "(10S)-Zearalenone" ; oboInOwl:hasRelatedSynonym "(S)-(-)-Zearalenone" ; oboInOwl:hasRelatedSynonym "(S)-Zearalenone" ; oboInOwl:hasRelatedSynonym "(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione" ; oboInOwl:hasRelatedSynonym "6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone" ; oboInOwl:hasRelatedSynonym "trans-Zearalenone" ; oboInOwl:id "CHEBI:10106" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zearalenone" . _:b682 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:17924-92-4" ; rdfs:label "ChemIDplus" . _:b683 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:17924-92-4" ; rdfs:label "KEGG COMPOUND" . _:b684 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPK04000016" ; rdfs:label "LIPID MAPS" . _:b685 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17339071" ; rdfs:label "Europe PMC" . _:b686 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18027362" ; rdfs:label "Europe PMC" . _:b687 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18221829" ; rdfs:label "Europe PMC" . _:b688 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18280460" ; rdfs:label "Europe PMC" . _:b689 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18692541" ; rdfs:label "Europe PMC" . _:b690 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20654554" ; rdfs:label "Europe PMC" . _:b691 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:4875541" ; rdfs:label "Reaxys" . _:b692 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b693 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-Zearalenone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b694 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(10S)-Zearalenone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b695 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-(-)-Zearalenone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b696 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-Zearalenone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b697 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione" ; oboInOwl:hasDbXref "ChemIDplus" . _:b698 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b699 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10106 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "trans-Zearalenone" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_101060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20+,22+/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-KHNCNGADSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12433" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20+,21-/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-MBPVOVBZSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12434" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16-,21+/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-ZOCZFRKYSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12435" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101063 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18358 ; owl:deprecated true . obo:CHEBI_101064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; rdfs:subClassOf obo:CHEBI_37149 ; rdfs:subClassOf obo:CHEBI_50996 ; rdfs:subClassOf obo:CHEBI_76224 ; rdfs:subClassOf obo:CHEBI_78840 ; rdfs:subClassOf obo:CHEBI_83575 . _:b700 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b700 . _:b700 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_101086 . _:b701 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b701 . _:b701 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b702 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b702 . _:b702 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_41308 . _:b703 rdf:type owl:Restriction . obo:CHEBI_101064 rdfs:subClassOf _:b703 . _:b703 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_101224 . obo:CHEBI_101064 obo:IAO_0000115 "An aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase." ; chebi:charge "0" ; chebi:formula "C23H27BrFNO2" ; chebi:inchi "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3" ; chebi:inchikey "CMYCCJYVZIMDFU-UHFFFAOYSA-N" ; chebi:mass "448.369" ; chebi:monoisotopicmass "447.12092" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCCN(CC=C)C)C=2C=CC(=CC2)Br" ; oboInOwl:hasDbXref "CAS:161582-11-2" ; oboInOwl:hasDbXref "PMID:24486573" ; oboInOwl:hasDbXref "PMID:24878988" ; oboInOwl:hasDbXref "PMID:25051231" ; oboInOwl:hasDbXref "PMID:25761781" ; oboInOwl:hasDbXref "PMID:26033687" ; oboInOwl:hasDbXref "PMID:26123692" ; oboInOwl:hasDbXref "Reaxys:9437469" ; oboInOwl:hasExactSynonym "(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101064" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071" . _:b704 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:161582-11-2" ; rdfs:label "ChemIDplus" . _:b705 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24486573" ; rdfs:label "Europe PMC" . _:b706 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24878988" ; rdfs:label "Europe PMC" . _:b707 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25051231" ; rdfs:label "Europe PMC" . _:b708 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25761781" ; rdfs:label "Europe PMC" . _:b709 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26033687" ; rdfs:label "Europe PMC" . _:b710 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26123692" ; rdfs:label "Europe PMC" . _:b711 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:9437469" ; rdfs:label "Reaxys" . _:b712 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101064 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_101065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O3" ; chebi:inchi "InChI=1S/C23H29N5O3/c1-25-9-11-26(12-10-25)23(31)21-17(15-29)19-14-27-18(3-2-4-20(27)30)22(21)28(19)13-16-5-7-24-8-6-16/h2-8,17,19,21-22,29H,9-15H2,1H3/t17-,19-,21+,22+/m1/s1" ; chebi:inchikey "BSTTWZJBQFNDNI-IVOMFYJKSA-N" ; chebi:mass "423.509" ; chebi:monoisotopicmass "423.22704" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CC5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12437" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12437" . obo:CHEBI_101066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "KNLROJRONDBMAV-JKSBSHDWSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12438" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16-,18-,20+/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-PFSLXQJOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12439" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_101068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26+,28+/m1/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-OEZGUAFWSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12440" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m1/s1" ; chebi:inchikey "VHVNEVJWYRMESY-BUEREQSYSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12441" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12441" . obo:CHEBI_10107 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16522 ; owl:deprecated true . obo:CHEBI_101070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28-/m1/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-RXWNPYQGSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-12442" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29N3O4" ; chebi:inchi "InChI=1S/C25H29N3O4/c1-26(2)25(32)21-18(14-29)20-13-27-19(22(21)28(20)23(30)16-9-6-10-16)12-11-17(24(27)31)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,18,20-22,29H,6,9-10,13-14H2,1-2H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "MBRBGBQUUNVPJA-YJMBLLCNSA-N" ; chebi:mass "435.516" ; chebi:monoisotopicmass "435.21581" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2C(=O)C5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12443" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12443" . obo:CHEBI_101072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20+/m1/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-BPAFIMBUSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12444" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H38N4O4S" ; chebi:inchi "InChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m1/s1" ; chebi:inchikey "WMNVIWBOXVWRSQ-ZCQGCHJCSA-N" ; chebi:mass "562.725" ; chebi:monoisotopicmass "562.26138" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12445" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "YDXYYDXTJISMJT-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12446" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H36N2O5" ; chebi:inchi "InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19-,20+/m1/s1" ; chebi:inchikey "NCINSYYDRJCYKJ-WTGUMLROSA-N" ; chebi:mass "396.522" ; chebi:monoisotopicmass "396.26242" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12447" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-FWSIMYTDSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12448" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_101077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24+,26+/m0/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-FBNDAJROSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12449" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21-,22+/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-MYGLTJDJSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12450" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22+,23+/m1/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-VJBWXMMDSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12451" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10108 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27547 ; owl:deprecated true . obo:CHEBI_101080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24-,30-/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-NULUGNBJSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12452" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12452" . obo:CHEBI_101081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O6" ; chebi:inchi "InChI=1S/C21H28N2O6/c1-27-19(25)10-14-9-16-15-8-13(23-21(26)22-12-4-2-3-5-12)6-7-17(15)29-20(16)18(11-24)28-14/h6-8,12,14,16,18,20,24H,2-5,9-11H2,1H3,(H2,22,23,26)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "KXSIODNMTPRENB-UQWBFEFOSA-N" ; chebi:mass "404.458" ; chebi:monoisotopicmass "404.19474" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12453" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24+,26-/m0/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-RXDHMRHRSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12454" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-IZZBFERCSA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12455" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18-,19+/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-LULLPPNCSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-12456" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; rdfs:subClassOf obo:CHEBI_35358 . _:b713 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b713 . _:b713 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_23018 . _:b714 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b714 . _:b714 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_39456 . _:b715 rdf:type owl:Restriction . obo:CHEBI_101085 rdfs:subClassOf _:b715 . _:b715 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_66981 . obo:CHEBI_101085 obo:IAO_0000115 "A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma." ; chebi:charge "0" ; chebi:formula "C6H6Cl2N2O4S2" ; chebi:inchi "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)" ; chebi:inchikey "GJQPMPFPNINLKP-UHFFFAOYSA-N" ; chebi:mass "305.15900" ; chebi:monoisotopicmass "303.91460" ; chebi:smiles "NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O" ; oboInOwl:hasAlternativeId "CHEBI:4505" ; oboInOwl:hasAlternativeId "CHEBI:47477" ; oboInOwl:hasDbXref "Beilstein:2703329" ; oboInOwl:hasDbXref "CAS:120-97-8" ; oboInOwl:hasDbXref "DrugBank:DB01144" ; oboInOwl:hasDbXref "Drug_Central:864" ; oboInOwl:hasDbXref "KEGG:C07459" ; oboInOwl:hasDbXref "KEGG:D00518" ; oboInOwl:hasDbXref "LINCS:LSM-3602" ; oboInOwl:hasDbXref "PDBeChem:I7A" ; oboInOwl:hasDbXref "Patent:US2835702" ; oboInOwl:hasDbXref "Wikipedia:Dichlorphenamide" ; oboInOwl:hasExactSynonym "4,5-dichlorobenzene-1,3-disulfonamide" ; oboInOwl:hasExactSynonym "DICLOFENAMIDE" ; oboInOwl:hasExactSynonym "Diclofenamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,3-disulfamoyl-4,5-dichlorobenzene" ; oboInOwl:hasRelatedSynonym "1,3-disulfamyl-4,5-dichlorobenzene" ; oboInOwl:hasRelatedSynonym "3,4-dichloro-5-sulfamylbenzenesulfonamide" ; oboInOwl:hasRelatedSynonym "4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE" ; oboInOwl:hasRelatedSynonym "4,5-dichloro-1,3-benzenedisulfonamide" ; oboInOwl:hasRelatedSynonym "4,5-dichloro-1,3-disulfamoylbenzene" ; oboInOwl:hasRelatedSynonym "4,5-dichloro-benzene-1,3-disulfonic acid diamide" ; oboInOwl:hasRelatedSynonym "4,5-dichloro-m-benzenedisulfonamide" ; oboInOwl:hasRelatedSynonym "DICHLORPHENAMIDE" ; oboInOwl:hasRelatedSynonym "Dichlorophenamide" ; oboInOwl:hasRelatedSynonym "Dichlorphenamide" ; oboInOwl:hasRelatedSynonym "dichlofenamide" ; oboInOwl:hasRelatedSynonym "dichlorophenamide" ; oboInOwl:hasRelatedSynonym "dichlorphenamide" ; oboInOwl:hasRelatedSynonym "diclofenamida" ; oboInOwl:hasRelatedSynonym "diclofenamidum" ; oboInOwl:id "CHEBI:101085" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "diclofenamide" . _:b716 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2703329" ; rdfs:label "Beilstein" . _:b717 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:120-97-8" ; rdfs:label "ChemIDplus" . _:b718 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:120-97-8" ; rdfs:label "KEGG COMPOUND" . _:b719 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:120-97-8" ; rdfs:label "NIST Chemistry WebBook" . _:b720 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:864" ; rdfs:label "DrugCentral" . _:b721 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4,5-dichlorobenzene-1,3-disulfonamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b722 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "DICLOFENAMIDE" ; oboInOwl:hasDbXref "ChEMBL" . _:b723 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Diclofenamide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b724 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,3-disulfamoyl-4,5-dichlorobenzene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b725 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,3-disulfamyl-4,5-dichlorobenzene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b726 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3,4-dichloro-5-sulfamylbenzenesulfonamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b727 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE" ; oboInOwl:hasDbXref "PDBeChem" . _:b728 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-dichloro-1,3-benzenedisulfonamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b729 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-dichloro-1,3-disulfamoylbenzene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b730 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-dichloro-benzene-1,3-disulfonic acid diamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b731 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-dichloro-m-benzenedisulfonamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b732 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "DICHLORPHENAMIDE" ; oboInOwl:hasDbXref "ChEMBL" . _:b733 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Dichlorophenamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b734 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Dichlorphenamide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b735 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dichlofenamide" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . _:b736 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dichlorophenamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b737 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dichlorphenamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b738 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diclofenamida" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b739 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101085 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diclofenamidum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_101090 ; obo:IAO_0000115 "An EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitor that interferes with the action of lanosterol synthase (EC 5.4.99.7)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101086" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 5.4.99.7 (lanosterol synthase) inhibitor" . obo:CHEBI_101087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24+,27-/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-YRGRZTQCSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12458" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16733 ; chebi:charge "0" ; chebi:formula "C28H26N2O6" ; chebi:inchi "InChI=1S/C28H26N2O6/c31-15-21-20-14-29-22(10-9-19(27(29)32)8-6-17-4-2-1-3-5-17)25(20)30(26(21)28(33)34)13-18-7-11-23-24(12-18)36-16-35-23/h1-12,20-21,25-26,31H,13-16H2,(H,33,34)/t20-,21-,25+,26-/m1/s1" ; chebi:inchikey "JUBZNFCZFZOAAP-YTFNCPKPSA-N" ; chebi:mass "486.517" ; chebi:monoisotopicmass "486.17909" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12459" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12459" . obo:CHEBI_101089 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_4702 ; owl:deprecated true . obo:CHEBI_10109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C19H24O7" ; chebi:inchi "InChI=1S/C19H24O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-15,20,23H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1" ; chebi:inchikey "PKPVGZROZJWCTE-GIKWLFIVSA-N" ; chebi:mass "364.390" ; chebi:monoisotopicmass "364.15220" ; chebi:smiles "CC(=C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)\\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12" ; oboInOwl:hasDbXref "CAS:34302-19-7" ; oboInOwl:hasDbXref "KEGG:C09607" ; oboInOwl:hasDbXref "KNApSAcK:C00003398" ; oboInOwl:hasExactSynonym "Zexbrevin B" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zexbrevin B" . _:b740 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10109 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:34302-19-7" ; rdfs:label "KEGG COMPOUND" . _:b741 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10109 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zexbrevin B" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76695 ; obo:IAO_0000115 "An EC 5.4.* (intramolecular transferase) inhibitor that interferes with the activity of any intramolecular transferase transferring other groups (EC 5.4.99.*)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitors" ; oboInOwl:hasRelatedSynonym "EC 5.4.99.* inhibitor" ; oboInOwl:hasRelatedSynonym "EC 5.4.99.* inhibitors" ; oboInOwl:hasRelatedSynonym "inhibitor of intramolecular transferase transferring other groups" ; oboInOwl:hasRelatedSynonym "inhibitors of intramolecular transferase transferring other groups" ; oboInOwl:hasRelatedSynonym "intramolecular transferase transferring other groups inhibitor" ; oboInOwl:hasRelatedSynonym "intramolecular transferase transferring other groups inhibitors" ; oboInOwl:id "CHEBI:101090" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitor" . _:b742 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 5.4.99.* (intramolecular transferase transferring other groups) inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b743 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 5.4.99.* inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b744 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 5.4.99.* inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b745 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "inhibitor of intramolecular transferase transferring other groups" ; oboInOwl:hasDbXref "ChEBI" . _:b746 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "inhibitors of intramolecular transferase transferring other groups" ; oboInOwl:hasDbXref "ChEBI" . _:b747 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "intramolecular transferase transferring other groups inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b748 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101090 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "intramolecular transferase transferring other groups inhibitors" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25+,28+/m1/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-ATILKMQGSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12461" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_101092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18-,24-/m1/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-QZTZHPFYSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12462" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17+,18-/m0/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-KSZLIROESA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12463" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22-,23+/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-ACIOBRDBSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@@H]([C@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12464" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_101095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14-,15-/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-RBSFLKMASA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-12465" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_37947 . _:b749 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b749 . _:b749 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_23018 . _:b750 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b750 . _:b750 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35498 . _:b751 rdf:type owl:Restriction . obo:CHEBI_101096 rdfs:subClassOf _:b751 . _:b751 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_39456 . obo:CHEBI_101096 obo:IAO_0000115 "1,3-Benzothiazole substituted a sulfonamide and an ethoxy group at positions 2 and 6, respectively. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic." ; chebi:charge "0" ; chebi:formula "C9H10N2O3S2" ; chebi:inchi "InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)" ; chebi:inchikey "OUZWUKMCLIBBOG-UHFFFAOYSA-N" ; chebi:mass "258.31700" ; chebi:monoisotopicmass "258.01328" ; chebi:smiles "CCOc1ccc2nc(sc2c1)S(N)(=O)=O" ; oboInOwl:hasDbXref "CAS:452-35-7" ; oboInOwl:hasDbXref "DrugBank:DB00311" ; oboInOwl:hasDbXref "Drug_Central:1089" ; oboInOwl:hasDbXref "KEGG:D02441" ; oboInOwl:hasDbXref "LINCS:LSM-18787" ; oboInOwl:hasDbXref "PMID:10411484" ; oboInOwl:hasDbXref "PMID:11087579" ; oboInOwl:hasDbXref "PMID:11123998" ; oboInOwl:hasDbXref "PMID:11906288" ; oboInOwl:hasDbXref "PMID:12039560" ; oboInOwl:hasDbXref "PMID:12617903" ; oboInOwl:hasDbXref "PMID:12617904" ; oboInOwl:hasDbXref "PMID:12643899" ; oboInOwl:hasDbXref "PMID:12747790" ; oboInOwl:hasDbXref "PMID:12747791" ; oboInOwl:hasDbXref "PMID:14611846" ; oboInOwl:hasDbXref "PMID:14640555" ; oboInOwl:hasDbXref "PMID:14684333" ; oboInOwl:hasDbXref "PMID:14971907" ; oboInOwl:hasDbXref "PMID:15081039" ; oboInOwl:hasDbXref "PMID:15139757" ; oboInOwl:hasDbXref "PMID:15149691" ; oboInOwl:hasDbXref "PMID:15454239" ; oboInOwl:hasDbXref "PMID:15456265" ; oboInOwl:hasDbXref "PMID:15501039" ; oboInOwl:hasDbXref "PMID:15546717" ; oboInOwl:hasDbXref "PMID:15603956" ; oboInOwl:hasDbXref "PMID:15664816" ; oboInOwl:hasDbXref "PMID:15686894" ; oboInOwl:hasDbXref "PMID:15686895" ; oboInOwl:hasDbXref "PMID:15686931" ; oboInOwl:hasDbXref "PMID:15771455" ; oboInOwl:hasDbXref "PMID:15837316" ; oboInOwl:hasDbXref "PMID:15837325" ; oboInOwl:hasDbXref "PMID:15905091" ; oboInOwl:hasDbXref "PMID:15908201" ; oboInOwl:hasDbXref "PMID:15908204" ; oboInOwl:hasDbXref "PMID:16033263" ; oboInOwl:hasDbXref "PMID:16039848" ; oboInOwl:hasDbXref "PMID:16039853" ; oboInOwl:hasDbXref "PMID:16165351" ; oboInOwl:hasDbXref "PMID:16168653" ; oboInOwl:hasDbXref "PMID:16302824" ; oboInOwl:hasDbXref "PMID:16459077" ; oboInOwl:hasDbXref "PMID:16539401" ; oboInOwl:hasDbXref "PMID:16809036" ; oboInOwl:hasDbXref "PMID:16942027" ; oboInOwl:hasDbXref "PMID:17064072" ; oboInOwl:hasDbXref "PMID:17125255" ; oboInOwl:hasDbXref "PMID:17157501" ; oboInOwl:hasDbXref "PMID:17228881" ; oboInOwl:hasDbXref "PMID:17251018" ; oboInOwl:hasDbXref "PMID:17276072" ; oboInOwl:hasDbXref "PMID:17343373" ; oboInOwl:hasDbXref "PMID:17475500" ; oboInOwl:hasDbXref "PMID:17482815" ; oboInOwl:hasDbXref "PMID:17540563" ; oboInOwl:hasDbXref "PMID:17588751" ; oboInOwl:hasDbXref "PMID:17646100" ; oboInOwl:hasDbXref "PMID:17681760" ; oboInOwl:hasDbXref "PMID:17826101" ; oboInOwl:hasDbXref "PMID:18042384" ; oboInOwl:hasDbXref "PMID:18242985" ; oboInOwl:hasDbXref "PMID:18307288" ; oboInOwl:hasDbXref "PMID:18359629" ; oboInOwl:hasDbXref "PMID:18374572" ; oboInOwl:hasDbXref "PMID:18513964" ; oboInOwl:hasDbXref "PMID:2585443" ; oboInOwl:hasDbXref "PMID:2810337" ; oboInOwl:hasDbXref "PMID:6737424" ; oboInOwl:hasDbXref "Patent:GB795174" ; oboInOwl:hasDbXref "Patent:US2868800" ; oboInOwl:hasDbXref "Wikipedia:Ethoxzolamide" ; oboInOwl:hasExactSynonym "6-ethoxy-1,3-benzothiazole-2-sulfonamide" ; oboInOwl:hasExactSynonym "ETHOXZOLAMIDE" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "6-Ethoxy-benzothiazole-2-sulfonic acid amide" ; oboInOwl:hasRelatedSynonym "6-ethoxy-2-benzothiazolesulfonamide" ; oboInOwl:hasRelatedSynonym "6-ethoxybenzothiazole-2-sulfonamide" ; oboInOwl:hasRelatedSynonym "ethoxazolamide" ; oboInOwl:hasRelatedSynonym "ethoxyzolamide" ; oboInOwl:id "CHEBI:101096" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ethoxzolamide" . _:b752 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:452-35-7" ; rdfs:label "ChemIDplus" . _:b753 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:452-35-7" ; rdfs:label "KEGG DRUG" . _:b754 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; 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owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6737424" ; rdfs:label "ChEMBL" . _:b821 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-ethoxy-1,3-benzothiazole-2-sulfonamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b822 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "ETHOXZOLAMIDE" ; oboInOwl:hasDbXref "ChEMBL" . _:b823 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Ethoxy-benzothiazole-2-sulfonic acid amide" ; oboInOwl:hasDbXref "ChEMBL" . _:b824 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-ethoxy-2-benzothiazolesulfonamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b825 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-ethoxybenzothiazole-2-sulfonamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b826 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ethoxazolamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b827 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101096 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ethoxyzolamide" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_101097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50921 . _:b828 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b828 . _:b828 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_101224 . _:b829 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b829 . _:b829 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_37154 . _:b830 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b830 . _:b830 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_101086 . _:b831 rdf:type owl:Restriction . obo:CHEBI_101097 rdfs:subClassOf _:b831 . _:b831 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_101097 obo:IAO_0000115 "A fumarate salt obtained by combining Ro 48-8071 with one molar equivalent of fumaric acid. An inhibitor of lanosterol synthase." ; chebi:charge "0" ; chebi:formula "C27H31BrFNO6" ; chebi:inchi "InChI=1S/C23H27BrFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+" ; chebi:inchikey "XCYAYLWZCRGKDS-WLHGVMLRSA-N" ; chebi:mass "564.441" ; chebi:monoisotopicmass "563.13188" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCCN(CC=C)C)C=2C=CC(=CC2)Br.C(\\C(O)=O)=C/C(O)=O" ; oboInOwl:hasDbXref "CAS:189197-69-1" ; oboInOwl:hasDbXref "PMID:24486573" ; oboInOwl:hasDbXref "PMID:24878988" ; oboInOwl:hasDbXref "PMID:25051231" ; oboInOwl:hasDbXref "PMID:25761781" ; oboInOwl:hasDbXref "PMID:26033687" ; oboInOwl:hasDbXref "PMID:26123692" ; oboInOwl:hasDbXref "Reaxys:9462030" ; oboInOwl:hasExactSynonym "(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone (2E)-but-2-enedioate" ; oboInOwl:hasExactSynonym "6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium (2E)-3-carboxyprop-2-enoate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101097" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071 fumarate" . _:b832 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:189197-69-1" ; rdfs:label "ChemIDplus" . _:b833 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24486573" ; rdfs:label "Europe PMC" . _:b834 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24878988" ; rdfs:label "Europe PMC" . _:b835 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25051231" ; rdfs:label "Europe PMC" . _:b836 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25761781" ; rdfs:label "Europe PMC" . _:b837 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26033687" ; rdfs:label "Europe PMC" . _:b838 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26123692" ; rdfs:label "Europe PMC" . _:b839 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:9462030" ; rdfs:label "Reaxys" . _:b840 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone (2E)-but-2-enedioate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b841 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101097 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium (2E)-3-carboxyprop-2-enoate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_101098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27-,29-/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-SYBYNBCQSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12467" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22+,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-OSFFKXSWSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12468" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_1011 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15998 ; owl:deprecated true . obo:CHEBI_10110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22680 ; rdfs:subClassOf obo:CHEBI_48441 . _:b842 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b842 . _:b842 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35221 . _:b843 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b843 . _:b843 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36044 . _:b844 rdf:type owl:Restriction . obo:CHEBI_10110 rdfs:subClassOf _:b844 . _:b844 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53756 . obo:CHEBI_10110 obo:IAO_0000115 "A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase." ; chebi:charge "0" ; chebi:formula "C10H13N5O4" ; chebi:inchi "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1" ; chebi:inchikey "HBOMLICNUCNMMY-XLPZGREQSA-N" ; chebi:mass "267.24130" ; chebi:monoisotopicmass "267.09675" ; chebi:smiles "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O" ; oboInOwl:hasAlternativeId "CHEBI:619601" ; oboInOwl:hasDbXref "Beilstein:763034" ; oboInOwl:hasDbXref "CAS:30516-87-1" ; oboInOwl:hasDbXref "DrugBank:DB00495" ; oboInOwl:hasDbXref "Drug_Central:2861" ; oboInOwl:hasDbXref "KEGG:C07210" ; oboInOwl:hasDbXref "KEGG:D00413" ; oboInOwl:hasDbXref "LINCS:LSM-5806" ; oboInOwl:hasDbXref "MetaCyc:CPD-15110" ; oboInOwl:hasDbXref "PDBeChem:AZZ" ; oboInOwl:hasDbXref "PMID:19112024" ; oboInOwl:hasDbXref "PMID:26859826" ; oboInOwl:hasDbXref "PMID:29438107" ; oboInOwl:hasDbXref "PMID:9203666" ; oboInOwl:hasDbXref "Patent:US4724232" ; oboInOwl:hasDbXref "Wikipedia:Zidovudine" ; oboInOwl:hasExactSynonym "3'-azido-3'-deoxythymidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "AZT" ; oboInOwl:hasRelatedSynonym "Azidothymidine" ; oboInOwl:hasRelatedSynonym "Retrovir" ; oboInOwl:hasRelatedSynonym "Zidovudin" ; oboInOwl:hasRelatedSynonym "Zidovudinum" ; oboInOwl:hasRelatedSynonym "zidovudine" ; oboInOwl:id "CHEBI:10110" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zidovudine" . _:b845 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:763034" ; rdfs:label "Beilstein" . _:b846 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30516-87-1" ; rdfs:label "ChemIDplus" . _:b847 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30516-87-1" ; rdfs:label "DrugBank" . _:b848 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30516-87-1" ; rdfs:label "KEGG COMPOUND" . _:b849 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:30516-87-1" ; rdfs:label "KEGG DRUG" . _:b850 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2861" ; rdfs:label "DrugCentral" . _:b851 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19112024" ; rdfs:label "ChEMBL" . _:b852 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26859826" ; rdfs:label "Europe PMC" . _:b853 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:29438107" ; rdfs:label "Europe PMC" . _:b854 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9203666" ; rdfs:label "Europe PMC" . _:b855 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "3'-azido-3'-deoxythymidine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b856 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "AZT" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b857 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Azidothymidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b858 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Retrovir" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b859 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zidovudin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b860 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zidovudinum" ; oboInOwl:hasDbXref "ChemIDplus" . _:b861 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10110 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zidovudine" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24+,26+/m1/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-HUZKPYMCSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12469" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22-,24-,27+/m0/s1" ; chebi:inchikey "NURZYHIHZDJTSB-MWLAQPAQSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12470" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H29ClF2N2O4" ; chebi:inchi "InChI=1S/C25H29ClF2N2O4/c26-18-3-1-16(2-4-18)11-29-25(32)10-21-6-8-23-24(34-21)15-33-14-20(31)13-30(23)12-17-9-19(27)5-7-22(17)28/h1-5,7,9,20-21,23-24,31H,6,8,10-15H2,(H,29,32)/t20-,21-,23-,24+/m1/s1" ; chebi:inchikey "VYCGBAYEGCCJIH-KOVSNXQUSA-N" ; chebi:mass "494.959" ; chebi:monoisotopicmass "494.17839" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=C(C=CC(=C3)F)F)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12471" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-WENCSYSZSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12472" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12472" . obo:CHEBI_101104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "UGRHUCUWEJLITN-XHSDSOJGSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12473" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_101105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21-/m1/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-LLGFUMIMSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12474" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9S)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17-,19-/m0/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-PZFZOXMESA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12475" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BWLGUYNBSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12476" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12476" . obo:CHEBI_101108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H32N4O4" ; chebi:inchi "InChI=1S/C28H32N4O4/c33-16-23-22-15-31-24(7-4-8-25(31)34)26(22)32(14-21-17-36-18-29-21)27(23)28(35)30-11-9-20(10-12-30)13-19-5-2-1-3-6-19/h1-8,17-18,20,22-23,26-27,33H,9-16H2/t22-,23-,26+,27-/m1/s1" ; chebi:inchikey "YCNDEIYRXZASMY-JUIYCPNDSA-N" ; chebi:mass "488.579" ; chebi:monoisotopicmass "488.24236" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=O)C=CC=C5[C@H]4N3CC6=COC=N6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12477" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m0/s1" ; chebi:inchikey "JAGKHPQTGSVHMY-RGLUPAHUSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12478" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_10111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23436 ; chebi:charge "0" ; chebi:formula "C14H17NO7" ; chebi:inchi "InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1" ; chebi:inchikey "KCVXNPDAHDGXFD-YOVYLDAJSA-N" ; chebi:mass "311.288" ; chebi:monoisotopicmass "311.10050" ; chebi:smiles "OC[C@H]1O[C@@H](O[C@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasDbXref "CAS:645-02-3" ; oboInOwl:hasDbXref "KEGG:C08345" ; oboInOwl:hasDbXref "KNApSAcK:C00001460" ; oboInOwl:hasExactSynonym "Zierin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)" ; oboInOwl:id "CHEBI:10111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zierin" . _:b862 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10111 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:645-02-3" ; rdfs:label "KEGG COMPOUND" . _:b863 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10111 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zierin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b864 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10111 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-3-hydroxy-, (S)" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17+,23-/m0/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-MFEFFIJZSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12479" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C23H30N2O3" ; chebi:inchi "InChI=1S/C23H30N2O3/c1-16-13-25(17(2)14-26)23(27)21-11-7-6-10-20(21)19-9-5-4-8-18(19)15-28-22(16)12-24-3/h4-11,16-17,22,24,26H,12-15H2,1-3H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VMUIUYUBOUUZSN-GSHUGGBRSA-N" ; chebi:mass "382.497" ; chebi:monoisotopicmass "382.22564" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12480" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12480" . obo:CHEBI_101112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "SADUCKDCBXEUGG-AYEZKCMBSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12481" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22+,23-/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-ROEJJBDBSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12482" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_101114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32FN3O3" ; chebi:inchi "InChI=1S/C29H32FN3O3/c1-3-14-32-26-23(24(17-34)27(32)28(35)31-18(2)19-8-5-4-6-9-19)16-33-25(26)13-12-22(29(33)36)20-10-7-11-21(30)15-20/h4-13,15,18,23-24,26-27,34H,3,14,16-17H2,1-2H3,(H,31,35)/t18-,23-,24-,26+,27-/m1/s1" ; chebi:inchikey "FDXOBPCLNSDZHU-MQWSOPDOSA-N" ; chebi:mass "489.582" ; chebi:monoisotopicmass "489.24277" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)N[C@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12483" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23-,25+,27+/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-VRTJCWFZSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12484" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "JEKWQBVWBTUQQJ-VPYPWEPUSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12485" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12485" . obo:CHEBI_101117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15+,16+/m1/s1" ; chebi:inchikey "IXKFMJFBYVYICU-PMPSAXMXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12486" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3S,6S)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H25N3O3" ; chebi:inchi "InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20-/m1/s1" ; chebi:inchikey "KJLVFPZXKUGLPF-WSTZPKSXSA-N" ; chebi:mass "355.432" ; chebi:monoisotopicmass "355.18959" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)CN3CCOCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12487" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12487" . obo:CHEBI_101119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24-,26+,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-WIHQZPQOSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12488" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38836 ; rdfs:subClassOf obo:CHEBI_47857 . _:b865 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b865 . _:b865 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35475 . _:b866 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b866 . _:b866 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49159 . _:b867 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b867 . _:b867 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49167 . _:b868 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b868 . _:b868 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_64964 . _:b869 rdf:type owl:Restriction . obo:CHEBI_10112 rdfs:subClassOf _:b869 . _:b869 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35858 . obo:CHEBI_10112 obo:IAO_0000115 "A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma." ; chebi:charge "0" ; chebi:formula "C11H12N2O2S" ; chebi:inchi "InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)" ; chebi:inchikey "MWLSOWXNZPKENC-UHFFFAOYSA-N" ; chebi:mass "236.29126" ; chebi:monoisotopicmass "236.06195" ; chebi:smiles "CC(N(O)C(N)=O)c1cc2ccccc2s1" ; oboInOwl:hasDbXref "CAS:111406-87-2" ; oboInOwl:hasDbXref "DrugBank:DB00744" ; oboInOwl:hasDbXref "Drug_Central:2862" ; oboInOwl:hasDbXref "KEGG:D00414" ; oboInOwl:hasDbXref "LINCS:LSM-5084" ; oboInOwl:hasDbXref "PMID:19309543" ; oboInOwl:hasDbXref "PMID:19645854" ; oboInOwl:hasDbXref "PMID:20204486" ; oboInOwl:hasDbXref "PMID:20436887" ; oboInOwl:hasDbXref "Reaxys:4869674" ; oboInOwl:hasDbXref "Wikipedia:Zileuton" ; oboInOwl:hasExactSynonym "1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea" ; oboInOwl:hasExactSynonym "Zileuton" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea" ; oboInOwl:hasRelatedSynonym "Leutrol" ; oboInOwl:hasRelatedSynonym "N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea" ; oboInOwl:hasRelatedSynonym "N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea" ; oboInOwl:hasRelatedSynonym "Zyflo" ; oboInOwl:hasRelatedSynonym "zileuton" ; oboInOwl:hasRelatedSynonym "zileutonum" ; oboInOwl:id "CHEBI:10112" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zileuton" . _:b870 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:111406-87-2" ; rdfs:label "ChemIDplus" . _:b871 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:111406-87-2" ; rdfs:label "KEGG DRUG" . _:b872 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2862" ; rdfs:label "DrugCentral" . _:b873 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19309543" ; rdfs:label "Europe PMC" . _:b874 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19645854" ; rdfs:label "Europe PMC" . _:b875 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20204486" ; rdfs:label "Europe PMC" . _:b876 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20436887" ; rdfs:label "Europe PMC" . _:b877 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:4869674" ; rdfs:label "Reaxys" . _:b878 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b879 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zileuton" ; oboInOwl:hasDbXref "KEGG_DRUG" . _:b880 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea" ; oboInOwl:hasDbXref "ChEBI" . _:b881 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Leutrol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b882 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea" ; oboInOwl:hasDbXref "ChemIDplus" . _:b883 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea" ; oboInOwl:hasDbXref "ChEBI" . _:b884 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zyflo" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b885 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zileuton" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b886 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zileuton" ; oboInOwl:hasDbXref "WHO_MedNet" ; oboInOwl:hasSynonymType chebi2:INN . _:b887 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10112 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zileutonum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(26(33)20-6-5-11-28-13-20)18(2)16-36-23-10-9-21(29-25(32)19-7-8-19)12-22(23)27(34)30(3)15-24(17)35-4/h5-6,9-13,17-19,24H,7-8,14-16H2,1-4H3,(H,29,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DILHJWACXDWAEF-YTZAWJCFSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12489" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20-,24+,26+/m0/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-DCCOOJGFSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12490" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18-,25-/m0/s1" ; chebi:inchikey "UZJARJIYRQCXCT-RPPIVITFSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasDbXref "LINCS:LSM-12491" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22+,23-/m0/s1" ; chebi:inchikey "POAXSVANNSAIAV-ZRBLBEILSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12492" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H34N4O7" ; chebi:inchi "InChI=1S/C32H34N4O7/c1-36-26-11-10-23(15-30(37)33-21-8-7-19-16-41-17-20(19)13-21)43-29(26)18-42-27-12-9-22(14-24(27)31(36)38)34-32(39)35-25-5-3-4-6-28(25)40-2/h3-9,12-14,23,26,29H,10-11,15-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26+,29-/m1/s1" ; chebi:inchikey "XZXFEFKMJGRIPH-ZSOKXDGFSA-N" ; chebi:mass "586.636" ; chebi:monoisotopicmass "586.24275" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4OC)CC(=O)NC5=CC6=C(COC6)C=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12493" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide" . obo:CHEBI_101125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29N3O7S" ; chebi:inchi "InChI=1S/C21H29N3O7S/c1-23-17-5-4-15(12-20(25)24-7-9-29-10-8-24)31-19(17)13-30-18-6-3-14(22-32(2,27)28)11-16(18)21(23)26/h3,6,11,15,17,19,22H,4-5,7-10,12-13H2,1-2H3/t15-,17+,19-/m0/s1" ; chebi:inchikey "VPEDYPFQYJVQKE-WDYCEAGBSA-N" ; chebi:mass "467.538" ; chebi:monoisotopicmass "467.17262" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12494" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]methanesulfonamide" . obo:CHEBI_101126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17-,23-/m0/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-QQMNAOGKSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12495" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24+,26+,29-/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-VFSPHUKHSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12496" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27-/m1/s1" ; chebi:inchikey "WBCPGODJHKXDGU-IOKPGSKQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12497" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12497" . obo:CHEBI_101129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C19H29N3O4" ; chebi:inchi "InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16-,17+,18-/m1/s1" ; chebi:inchikey "MKIQWJGRPCGZSV-ZJPYXAASSA-N" ; chebi:mass "363.452" ; chebi:monoisotopicmass "363.21581" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12498" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_10113 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29105 ; owl:deprecated true . obo:CHEBI_101130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-ZACQAIPSSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12499" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H23F3N2O6S" ; chebi:inchi "InChI=1S/C22H23F3N2O6S/c23-22(24,25)12-26-20(29)10-14-9-17-16-8-13(27-34(30,31)15-4-2-1-3-5-15)6-7-18(16)33-21(17)19(11-28)32-14/h1-8,14,17,19,21,27-28H,9-12H2,(H,26,29)/t14-,17-,19-,21+/m1/s1" ; chebi:inchikey "AWBUKOBMSNOSJG-QTRJSKNGSA-N" ; chebi:mass "500.490" ; chebi:monoisotopicmass "500.12289" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12500" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_101132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O7S" ; chebi:inchi "InChI=1S/C22H30N4O7S/c1-14-11-26(34(5,29)30)15(2)13-32-18-7-6-16(24-21(27)19-8-9-23-33-19)10-17(18)22(28)25(3)12-20(14)31-4/h6-10,14-15,20H,11-13H2,1-5H3,(H,24,27)/t14-,15-,20-/m1/s1" ; chebi:inchikey "CRZDWKBDRGRNEI-STXHMFSFSA-N" ; chebi:mass "494.563" ; chebi:monoisotopicmass "494.18352" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12501" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_101133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-UOXSANAJSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12502" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12502" . obo:CHEBI_101134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O3" ; chebi:inchi "InChI=1S/C23H26FN3O3/c1-26-19-11-27-18(10-9-16(23(27)30)13-5-7-14(24)8-6-13)21(26)20(17(19)12-28)22(29)25-15-3-2-4-15/h5-10,15,17,19-21,28H,2-4,11-12H2,1H3,(H,25,29)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "JCKMTOKPWGTWPB-PBASOCQRSA-N" ; chebi:mass "411.470" ; chebi:monoisotopicmass "411.19582" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12503" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12503" . obo:CHEBI_101135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m1/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-JAORTXGNSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12504" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12504" . obo:CHEBI_101136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-TTYHFUOFSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12505" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25-/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-DFIYOIEZSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12506" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24+/m1/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-GGUMNFRJSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12507" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H30N4O4S" ; chebi:inchi "InChI=1S/C25H30N4O4S/c1-15-12-26-16(2)14-33-20-11-17(9-10-18(20)25(31)29(3)13-21(15)32-4)27-23(30)24-28-19-7-5-6-8-22(19)34-24/h5-11,15-16,21,26H,12-14H2,1-4H3,(H,27,30)/t15-,16-,21+/m1/s1" ; chebi:inchikey "HNVRJEXAKGMODG-ZOCZFRKYSA-N" ; chebi:mass "482.597" ; chebi:monoisotopicmass "482.19878" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12508" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_10114 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28783 ; owl:deprecated true . obo:CHEBI_101140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-NROSNUSPSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12509" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25+,31+/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-CNFUJFEGSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12510" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12510" . obo:CHEBI_101142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-YUMYIRISSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12511" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c1-26(2)25(32)22-19(13-29)18-12-27-20(21(18)28(22)23(30)14-7-8-14)10-9-17(24(27)31)15-5-4-6-16(11-15)33-3/h4-6,9-11,14,18-19,21-22,29H,7-8,12-13H2,1-3H3/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "GXOJNSFKOZUWBX-KRXUUXHPSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@H]2N1C(=O)C5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12512" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26+,29+/m1/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-IXLXJOPFSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12513" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-RESCMLIYSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12514" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-DKGMKSHISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12515" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12515" . obo:CHEBI_101147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16-,20+/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-QINHECLXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12516" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20-/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-QRFRQXIXSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12517" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15+,22-/m1/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-ZCCHDVMBSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12518" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33643 ; rdfs:subClassOf obo:CHEBI_35189 . _:b888 rdf:type owl:Restriction . obo:CHEBI_10115 rdfs:subClassOf _:b888 . _:b888 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_583099 . obo:CHEBI_10115 obo:IAO_0000115 "2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1" ; chebi:inchikey "KKOXKGNSUHTUBV-LSDHHAIUSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]1(CC=C(C)C=C1)[C@@H](C)CCC=C(C)C" ; oboInOwl:hasDbXref "Beilstein:2554989" ; oboInOwl:hasDbXref "CAS:495-60-3" ; oboInOwl:hasDbXref "KEGG:C09750" ; oboInOwl:hasDbXref "KNApSAcK:C00003204" ; oboInOwl:hasExactSynonym "(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-alpha-zingiberene" ; oboInOwl:hasRelatedSynonym "(-)-zingiberene" ; oboInOwl:hasRelatedSynonym "(5R)-5-[(1S)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene" ; oboInOwl:hasRelatedSynonym "alpha-Zingiberene" ; oboInOwl:hasRelatedSynonym "alpha-zingiberene" ; oboInOwl:id "CHEBI:10115" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zingiberene" . _:b889 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2554989" ; rdfs:label "Beilstein" . _:b890 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:495-60-3" ; rdfs:label "ChemIDplus" . _:b891 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:495-60-3" ; rdfs:label "KEGG COMPOUND" . _:b892 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b893 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-alpha-zingiberene" ; oboInOwl:hasDbXref "ChEBI" . _:b894 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-zingiberene" ; oboInOwl:hasDbXref "ChEBI" . _:b895 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(5R)-5-[(1S)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene" ; oboInOwl:hasDbXref "ChEBI" . _:b896 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Zingiberene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b897 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-zingiberene" ; oboInOwl:hasDbXref "ChEBI" . _:b898 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10115 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-zingiberene" ; oboInOwl:hasDbXref "UniProt" . obo:CHEBI_101150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H24N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22-,23+/m0/s1" ; chebi:inchikey "POAXSVANNSAIAV-RJGXRXQPSA-N" ; chebi:mass "408.515" ; chebi:monoisotopicmass "408.15076" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12519" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(benzenesulfonyl)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-6-30-28(34)24-17-22-18-32(37(35)29(2,3)4)25(13-14-33)26(22)27(31-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-5/h7-12,15-17,25,33H,6,13-14,18H2,1-5H3,(H,30,34)/t25-,37-/m0/s1" ; chebi:inchikey "YHQIULRSPQCSKT-RSUXDYMJSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12520" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19-/m1/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-JTDSTZFVSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12521" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25-/m1/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-GZGNHOFSSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12522" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_101154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22-,24+/m0/s1" ; chebi:inchikey "RISZPRWRWDPXQV-JKFKMHIGSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12523" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16+,17-/m0/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-BBWFWOEESA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12524" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20+,21+/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-NXXWWENFSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12525" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22-/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-XCGNWRKASA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12526" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14+,15+/m0/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-RRFJBIMHSA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12527" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-YVHKJVDXSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12528" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_10116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24897 ; chebi:charge "0" ; chebi:formula "C15H19NO3" ; chebi:inchi "InChI=1S/C15H19NO3/c1-9(2)5-6-19-13-7-11-12(8-16-15(11)17)14(18-4)10(13)3/h5,7H,6,8H2,1-4H3,(H,16,17)" ; chebi:inchikey "DSOITGJEUKHAJN-UHFFFAOYSA-N" ; chebi:mass "261.317" ; chebi:monoisotopicmass "261.13649" ; chebi:smiles "COc1c2CNC(=O)c2cc(OCC=C(C)C)c1C" ; oboInOwl:hasDbXref "CAS:148717-77-5" ; oboInOwl:hasDbXref "KEGG:C10626" ; oboInOwl:hasDbXref "KNApSAcK:C00002370" ; oboInOwl:hasExactSynonym "Zinnimidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinnimidine" . _:b899 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10116 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:148717-77-5" ; rdfs:label "KEGG COMPOUND" . _:b900 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10116 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zinnimidine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-IHMNZUQTSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12529" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20+/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-AABGKKOBSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12530" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m0/s1" ; chebi:inchikey "VHVNEVJWYRMESY-FYQCMVGJSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12531" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12531" . obo:CHEBI_101163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19+,20+/m0/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-XUVXKRRUSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12532" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23-,25-/m0/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-RSEQLOHWSA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12533" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-QQMNAOGKSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12534" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23+/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-YZZKKUAISA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12535" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H35N3O3" ; chebi:inchi "InChI=1S/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "JLGYBICAMNQLPS-CJTFWIGWSA-N" ; chebi:mass "437.575" ; chebi:monoisotopicmass "437.26784" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]3N2CC6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12536" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22+,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-UUTHAWMKSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12537" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19FN2O3S" ; chebi:inchi "InChI=1S/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/t18-,19-,20-/m1/s1" ; chebi:inchikey "CRECGCTYSBAAAJ-VAMGGRTRSA-N" ; chebi:mass "386.442" ; chebi:monoisotopicmass "386.11004" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=CC(=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12538" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12538" . obo:CHEBI_10117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C15H22O4" ; chebi:inchi "InChI=1S/C15H22O4/c1-10(2)5-6-19-14-7-12(8-16)13(9-17)15(18-4)11(14)3/h5,7,16-17H,6,8-9H2,1-4H3" ; chebi:inchikey "DUMQPTRUYCCSEZ-UHFFFAOYSA-N" ; chebi:mass "266.333" ; chebi:monoisotopicmass "266.15181" ; chebi:smiles "COc1c(C)c(OCC=C(C)C)cc(CO)c1CO" ; oboInOwl:hasDbXref "CAS:17811-28-8" ; oboInOwl:hasDbXref "KEGG:C10840" ; oboInOwl:hasDbXref "KNApSAcK:C00002684" ; oboInOwl:hasExactSynonym "Zinniol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinniol" . _:b901 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10117 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:17811-28-8" ; rdfs:label "KEGG COMPOUND" . _:b902 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10117 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zinniol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O5S" ; chebi:inchi "InChI=1S/C23H34N4O5S/c1-31-21-9-5-6-10-23(21)33(29,30)25-19-12-11-18(32-22(19)16-28)13-14-27-15-20(24-26-27)17-7-3-2-4-8-17/h5-6,9-10,15,17-19,22,25,28H,2-4,7-8,11-14,16H2,1H3/t18-,19-,22-/m1/s1" ; chebi:inchikey "HBWIVVUPODMQBV-WOIUINJBSA-N" ; chebi:mass "478.607" ; chebi:monoisotopicmass "478.22499" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12539" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide" . obo:CHEBI_101171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "FDINZZIDFRBVPX-RZQQEMMASA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12540" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28+/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-XJGOYTCSSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12541" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_101173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b903 rdf:type owl:Restriction . obo:CHEBI_101173 rdfs:subClassOf _:b903 . _:b903 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101173 chebi:charge "0" ; chebi:formula "C19H19F2N3O3" ; chebi:inchi "InChI=1S/C19H19F2N3O3/c20-11-4-10(5-12(21)6-11)7-22-19(27)17-13(9-25)14-8-24-15(18(17)23-14)2-1-3-16(24)26/h1-6,13-14,17-18,23,25H,7-9H2,(H,22,27)/t13-,14-,17+,18+/m0/s1" ; chebi:inchikey "ZFBXTHNADMEDJT-LBTBCDHLSA-N" ; chebi:mass "375.370" ; chebi:monoisotopicmass "375.13945" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2)C3=CC=CC(=O)N31)C(=O)NCC4=CC(=CC(=C4)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12542" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12542" . obo:CHEBI_101174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22+/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-MCFFVMPBSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12543" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24-/m1/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-KHCICDEESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12544" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m0/s1" ; chebi:inchikey "PLPDORRRKBPITR-SEGPTPNXSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12545" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-FHAGJXEFSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12546" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23-/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-WWNPGLIZSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12547" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_101179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13+/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-ZWKOPEQDSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasDbXref "LINCS:LSM-12548" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_10118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38831 ; chebi:charge "0" ; chebi:formula "C15H18O5" ; chebi:inchi "InChI=1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3" ; chebi:inchikey "CYYPEFYKFZTPFE-UHFFFAOYSA-N" ; chebi:mass "278.301" ; chebi:monoisotopicmass "278.11542" ; chebi:smiles "COc1c2C(O)OC(=O)c2cc(OCC=C(C)C)c1C" ; oboInOwl:hasDbXref "CAS:99257-12-2" ; oboInOwl:hasDbXref "KEGG:C09983" ; oboInOwl:hasDbXref "KNApSAcK:C00003026" ; oboInOwl:hasExactSynonym "Zinnolide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zinnolide" . _:b904 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10118 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:99257-12-2" ; rdfs:label "KEGG COMPOUND" . _:b905 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10118 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zinnolide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15+,16+/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-PMPSAXMXSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12549" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_101181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-GLDPYIMESA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12550" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18+,19-/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-CEXWTWQISA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12551" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22+,23-/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-DWQJTFDBSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12552" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-NEWSRXKRSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12553" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_101185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-YVHKJVDXSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12554" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30-/m1/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-BOYVUMAVSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12555" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23+,25-/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-PFJUQGFLSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12556" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-JRRLLMCYSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12557" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12557" . obo:CHEBI_101189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H22N2O3" ; chebi:inchi "InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21-,23+/m0/s1" ; chebi:inchikey "VFHDDKSZNLSDOB-QNWVGRARSA-N" ; chebi:mass "386.444" ; chebi:monoisotopicmass "386.16304" ; chebi:smiles "COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12558" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24829 ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_36683 ; rdfs:subClassOf obo:CHEBI_55505 . _:b906 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b906 . _:b906 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35471 . _:b907 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b907 . _:b907 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35476 . _:b908 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b908 . _:b908 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_37956 . _:b909 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b909 . _:b909 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48279 . _:b910 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b910 . _:b910 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48561 . _:b911 rdf:type owl:Restriction . obo:CHEBI_10119 rdfs:subClassOf _:b911 . _:b911 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48876 . obo:CHEBI_10119 obo:IAO_0000115 "A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms." ; chebi:charge "0" ; chebi:formula "C21H21ClN4OS" ; chebi:inchi "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)" ; chebi:inchikey "MVWVFYHBGMAFLY-UHFFFAOYSA-N" ; chebi:mass "412.93600" ; chebi:monoisotopicmass "412.11246" ; chebi:smiles "Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12" ; oboInOwl:hasDbXref "Beilstein:6669199" ; oboInOwl:hasDbXref "CAS:146939-27-7" ; oboInOwl:hasDbXref "DrugBank:DB00246" ; oboInOwl:hasDbXref "Drug_Central:2865" ; oboInOwl:hasDbXref "KEGG:C07568" ; oboInOwl:hasDbXref "KEGG:D08687" ; oboInOwl:hasDbXref "LINCS:LSM-5433" ; oboInOwl:hasDbXref "Patent:EP281309" ; oboInOwl:hasDbXref "Patent:US4831031" ; oboInOwl:hasDbXref "Wikipedia:Ziprasidone" ; oboInOwl:hasExactSynonym "5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one" ; oboInOwl:hasExactSynonym "Ziprasidone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "ziprasidona" ; oboInOwl:hasRelatedSynonym "ziprasidone" ; oboInOwl:hasRelatedSynonym "ziprasidonum" ; oboInOwl:id "CHEBI:10119" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "ziprasidone" . _:b912 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:6669199" ; rdfs:label "Beilstein" . _:b913 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146939-27-7" ; rdfs:label "ChemIDplus" . _:b914 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146939-27-7" ; rdfs:label "DrugBank" . _:b915 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:146939-27-7" ; rdfs:label "KEGG DRUG" . _:b916 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2865" ; rdfs:label "DrugCentral" . _:b917 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b918 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Ziprasidone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b919 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ziprasidona" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . _:b920 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ziprasidone" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . _:b921 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ziprasidone" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b922 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10119 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ziprasidonum" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21-/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-JBACZVJFSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12559" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25-,27+/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-WHTZKJIOSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-12560" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-JXQFQVJHSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12561" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_101193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27FN2O4" ; chebi:inchi "InChI=1S/C23H27FN2O4/c1-26(2)16-6-7-20-18(9-16)19-10-17(29-21(13-27)23(19)30-20)11-22(28)25-12-14-4-3-5-15(24)8-14/h3-9,17,19,21,23,27H,10-13H2,1-2H3,(H,25,28)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "WXYXTVXIMWIJFY-YZBYQZESSA-N" ; chebi:mass "414.471" ; chebi:monoisotopicmass "414.19549" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12562" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IEGUWTFLSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12563" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_101195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37F3N4O4" ; chebi:inchi "InChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17+,21+/m0/s1" ; chebi:inchikey "VNTQRTFIXZLISU-CSODHUTKSA-N" ; chebi:mass "502.571" ; chebi:monoisotopicmass "502.27669" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CCC(F)(F)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12564" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-YXOQKGKWSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12565" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C35H32N2O8" ; chebi:inchi "InChI=1S/C35H32N2O8/c38-19-32-34-28(27-15-23(9-13-29(27)45-34)37-35(40)22-8-12-30-31(14-22)42-20-41-30)16-26(44-32)17-33(39)36-18-21-6-10-25(11-7-21)43-24-4-2-1-3-5-24/h1-15,26,28,32,34,38H,16-20H2,(H,36,39)(H,37,40)/t26-,28-,32+,34+/m0/s1" ; chebi:inchikey "HZYAIKCNCGBDKG-WDLXLEKTSA-N" ; chebi:mass "608.639" ; chebi:monoisotopicmass "608.21587" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=C(C=C6)OC7=CC=CC=C7" ; oboInOwl:hasDbXref "LINCS:LSM-12566" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24+/m0/s1" ; chebi:inchikey "UEJLJRRJJUOYFY-KMDXXIMOSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)NC4CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12567" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_101199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22-/m0/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-JKSBSHDWSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12568" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_1012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26388 ; chebi:charge "0" ; chebi:formula "C10H15N6O6P" ; chebi:inchi "InChI=1S/C10H15N6O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1" ; chebi:inchikey "WCNLOVDQFDDWLB-QYYRPYCUSA-N" ; chebi:mass "346.237" ; chebi:monoisotopicmass "346.07907" ; chebi:smiles "N[C@@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]1n1cnc2c(N)ncnc12" ; oboInOwl:hasDbXref "KEGG:C01655" ; oboInOwl:hasExactSynonym "2-AminoAMP" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-AminoAMP" . _:b923 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1012 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-AminoAMP" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_10120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61778 ; chebi:charge "0" ; chebi:formula "C51H80O18" ; chebi:inchi "InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30-,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,47-,48+,49-,50-,51-/m0/s1" ; chebi:inchikey "SPFBVQWRJFUDBB-FYBFSNJASA-N" ; chebi:mass "981.172" ; chebi:monoisotopicmass "980.53447" ; chebi:smiles "C[C@@H]1O[C@@H](O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]6[C@]7(C[C@@]54CO7)O[C@H](C[C@]6(C)O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4OC(C)=O)C=C(C)C)C3(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O" ; oboInOwl:hasDbXref "CAS:73667-51-3" ; oboInOwl:hasDbXref "KEGG:C08991" ; oboInOwl:hasDbXref "KNApSAcK:C00003561" ; oboInOwl:hasExactSynonym "Ziziphin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Ziziphin" . _:b924 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10120 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:73667-51-3" ; rdfs:label "KEGG COMPOUND" . _:b925 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10120 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Ziziphin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IXFSTUDKSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12569" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_101201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,21-,24-/m1/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-QCHQBCSNSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12570" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21-,23+,24-/m0/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-SJROBZAFSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12571" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-SLFFLAALSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12572" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17-,19+/m0/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-VDZJLULYSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12573" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-YXOQKGKWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12574" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-GLDPYIMESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12575" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H40N4O4S" ; chebi:inchi "InChI=1S/C33H40N4O4S/c1-33(2,3)42(41)37-20-25-19-27(31(39)34-26-10-7-11-26)35-30(29(25)28(37)16-17-38)24-9-6-8-23(18-24)21-12-14-22(15-13-21)32(40)36(4)5/h6,8-9,12-15,18-19,26,28,38H,7,10-11,16-17,20H2,1-5H3,(H,34,39)/t28-,42-/m0/s1" ; chebi:inchikey "XRIKJANOQKUWJP-PJVIOAIDSA-N" ; chebi:mass "588.762" ; chebi:monoisotopicmass "588.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12576" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26-/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-TWJOJJKGSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12577" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28-,31+/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-GMOQGOKBSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12578" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_10121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23449 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-8-20(3)27(35-31(40)28(36(5)6)21(4)9-2)32(41)38-18-15-25-29(38)33(42)37-17-10-11-24(37)30(39)34-16-14-22-12-13-23(44-25)19-26(22)43-7/h12-14,16,19-21,24-25,27-29H,8-11,15,17-18H2,1-7H3,(H,34,39)(H,35,40)/b16-14-/t20-,21-,24-,25-,27-,28-,29-/m0/s1" ; chebi:inchikey "NXCUAFMNFVTKHA-YEEQOOFQSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(\\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)c(OC)c3" ; oboInOwl:hasDbXref "CAS:51059-42-8" ; oboInOwl:hasDbXref "KEGG:C10015" ; oboInOwl:hasDbXref "KNApSAcK:C00002010" ; oboInOwl:hasExactSynonym "Zizyphine A" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zizyphine A" . _:b926 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10121 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:51059-42-8" ; rdfs:label "KEGG COMPOUND" . _:b927 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10121 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zizyphine A" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18-,24+/m0/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-LLJLJFOGSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12579" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25-,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-NZAHZBTPSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12580" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-NXOAAHMSSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12581" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30+/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-ZQTJCAEQSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12582" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20+,22+/m0/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-CZTZKLFOSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12583" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_101215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m1/s1" ; chebi:inchikey "CCIDSNZUNACLPU-ASASOQJESA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12584" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3S" ; chebi:inchi "InChI=1S/C23H22N2O3S/c1-16-4-2-3-5-22(16)29(27,28)25-20(14-24)23(21(25)15-26)19-12-10-18(11-13-19)9-8-17-6-7-17/h2-5,10-13,17,20-21,23,26H,6-7,15H2,1H3/t20-,21+,23-/m0/s1" ; chebi:inchikey "WYRXOKNMJBDANC-XJUOHMSHSA-N" ; chebi:mass "406.499" ; chebi:monoisotopicmass "406.13511" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12585" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18+,19-/m0/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-UHOSZYNNSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12586" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_101218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-GGUMNFRJSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12587" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O4" ; chebi:inchi "InChI=1S/C24H38N4O4/c1-16-13-25-17(2)15-32-21-12-19(27-24(30)26-18-8-6-5-7-9-18)10-11-20(21)23(29)28(3)14-22(16)31-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H2,26,27,30)/t16-,17-,22-/m1/s1" ; chebi:inchikey "IWXLMTPNFQAQHO-DRSNIGMVSA-N" ; chebi:mass "446.584" ; chebi:monoisotopicmass "446.28931" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12588" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23449 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-11-12-22(43-25)18-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/b15-13-/t19-,20-,23-,25-,26-,27-,28-/m0/s1" ; chebi:inchikey "BRUITOXHBSVJME-IIMYRAIISA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CC[C@@H]2Oc3ccc(\\C=C/NC(=O)[C@@H]4CCCN4C(=O)[C@@H]12)c(O)c3" ; oboInOwl:hasDbXref "CAS:55839-64-0" ; oboInOwl:hasDbXref "KEGG:C10016" ; oboInOwl:hasDbXref "KNApSAcK:C00002011" ; oboInOwl:hasExactSynonym "Zizyphine F" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zizyphine F" . _:b928 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10122 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:55839-64-0" ; rdfs:label "KEGG COMPOUND" . _:b929 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10122 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zizyphine F" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H25F2N3O3" ; chebi:inchi "InChI=1S/C23H25F2N3O3/c24-14-7-8-17(25)13(9-14)10-28-19-11-27-18(5-2-6-20(27)30)22(28)21(16(19)12-29)23(31)26-15-3-1-4-15/h2,5-9,15-16,19,21-22,29H,1,3-4,10-12H2,(H,26,31)/t16-,19-,21+,22+/m0/s1" ; chebi:inchikey "GICHBVCHVQBVRX-NTSGDEEZSA-N" ; chebi:mass "429.461" ; chebi:monoisotopicmass "429.18640" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=C(C=CC(=C5)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12589" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12589" . obo:CHEBI_101221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21-/m1/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-LVCYWYKZSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12590" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_101222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O7S" ; chebi:inchi "InChI=1S/C26H32N2O7S/c1-33-18-6-5-7-20(13-18)36(31,32)27-17-8-9-23-21(12-17)22-14-19(34-24(16-29)26(22)35-23)15-25(30)28-10-3-2-4-11-28/h5-9,12-13,19,22,24,26-27,29H,2-4,10-11,14-16H2,1H3/t19-,22+,24-,26-/m1/s1" ; chebi:inchikey "RXCSFWYPJHKPEM-OLTCJGHMSA-N" ; chebi:mass "516.609" ; chebi:monoisotopicmass "516.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12591" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101223 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_9334 ; owl:deprecated true . obo:CHEBI_101224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25697 ; rdfs:subClassOf obo:CHEBI_35274 . _:b930 rdf:type owl:Restriction . obo:CHEBI_101224 rdfs:subClassOf _:b930 . _:b930 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_101064 . obo:CHEBI_101224 obo:IAO_0000115 "An organic cation obtained by protonation of the tertiary amino group of Ro 48-8071." ; chebi:charge "+1" ; chebi:formula "C23H28BrFNO2" ; chebi:inchi "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1" ; chebi:inchikey "CMYCCJYVZIMDFU-UHFFFAOYSA-O" ; chebi:mass "449.377" ; chebi:monoisotopicmass "448.12820" ; chebi:smiles "C(=O)(C1=CC=C(C=C1F)OCCCCCC[NH+](CC=C)C)C=2C=CC(=CC2)Br" ; oboInOwl:hasExactSynonym "6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Ro 48-8071 cation" ; oboInOwl:id "CHEBI:101224" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "Ro 48-8071(1+)" . _:b931 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101224 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b932 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101224 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Ro 48-8071 cation" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19-,23+/m0/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-SFYKDHMMSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12593" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_101226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17+,24-/m0/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-SRGWNRLKSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12594" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6S,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_101227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22+,24+,26+,28-/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-BEYJYYPNSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12595" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22-,29-/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-SYZUXVNWSA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12596" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12596" . obo:CHEBI_101229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17-/m0/s1" ; chebi:inchikey "VHNINRJVEBHVBF-ULQDDVLXSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12597" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_10123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C20H34O4" ; chebi:inchi "InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1" ; chebi:inchikey "XRDHAXIOHKTIGF-JECBFZOVSA-N" ; chebi:mass "338.482" ; chebi:monoisotopicmass "338.24571" ; chebi:smiles "C[C@H](CCC[C@]1(C)OC\\C(CC[C@H]1O)=C\\CO)C(=O)CC=C(C)C" ; oboInOwl:hasDbXref "CAS:71117-51-6" ; oboInOwl:hasDbXref "KEGG:C09205" ; oboInOwl:hasDbXref "KNApSAcK:C00003495" ; oboInOwl:hasExactSynonym "Zoapatanol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zoapatanol" . _:b933 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10123 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:71117-51-6" ; rdfs:label "KEGG COMPOUND" . _:b934 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10123 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zoapatanol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24-/m1/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-NXMSCROESA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12598" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25-,27+,29+/m0/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-RMBZFECLSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-12599" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_101232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16-/m1/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-OWCLPIDISA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12600" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17+,20+/m0/s1" ; chebi:inchikey "RULZJLKRRRCHIA-SQGPQFPESA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12601" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17-,19-/m1/s1" ; chebi:inchikey "LUVVHBIYDBULDN-SZVBFZGTSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12602" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17-,23-/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-QQMNAOGKSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12603" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17-,21+/m0/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-XGHQBKJUSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12604" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6S,9S)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22-,25+/m1/s1" ; chebi:inchikey "HNAQDDNENYJUKU-GFMPLVLUSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12605" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22-,24-,26+/m0/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-IFPZXYOKSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12606" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N3O6" ; chebi:inchi "InChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-8-9-22-19(10-17)20-11-18(34-23(15-30)26(20)35-22)12-24(31)27-13-16-6-4-5-7-21(16)33-3/h4-10,18,20,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t18-,20-,23-,26+/m0/s1" ; chebi:inchikey "YCZDHCVCWSKGTE-AHNRGXKQSA-N" ; chebi:mass "483.558" ; chebi:monoisotopicmass "483.23694" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-12607" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_10124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27162 ; rdfs:subClassOf obo:CHEBI_55374 . _:b935 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b935 . _:b935 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35472 . _:b936 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b936 . _:b936 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35941 . _:b937 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b937 . _:b937 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50514 . _:b938 rdf:type owl:Restriction . obo:CHEBI_10124 rdfs:subClassOf _:b938 . _:b938 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_28969 . obo:CHEBI_10124 obo:IAO_0000115 "A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine." ; chebi:charge "0" ; chebi:formula "C16H21N3O2" ; chebi:inchi "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1" ; chebi:inchikey "ULSDMUVEXKOYBU-ZDUSSCGKSA-N" ; chebi:mass "287.357" ; chebi:monoisotopicmass "287.16338" ; chebi:smiles "C1=C2C(=CNC2=CC=C1C[C@@H]3NC(=O)OC3)CCN(C)C" ; oboInOwl:hasDbXref "Beilstein:7415010" ; oboInOwl:hasDbXref "CAS:139264-17-8" ; oboInOwl:hasDbXref "DrugBank:DB00315" ; oboInOwl:hasDbXref "Drug_Central:2869" ; oboInOwl:hasDbXref "KEGG:C07218" ; oboInOwl:hasDbXref "KEGG:D00415" ; oboInOwl:hasDbXref "LINCS:LSM-3208" ; oboInOwl:hasDbXref "Wikipedia:Zolmitriptan" ; oboInOwl:hasExactSynonym "(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "311C90" ; oboInOwl:hasRelatedSynonym "4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one" ; oboInOwl:hasRelatedSynonym "Zipton" ; oboInOwl:hasRelatedSynonym "Zomig" ; oboInOwl:hasRelatedSynonym "Zomigoro" ; oboInOwl:hasRelatedSynonym "Zominat" ; oboInOwl:hasRelatedSynonym "zolmitriptan" ; oboInOwl:hasRelatedSynonym "zolmitriptanum" ; oboInOwl:id "CHEBI:10124" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolmitriptan" . _:b939 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:7415010" ; rdfs:label "Beilstein" . _:b940 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:139264-17-8" ; rdfs:label "ChemIDplus" . _:b941 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:139264-17-8" ; rdfs:label "KEGG COMPOUND" . _:b942 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2869" ; rdfs:label "DrugCentral" . _:b943 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b944 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "311C90" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b945 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one" ; oboInOwl:hasDbXref "IUPHAR" . _:b946 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zipton" ; oboInOwl:hasDbXref "DrugCentral" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b947 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zomig" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b948 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zomigoro" ; oboInOwl:hasDbXref "DrugCentral" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b949 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zominat" ; oboInOwl:hasDbXref "DrugCentral" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b950 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zolmitriptan" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . _:b951 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zolmitriptan" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b952 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10124 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zolmitriptanum" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19-,21+/m1/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-VMRPVKRXSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12608" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H26F5N3O5" ; chebi:inchi "InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22-,25-,27+/m1/s1" ; chebi:inchikey "ZUHKGHKDCFDVCR-GKYRZQBGSA-N" ; chebi:mass "591.527" ; chebi:monoisotopicmass "591.17926" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12609" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N5O6" ; chebi:inchi "InChI=1S/C25H33N5O6/c1-16-12-30(23(31)15-34-4)17(2)14-36-21-10-18(28-24(32)20-11-26-8-9-27-20)6-7-19(21)25(33)29(3)13-22(16)35-5/h6-11,16-17,22H,12-15H2,1-5H3,(H,28,32)/t16-,17+,22+/m1/s1" ; chebi:inchikey "CTEQLXWVFDYWAW-JLHGSKIFSA-N" ; chebi:mass "499.560" ; chebi:monoisotopicmass "499.24308" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12610" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H23N3O3" ; chebi:inchi "InChI=1S/C25H23N3O3/c1-31-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22(15-26)28(23(25)16-29)24(30)13-17-9-11-27-12-10-17/h2-12,14,22-23,25,29H,13,16H2,1H3/t22-,23-,25-/m0/s1" ; chebi:inchikey "QYAAHEQVWPVPBC-LSQMVHIFSA-N" ; chebi:mass "413.469" ; chebi:monoisotopicmass "413.17394" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12611" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-3-[4-(3-methoxyphenyl)phenyl]-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10-,11+/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-XWLWVQCSSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-12612" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19+,25-/m0/s1" ; chebi:inchikey "WQZORWGHLUMPIH-CEYNDMKZSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12613" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22-/m0/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-VCOUNFBDSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12614" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_101247 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m1/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-NWSQWKLXSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-12615" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101247" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21-,23+/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-QNWVGRARSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12616" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-UKHYVGRKSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12617" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46908 . _:b953 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b953 . _:b953 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35488 . _:b954 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b954 . _:b954 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b955 rdf:type owl:Restriction . obo:CHEBI_10125 rdfs:subClassOf _:b955 . _:b955 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_51373 . obo:CHEBI_10125 obo:IAO_0000115 "An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position." ; chebi:charge "0" ; chebi:formula "C19H21N3O" ; chebi:inchi "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" ; chebi:inchikey "ZAFYATHCZYHLPB-UHFFFAOYSA-N" ; chebi:mass "307.38950" ; chebi:monoisotopicmass "307.16846" ; chebi:smiles "CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1" ; oboInOwl:hasDbXref "Beilstein:4355785" ; oboInOwl:hasDbXref "CAS:82626-48-0" ; oboInOwl:hasDbXref "DrugBank:DB00425" ; oboInOwl:hasDbXref "Drug_Central:2870" ; oboInOwl:hasDbXref "KEGG:C07219" ; oboInOwl:hasDbXref "KEGG:D08690" ; oboInOwl:hasDbXref "LINCS:LSM-5560" ; oboInOwl:hasDbXref "Patent:EP50563" ; oboInOwl:hasDbXref "Patent:US4382938" ; oboInOwl:hasDbXref "Wikipedia:Zolpidem" ; oboInOwl:hasExactSynonym "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N,N,6-Trimethyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine-3-acetamide" ; oboInOwl:hasRelatedSynonym "zolpidem" ; oboInOwl:hasRelatedSynonym "zolpidemum" ; oboInOwl:id "CHEBI:10125" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolpidem" . _:b956 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:4355785" ; rdfs:label "Beilstein" . _:b957 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82626-48-0" ; rdfs:label "ChemIDplus" . _:b958 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82626-48-0" ; rdfs:label "DrugBank" . _:b959 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82626-48-0" ; rdfs:label "KEGG COMPOUND" . _:b960 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82626-48-0" ; rdfs:label "KEGG DRUG" . _:b961 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:82626-48-0" ; rdfs:label "NIST Chemistry WebBook" . _:b962 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2870" ; rdfs:label "DrugCentral" . _:b963 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b964 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N,N,6-Trimethyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine-3-acetamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b965 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zolpidem" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b966 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10125 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zolpidemum" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18+,22-/m0/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-SVMVAKDDSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12618" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-YXOQKGKWSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12619" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21+,25+,27-/m0/s1" ; chebi:inchikey "MOISLORHFJLABX-UTMJBXDJSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12620" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16+,17-/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-IXDOHACOSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12621" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20-,21-/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-JBACZVJFSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12622" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-TWMKSMIVSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12623" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_101256 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28794 ; owl:deprecated true . obo:CHEBI_101257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_21644 ; rdfs:subClassOf obo:CHEBI_22702 ; rdfs:subClassOf obo:CHEBI_24780 ; rdfs:subClassOf obo:CHEBI_25018 ; rdfs:subClassOf obo:CHEBI_25477 ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_50995 ; rdfs:subClassOf obo:CHEBI_64459 . _:b967 rdf:type owl:Restriction . obo:CHEBI_101257 rdfs:subClassOf _:b967 . _:b967 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67267 . _:b968 rdf:type owl:Restriction . obo:CHEBI_101257 rdfs:subClassOf _:b968 . _:b968 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_101333 . obo:CHEBI_101257 obo:IAO_0000115 "An N-acyl-L-amino acid obtained by condensation of the carboxy group of 4-{[(imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoic acid with the amino group of L-leucine. An inhibitor of geranylgeranyltransferase type I." ; chebi:charge "0" ; chebi:formula "C27H28N4O3" ; chebi:inchi "InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/t25-/m0/s1" ; chebi:inchikey "ODTFPKNIFYMEHP-VWLOTQADSA-N" ; chebi:mass "456.537" ; chebi:monoisotopicmass "456.21614" ; chebi:smiles "C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)NCC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasDbXref "PMID:23335799" ; oboInOwl:hasDbXref "PMID:23415632" ; oboInOwl:hasDbXref "PMID:23649168" ; oboInOwl:hasDbXref "PMID:23744643" ; oboInOwl:hasDbXref "PMID:24486886" ; oboInOwl:hasDbXref "PMID:25882623" ; oboInOwl:hasDbXref "Reaxys:25113814" ; oboInOwl:hasExactSynonym "N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "GGTI 2133 free base" ; oboInOwl:id "CHEBI:101257" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133 free base" . _:b969 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23335799" ; rdfs:label "Europe PMC" . _:b970 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23415632" ; rdfs:label "Europe PMC" . _:b971 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23649168" ; rdfs:label "Europe PMC" . _:b972 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23744643" ; rdfs:label "Europe PMC" . _:b973 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24486886" ; rdfs:label "Europe PMC" . _:b974 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25882623" ; rdfs:label "Europe PMC" . _:b975 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:25113814" ; rdfs:label "Reaxys" . _:b976 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b977 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101257 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "GGTI 2133 free base" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18-/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-HBUWYVDXSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12625" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-VQHPVUNQSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12626" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_10126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50562 . _:b978 rdf:type owl:Restriction . obo:CHEBI_10126 rdfs:subClassOf _:b978 . _:b978 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_10125 . obo:CHEBI_10126 obo:IAO_0000115 "The hemitartrate salt of zolpidem." ; chebi:charge "0" ; chebi:formula "2C19H21N3O.C4H6O6" ; chebi:formula "C42H48N6O8" ; chebi:inchi "InChI=1S/2C19H21N3O.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1" ; chebi:inchikey "VXRDAMSNTXUHFX-CEAXSRTFSA-N" ; chebi:mass "764.86590" ; chebi:monoisotopicmass "764.35336" ; chebi:smiles "O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1.CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1" ; oboInOwl:hasDbXref "Beilstein:10317975" ; oboInOwl:hasDbXref "CAS:99294-93-6" ; oboInOwl:hasDbXref "DrugBank:DB00425" ; oboInOwl:hasDbXref "KEGG:D00706" ; oboInOwl:hasExactSynonym "bis{N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide} (2R,3R)-2,3-dihydroxysuccinic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N,N,6-Trimethyl-2-p-tolylimidazo(1,2-a)pyridine-3-acetamide L-(+)-tartrate (2:1)" ; oboInOwl:hasRelatedSynonym "Zolpidem L-(+)-hemitartrate" ; oboInOwl:hasRelatedSynonym "Zolpidem hemitartrate" ; oboInOwl:id "CHEBI:10126" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zolpidem tartrate" . _:b979 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:10317975" ; rdfs:label "Beilstein" . _:b980 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:99294-93-6" ; rdfs:label "ChemIDplus" . _:b981 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:99294-93-6" ; rdfs:label "KEGG DRUG" . _:b982 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "bis{N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide} (2R,3R)-2,3-dihydroxysuccinic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b983 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N,N,6-Trimethyl-2-p-tolylimidazo(1,2-a)pyridine-3-acetamide L-(+)-tartrate (2:1)" ; oboInOwl:hasDbXref "ChemIDplus" . _:b984 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zolpidem L-(+)-hemitartrate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b985 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10126 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Zolpidem hemitartrate" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_101260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-MANSERQUSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12627" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m0/s1" ; chebi:inchikey "XPPDMEIYHITZLE-JNGYJVBXSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12628" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22+/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-VVBPWWLESA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12629" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H25FN2O5" ; chebi:inchi "InChI=1S/C26H25FN2O5/c1-34-17-7-4-6-15(11-17)18-9-10-21-24-23(26(32)33)19(14-30)22(13-29(21)25(18)31)28(24)12-16-5-2-3-8-20(16)27/h2-11,19,22-24,30H,12-14H2,1H3,(H,32,33)/t19-,22-,23+,24+/m1/s1" ; chebi:inchikey "MDNKBVDDURCBLA-JFTIXFDTSA-N" ; chebi:mass "464.486" ; chebi:monoisotopicmass "464.17475" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12630" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12630" . obo:CHEBI_101264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-27(2,3)34(33)30-17-21-16-22(26(32)29(4)5)28-25(24(21)23(30)13-14-31)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,6-7,10,13-14,17H2,1-5H3/t23-,34-/m0/s1" ; chebi:inchikey "PGDAOJJPUPXGSS-HUBRWUETSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12631" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11+,13-,15-/m1/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-VDYMJLGFSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasDbXref "LINCS:LSM-12632" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101265" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15+,16-/m1/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-OWCLPIDISA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12633" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101266" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_101267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25+/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-ZYLNGJIFSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12634" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O6" ; chebi:inchi "InChI=1S/C27H36N4O6/c1-18-14-31(26(33)11-20-7-6-10-28-13-20)19(2)16-37-23-9-8-21(29-25(32)17-35-4)12-22(23)27(34)30(3)15-24(18)36-5/h6-10,12-13,18-19,24H,11,14-17H2,1-5H3,(H,29,32)/t18-,19+,24+/m0/s1" ; chebi:inchikey "JHQFRDYLQMIJCM-XLNZFTOWSA-N" ; chebi:mass "512.599" ; chebi:monoisotopicmass "512.26348" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12635" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24+/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-NHTMILBNSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12636" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12636" . obo:CHEBI_10127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_51545 . _:b986 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b986 . _:b986 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b987 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b987 . _:b987 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35470 . _:b988 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b988 . _:b988 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b989 rdf:type owl:Restriction . obo:CHEBI_10127 rdfs:subClassOf _:b989 . _:b989 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50267 . obo:CHEBI_10127 obo:IAO_0000115 "A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position." ; chebi:charge "0" ; chebi:formula "C8H8N2O3S" ; chebi:inchi "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)" ; chebi:inchikey "UBQNRHZMVUUOMG-UHFFFAOYSA-N" ; chebi:mass "212.22600" ; chebi:monoisotopicmass "212.02556" ; chebi:smiles "NS(=O)(=O)Cc1noc2ccccc12" ; oboInOwl:hasAlternativeId "CHEBI:139857" ; oboInOwl:hasDbXref "Beilstein:1077076" ; oboInOwl:hasDbXref "CAS:68291-97-4" ; oboInOwl:hasDbXref "DrugBank:DB00909" ; oboInOwl:hasDbXref "Drug_Central:2872" ; oboInOwl:hasDbXref "KEGG:C07504" ; oboInOwl:hasDbXref "KEGG:D00538" ; oboInOwl:hasDbXref "LINCS:LSM-3062" ; oboInOwl:hasDbXref "Patent:JP7877057" ; oboInOwl:hasDbXref "Patent:US4172896" ; oboInOwl:hasDbXref "Wikipedia:Zonisamide" ; oboInOwl:hasExactSynonym "1-(1,2-benzisoxazol-3-yl)methanesulfonamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,2-Benzisoxazole-3-methanesulfonamide" ; oboInOwl:hasRelatedSynonym "3-(Sulfamoylmethyl)-1,2-benzisoxazole" ; oboInOwl:hasRelatedSynonym "Benzo[d]isoxazol-3-yl-methanesulfonamide" ; oboInOwl:hasRelatedSynonym "zonisamida" ; oboInOwl:hasRelatedSynonym "zonisamide" ; oboInOwl:hasRelatedSynonym "zonisamidum" ; oboInOwl:id "CHEBI:10127" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "zonisamide" . _:b990 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Benzo[d]isoxazol-3-yl-methanesulfonamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b991 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zonisamida" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:INN . _:b992 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zonisamide" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b993 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "zonisamidum" ; oboInOwl:hasDbXref "DrugBank" ; oboInOwl:hasSynonymType chebi2:INN . _:b994 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1077076" ; rdfs:label "Beilstein" . _:b995 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:68291-97-4" ; rdfs:label "ChemIDplus" . _:b996 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:68291-97-4" ; rdfs:label "DrugBank" . _:b997 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:68291-97-4" ; rdfs:label "KEGG COMPOUND" . _:b998 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:68291-97-4" ; rdfs:label "KEGG DRUG" . _:b999 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2872" ; rdfs:label "DrugCentral" . _:b1000 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-(1,2-benzisoxazol-3-yl)methanesulfonamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1001 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,2-Benzisoxazole-3-methanesulfonamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1002 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10127 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-(Sulfamoylmethyl)-1,2-benzisoxazole" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_101270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H31N5O4" ; chebi:inchi "InChI=1S/C25H31N5O4/c1-28(2)13-21(32)30-20-12-29-19(9-8-17(25(29)34)15-5-4-10-26-11-15)23(30)22(18(20)14-31)24(33)27-16-6-3-7-16/h4-5,8-11,16,18,20,22-23,31H,3,6-7,12-14H2,1-2H3,(H,27,33)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "BUXSVEZUKJHFER-NEKRIBJYSA-N" ; chebi:mass "465.546" ; chebi:monoisotopicmass "465.23760" ; chebi:smiles "CN(C)CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12637" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12637" . obo:CHEBI_101271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17-,22+/m0/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-PNLZDCPESA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_101272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27+/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-NOMHHCBYSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12639" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25+,26-/m0/s1" ; chebi:inchikey "KKHGDJJULHRULI-NXCFDTQHSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12640" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18+,20+/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-ILZDJORESA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12641" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22+,30+/m0/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-IABYTQIASA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-12642" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20-/m0/s1" ; chebi:inchikey "WNHZFTQVONQUSH-UUXHPUJUSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-12643" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12643" . obo:CHEBI_101277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-DGGJZMOXSA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12644" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_82814 . _:b1003 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b1003 . _:b1003 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35620 . _:b1004 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b1004 . _:b1004 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35674 . _:b1005 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b1005 . _:b1005 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38215 . _:b1006 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b1006 . _:b1006 owl:onProperty chebi2:is_conjugate_base_of ; owl:someValuesFrom obo:CHEBI_82812 . _:b1007 rdf:type owl:Restriction . obo:CHEBI_101278 rdfs:subClassOf _:b1007 . _:b1007 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_82813 . obo:CHEBI_101278 obo:IAO_0000115 "A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension." ; chebi:charge "0" ; chebi:formula "C22H26N2O4S" ; chebi:inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" ; chebi:inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-N" ; chebi:mass "414.51800" ; chebi:monoisotopicmass "414.16133" ; chebi:smiles "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O" ; oboInOwl:hasAlternativeId "CHEBI:4602" ; oboInOwl:hasDbXref "Beilstein:3573079" ; oboInOwl:hasDbXref "CAS:42399-41-7" ; oboInOwl:hasDbXref "DrugBank:DB00343" ; oboInOwl:hasDbXref "Drug_Central:897" ; oboInOwl:hasDbXref "HMDB:HMDB0014487" ; oboInOwl:hasDbXref "KEGG:C06958" ; oboInOwl:hasDbXref "KEGG:D07845" ; oboInOwl:hasDbXref "LINCS:LSM-2523" ; oboInOwl:hasDbXref "PMID:11937779" ; oboInOwl:hasDbXref "PMID:16651034" ; oboInOwl:hasDbXref "PMID:19167257" ; oboInOwl:hasDbXref "PMID:23687551" ; oboInOwl:hasDbXref "PMID:24261918" ; oboInOwl:hasDbXref "PMID:25122162" ; oboInOwl:hasDbXref "PMID:8369596" ; oboInOwl:hasDbXref "Patent:DE1805714" ; oboInOwl:hasDbXref "Patent:DE3415035" ; oboInOwl:hasDbXref "Patent:US3562257" ; oboInOwl:hasDbXref "Patent:US4552695" ; oboInOwl:hasDbXref "Reaxys:3573079" ; oboInOwl:hasDbXref "VSDB:1863" ; oboInOwl:hasDbXref "Wikipedia:Diltiazem" ; oboInOwl:hasExactSynonym "(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester" ; oboInOwl:hasRelatedSynonym "(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate" ; oboInOwl:hasRelatedSynonym "(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one" ; oboInOwl:hasRelatedSynonym "Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester" ; oboInOwl:hasRelatedSynonym "D-cis-diltiazem" ; oboInOwl:hasRelatedSynonym "d-cis-diltiazem" ; oboInOwl:hasRelatedSynonym "diltiazem" ; oboInOwl:hasRelatedSynonym "diltiazemum" ; oboInOwl:id "CHEBI:101278" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "diltiazem" . _:b1008 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:3573079" ; rdfs:label "Beilstein" . _:b1009 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:42399-41-7" ; rdfs:label "ChemIDplus" . _:b1010 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:42399-41-7" ; rdfs:label "KEGG COMPOUND" . _:b1011 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:42399-41-7" ; rdfs:label "NIST Chemistry WebBook" . _:b1012 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:897" ; rdfs:label "DrugCentral" . _:b1013 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11937779" ; rdfs:label "Europe PMC" . _:b1014 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16651034" ; rdfs:label "Europe PMC" . _:b1015 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19167257" ; rdfs:label "Europe PMC" . _:b1016 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23687551" ; rdfs:label "Europe PMC" . _:b1017 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24261918" ; rdfs:label "Europe PMC" . _:b1018 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25122162" ; rdfs:label "Europe PMC" . _:b1019 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8369596" ; rdfs:label "Europe PMC" . _:b1020 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:3573079" ; rdfs:label "Reaxys" . _:b1021 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1022 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester" ; oboInOwl:hasDbXref "ChEBI" . _:b1023 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate" ; oboInOwl:hasDbXref "ChEMBL" . _:b1024 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one" ; oboInOwl:hasDbXref "ChEBI" . _:b1025 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester" ; oboInOwl:hasDbXref "ChEMBL" . _:b1026 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-cis-diltiazem" ; oboInOwl:hasDbXref "ChEBI" . _:b1027 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "d-cis-diltiazem" ; oboInOwl:hasDbXref "ChEBI" . _:b1028 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diltiazem" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1029 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diltiazem" ; oboInOwl:hasDbXref "WHO_MedNet" ; oboInOwl:hasSynonymType chebi2:INN . _:b1030 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diltiazemum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46850 . _:b1031 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b1031 . _:b1031 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_101333 . _:b1032 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b1032 . _:b1032 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_27110 . _:b1033 rdf:type owl:Restriction . obo:CHEBI_101279 rdfs:subClassOf _:b1033 . _:b1033 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67267 . obo:CHEBI_101279 obo:IAO_0000115 "An organoammonium salt resulting from the mixing of equimolar amounts of GGTI-2133 free base and trifluoroacetic acid. An inhibitor of geranylgeranyltransferase type I." ; chebi:charge "0" ; chebi:formula "C29H29F3N4O5" ; chebi:inchi "InChI=1S/C27H28N4O3.C2HF3O2/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22;3-2(4,5)1(6)7/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34);(H,6,7)/t25-;/m0./s1" ; chebi:inchikey "FXXUNOYBYJFSRB-UQIIZPHYSA-N" ; chebi:mass "570.561" ; chebi:monoisotopicmass "570.20900" ; chebi:smiles "C(C([O-])=O)(F)(F)F.C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasDbXref "PMID:23335799" ; oboInOwl:hasDbXref "PMID:23415632" ; oboInOwl:hasDbXref "PMID:23649168" ; oboInOwl:hasDbXref "PMID:23744643" ; oboInOwl:hasDbXref "PMID:24486886" ; oboInOwl:hasDbXref "PMID:25882623" ; oboInOwl:hasExactSynonym "4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium trifluoroacetate" ; oboInOwl:hasExactSynonym "N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine trifluoroacetate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "GGTI 2133" ; oboInOwl:id "CHEBI:101279" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133" . _:b1034 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23335799" ; rdfs:label "Europe PMC" . _:b1035 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23415632" ; rdfs:label "Europe PMC" . _:b1036 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23649168" ; rdfs:label "Europe PMC" . _:b1037 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23744643" ; rdfs:label "Europe PMC" . _:b1038 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24486886" ; rdfs:label "Europe PMC" . _:b1039 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25882623" ; rdfs:label "Europe PMC" . _:b1040 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium trifluoroacetate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1041 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine trifluoroacetate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1042 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101279 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "GGTI 2133" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-HRZDXHFQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12646" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12646" . obo:CHEBI_101281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19-,20+/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-LWYYNNOASA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12647" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17-,18+/m1/s1" ; chebi:inchikey "VZLRHERICGIZBB-KURKYZTESA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12648" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_101283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H44F3N3O5" ; chebi:inchi "InChI=1S/C28H44F3N3O5/c1-19-16-34(20(2)18-35)27(37)23-15-22(32(4)5)10-11-24(23)39-21(3)9-7-8-14-38-25(19)17-33(6)26(36)12-13-28(29,30)31/h10-11,15,19-21,25,35H,7-9,12-14,16-18H2,1-6H3/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "IUWUHICBQVKRRR-SMTRIPRVSA-N" ; chebi:mass "559.662" ; chebi:monoisotopicmass "559.32331" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12649" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4,4,4-trifluoro-N-methylbutanamide" . obo:CHEBI_101284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22-,24+/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-NKXAJQEDSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12650" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-CEXWTWQISA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12651" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/m1/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IEGUWTFLSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12652" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "AICRRUIGWBNRBB-YDIMBITNSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12653" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28+/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-COVQPCOOSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12654" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_101289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22-,27+/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-JLFWUPFSSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12655" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12655" . obo:CHEBI_10129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33551 ; chebi:charge "0" ; chebi:formula "C19H41NO3S" ; chebi:inchi "InChI=1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3" ; chebi:inchikey "BHATUINFZWUDIX-UHFFFAOYSA-N" ; chebi:mass "363.601" ; chebi:monoisotopicmass "363.28072" ; chebi:smiles "CCCCCCCCCCCCCC[N+](C)(C)CCCS([O-])(=O)=O" ; oboInOwl:hasDbXref "CAS:14933-09-6" ; oboInOwl:hasDbXref "KEGG:C11216" ; oboInOwl:hasExactSynonym "Zwittergent 3-14" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zwittergent 3-14" . _:b1043 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10129 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:14933-09-6" ; rdfs:label "KEGG COMPOUND" . _:b1044 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10129 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zwittergent 3-14" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "BFDAKIJRIQBPOO-ADXHGGABSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CN2[C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-12656" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12656" . obo:CHEBI_101291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H27N5O3S" ; chebi:inchi "InChI=1S/C25H27N5O3S/c31-14-18-20-12-30-19(4-3-17(25(30)33)16-5-7-26-8-6-16)23(29(20)13-21-27-9-10-34-21)22(18)24(32)28-11-15-1-2-15/h3-10,15,18,20,22-23,31H,1-2,11-14H2,(H,28,32)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "HSQWCVQVATZDQW-NEKRIBJYSA-N" ; chebi:mass "477.581" ; chebi:monoisotopicmass "477.18346" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2N3CC6=NC=CS6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12657" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12657" . obo:CHEBI_101292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26-/m0/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-DYLHXGEVSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12658" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_101293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-QINHECLXSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasDbXref "LINCS:LSM-12659" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-RHGYRFJNSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12660" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C27H33N3O3" ; chebi:inchi "InChI=1S/C27H33N3O3/c1-2-29-23-17-30-22(14-13-20(26(30)32)12-11-19-9-5-3-6-10-19)25(29)24(21(23)18-31)27(33)28-15-7-4-8-16-28/h3,5-6,9-14,21,23-25,31H,2,4,7-8,15-18H2,1H3/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "YGSIRKPQRSDRAD-VGCGRUFVSA-N" ; chebi:mass "447.570" ; chebi:monoisotopicmass "447.25219" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12661" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12661" . obo:CHEBI_101296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-UKHYVGRKSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12662" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35N3O4" ; chebi:inchi "InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-16-25(14-15-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21+,28+/m1/s1" ; chebi:inchikey "HAJBOXZNCGYLAF-GGJMMHKRSA-N" ; chebi:mass "501.618" ; chebi:monoisotopicmass "501.26276" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12663" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_101298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24+,26-/m0/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-FBILRYNDSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12664" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H29N5O4" ; chebi:inchi "InChI=1S/C26H29N5O4/c32-14-21-20-13-30-22(5-4-19(25(30)33)17-6-8-27-9-7-17)23(20)31(12-18-15-35-16-28-18)24(21)26(34)29-10-2-1-3-11-29/h4-9,15-16,20-21,23-24,32H,1-3,10-14H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "KRPKJWJGWXBFEA-ZQRMPTRQSA-N" ; chebi:mass "475.541" ; chebi:monoisotopicmass "475.22195" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]3N2CC6=COC=N6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12665" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-2-[oxo(1-piperidinyl)methyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_1013 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17123 ; owl:deprecated true . obo:CHEBI_10130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22315 ; chebi:charge "0" ; chebi:formula "C27H43NO7" ; chebi:inchi "InChI=1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1" ; chebi:inchikey "NPNDUIMQBJIGQS-IDFKWMMPSA-N" ; chebi:mass "493.634" ; chebi:monoisotopicmass "493.30395" ; chebi:smiles "C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@@]6(O)[C@@H](CC[C@H]4[C@]3(O)[C@@H](O)[C@H](O)[C@@H]1[C@]2(C)O)[C@]5(C)CC[C@@H]6O" ; oboInOwl:hasDbXref "CAS:545-45-9" ; oboInOwl:hasDbXref "KEGG:C10831" ; oboInOwl:hasDbXref "KNApSAcK:C00002272" ; oboInOwl:hasExactSynonym "Zygadenine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "Zygadenine" . _:b1045 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:545-45-9" ; rdfs:label "KEGG COMPOUND" . _:b1046 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10130 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Zygadenine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-RNHFSVANSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12666" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H23FN2O4" ; chebi:inchi "InChI=1S/C25H23FN2O4/c26-20-9-5-4-8-16(20)12-28-22-18(19(14-29)23(28)25(31)32)13-27-21(22)11-10-17(24(27)30)15-6-2-1-3-7-15/h1-11,18-19,22-23,29H,12-14H2,(H,31,32)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "CTVHZJUSZJAUDM-LBVMUVSTSA-N" ; chebi:mass "434.460" ; chebi:monoisotopicmass "434.16419" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C4=CC=CC=C4)CC5=CC=CC=C5F)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12667" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16+/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-ARFHVFGLSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12668" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-29-25-22(16-31-24(25)12-11-21(27(31)33)19-8-3-2-4-9-19)23(17-32)26(29)28(34)30-14-13-18-7-5-6-10-20(18)15-30/h2-12,22-23,25-26,32H,13-17H2,1H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "YSTNLTHHZDJVRS-LJCOXQHRSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4)[C@@H]([C@H]1C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12669" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H30N4O3" ; chebi:inchi "InChI=1S/C24H30N4O3/c1-2-11-27-21-18(19(14-29)22(27)23(30)26-16-6-3-7-16)13-28-20(21)9-8-17(24(28)31)15-5-4-10-25-12-15/h4-5,8-10,12,16,18-19,21-22,29H,2-3,6-7,11,13-14H2,1H3,(H,26,30)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "FSWHIZWXGPVXBM-KRXUUXHPSA-N" ; chebi:mass "422.521" ; chebi:monoisotopicmass "422.23179" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@H]([C@@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12670" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27-,28+/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-LXKKXDFRSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12671" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19+/m1/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-GJYPPUQNSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12672" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "CQZVRHUHRGDROH-GUXCAODWSA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-12673" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "JTCZGLOUSBJUER-HYFFOGBASA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12674" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-BALWLHIASA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12675" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_10131 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18252 ; owl:deprecated true . obo:CHEBI_101310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20+/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-QKYXUNIQSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12676" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25+,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-JMQONQOQSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12677" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12677" . obo:CHEBI_101312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18+/m0/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-RCCFBDPRSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12678" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21-/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-TYPHKJRUSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12679" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-15-33(22(2)18-34)31(35)27-11-7-6-10-26(27)25-9-5-4-8-24(25)19-36-30(21)17-32(3)16-23-12-13-28-29(14-23)38-20-37-28/h4-14,21-22,30,34H,15-20H2,1-3H3/t21-,22-,30-/m0/s1" ; chebi:inchikey "VTMUWCMJICVSQX-PWWNZBMUSA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12680" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12680" . obo:CHEBI_101315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20+,24+,26-/m1/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-SNXCTZGFSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12681" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "JTCZGLOUSBJUER-JLHGSKIFSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12682" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19+,22-,24-/m1/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-KSZDXEJVSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-12683" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28-,30-/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-DZRWVVDBSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12684" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22+,24+/m1/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-GPXNEJASSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12685" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O7" ; chebi:inchi "InChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "WGYNXZDTDZWEBG-ZWVMGRIOSA-N" ; chebi:mass "428.436" ; chebi:monoisotopicmass "428.15835" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12686" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-YESZJQIVSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12687" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-11-16-15-10-24-17(6-3-7-18(24)26)19(15)23-20(16)21(27)22-14-8-12-4-1-2-5-13(12)9-14/h1-7,14-16,19-20,23,25H,8-11H2,(H,22,27)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "WRJPWVKEXURTAG-YAJHFMINSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N[C@@H]2C3=CC=CC(=O)N31)C(=O)NC4CC5=CC=CC=C5C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12688" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11-,13+,15+/m1/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-RNKJKDHYSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasDbXref "LINCS:LSM-12689" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O7" ; chebi:inchi "InChI=1S/C28H32N2O7/c31-14-25-27-21(12-19(36-25)13-26(32)29-17-4-2-1-3-5-17)20-11-18(7-9-22(20)37-27)30-28(33)16-6-8-23-24(10-16)35-15-34-23/h6-11,17,19,21,25,27,31H,1-5,12-15H2,(H,29,32)(H,30,33)/t19-,21+,25+,27-/m1/s1" ; chebi:inchikey "VAJXXPPWCPTEHE-ZPNKKQCCSA-N" ; chebi:mass "508.564" ; chebi:monoisotopicmass "508.22095" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12690" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15-,19+/m1/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-CLCXKQKWSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12691" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-NROSNUSPSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12692" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_101327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H26F2N2O7" ; chebi:inchi "InChI=1S/C29H26F2N2O7/c30-17-2-4-22(31)16(7-17)12-32-27(35)11-19-10-21-20-9-18(3-6-23(20)40-28(21)26(13-34)39-19)33-29(36)15-1-5-24-25(8-15)38-14-37-24/h1-9,19,21,26,28,34H,10-14H2,(H,32,35)(H,33,36)/t19-,21-,26-,28+/m1/s1" ; chebi:inchikey "JRAPIMFHFBSUKE-ACEAMVEQSA-N" ; chebi:mass "552.524" ; chebi:monoisotopicmass "552.17081" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12693" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16-,22+/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-PONJGIIJSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12694" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25-,26+/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-AYRHNUGRSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12695" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H21FN2O2" ; chebi:inchi "InChI=1S/C23H21FN2O2/c1-15(2)6-7-16-8-10-17(11-9-16)22-20(13-25)26(21(22)14-27)23(28)18-4-3-5-19(24)12-18/h3-5,8-12,15,20-22,27H,14H2,1-2H3/t20-,21+,22-/m1/s1" ; chebi:inchikey "DGEMMPDKDCWCNC-BHIFYINESA-N" ; chebi:mass "376.424" ; chebi:monoisotopicmass "376.15871" ; chebi:smiles "CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12696" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H44N4O3S" ; chebi:inchi "InChI=1S/C33H44N4O3S/c1-33(2,3)41(40)37-23-27-22-28(32(39)36-18-16-35(4)17-19-36)34-31(30(27)29(37)15-20-38)26-14-8-13-25(21-26)12-7-11-24-9-5-6-10-24/h8,13-14,21-22,24,29,38H,5-6,9-11,15-20,23H2,1-4H3/t29-,41?/m0/s1" ; chebi:inchikey "LIWWQJPEXSZFEM-XLSVDPLXSA-N" ; chebi:mass "576.795" ; chebi:monoisotopicmass "576.31341" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12697" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101332 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_643228 ; owl:deprecated true . obo:CHEBI_101333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25697 ; rdfs:subClassOf obo:CHEBI_35274 . _:b1047 rdf:type owl:Restriction . obo:CHEBI_101333 rdfs:subClassOf _:b1047 . _:b1047 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_101257 . obo:CHEBI_101333 obo:IAO_0000115 "An organic cation obtained by protonation of GGTI-2133 free base." ; chebi:charge "+1" ; chebi:formula "C27H29N4O3" ; chebi:inchi "InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/p+1/t25-/m0/s1" ; chebi:inchikey "ODTFPKNIFYMEHP-VWLOTQADSA-O" ; chebi:mass "457.545" ; chebi:monoisotopicmass "457.22342" ; chebi:smiles "C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O" ; oboInOwl:hasExactSynonym "4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "GGTI-2133 free base cation" ; oboInOwl:id "CHEBI:101333" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "GGTI-2133 free base(1+)" . _:b1048 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101333 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-N-[(1H-imidazol-4-yl)methyl]-3-(naphthalen-1-yl)anilinium" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1049 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101333 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "GGTI-2133 free base cation" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "REZGKQRSIIUNQT-IEGUWTFLSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12699" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_101335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18-,23+/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IUKKYPGJSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12700" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21-/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-YFVAEKQCSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12701" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26+,27-/m0/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-IGSOQLKZSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12702" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21-/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-MRUHUIDDSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12703" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m0/s1" ; chebi:inchikey "QBEIQJOXWRLXRW-DKGMKSHISA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12704" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12704" . obo:CHEBI_101340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27-/m0/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-IZVMNLJQSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12705" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12705" . obo:CHEBI_101341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24+/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-OBWXTZQISA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12706" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_101342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H35N5O3S" ; chebi:inchi "InChI=1S/C34H35N5O3S/c1-34(2,3)43(42)39-22-28-20-29(33(41)37-16-12-23-10-14-36-15-11-23)38-32(31(28)30(39)13-17-40)27-9-5-8-26(19-27)25-7-4-6-24(18-25)21-35/h4-11,14-15,18-20,30,40H,12-13,16-17,22H2,1-3H3,(H,37,41)/t30-,43-/m1/s1" ; chebi:inchikey "VJIZUSRNHDZCJF-QHKNHCAJSA-N" ; chebi:mass "593.741" ; chebi:monoisotopicmass "593.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12707" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C28H30FN5O5" ; chebi:inchi "InChI=1S/C28H30FN5O5/c1-16-22(14-33(2)32-16)31-26(35)13-20-8-9-23-25(39-20)15-38-24-10-7-19(12-21(24)28(37)34(23)3)30-27(36)17-5-4-6-18(29)11-17/h4-7,10-12,14,20,23,25H,8-9,13,15H2,1-3H3,(H,30,36)(H,31,35)/t20-,23-,25-/m1/s1" ; chebi:inchikey "LLFGMIFPADLUOD-QFZRFWILSA-N" ; chebi:mass "535.568" ; chebi:monoisotopicmass "535.22310" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12708" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide" . obo:CHEBI_101344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27-/m1/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-AVPJRLCVSA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12709" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_101345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17-,18-,19+/m0/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-DSLXNQLJSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-12710" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-14-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(13-15-34)26(22)27(32-24)21-8-6-7-20(16-21)19-9-11-23(30)12-10-19/h6-12,16-17,25,34H,5,13-15,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "HVPPUANJBVTFMA-RSUXDYMJSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12711" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "VINMFOKKSKWMTO-YDZRNGNQSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-12712" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-11-7-6-8-12-24)38-33(32(29)31(40)17-18-41)27-15-9-13-25(19-27)26-14-10-16-28(20-26)35(43)39(4)5/h6-16,19-21,31,41H,17-18,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1" ; chebi:inchikey "LFBXRJWXGRWLKM-OJFHYHFNSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12713" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O5S" ; chebi:inchi "InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24-,30-/m0/s1" ; chebi:inchikey "LJWHPXFZVGGEPZ-JYUFKMNQSA-N" ; chebi:mass "589.747" ; chebi:monoisotopicmass "589.26104" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12714" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12714" . obo:CHEBI_10135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_67265 ; chebi:charge "0" ; chebi:formula "C17H24O4" ; chebi:inchi "InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3" ; chebi:inchikey "KMNVXQHNIWUUSE-UHFFFAOYSA-N" ; chebi:mass "292.371" ; chebi:monoisotopicmass "292.16746" ; chebi:smiles "CCCCCC(=O)CC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasDbXref "CAS:61871-71-4" ; oboInOwl:hasDbXref "KEGG:C10459" ; oboInOwl:hasDbXref "KNApSAcK:C00002746" ; oboInOwl:hasExactSynonym "[6]-Gingerdione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Gingerdione" . _:b1050 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10135 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:61871-71-4" ; rdfs:label "KEGG COMPOUND" . _:b1051 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10135 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[6]-Gingerdione" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23+,25-,27-/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-DWEXDDMVSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12715" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H24Cl2FN3O4" ; chebi:inchi "InChI=1S/C22H24Cl2FN3O4/c23-17-7-5-15(11-18(17)24)27-22(31)28-19-8-6-16(32-20(19)12-29)9-10-26-21(30)13-1-3-14(25)4-2-13/h1-5,7,11,16,19-20,29H,6,8-10,12H2,(H,26,30)(H2,27,28,31)/t16-,19+,20+/m1/s1" ; chebi:inchikey "ONEMPWMAPHHZJV-UXPWSPDFSA-N" ; chebi:mass "484.349" ; chebi:monoisotopicmass "483.11279" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)C2=CC=C(C=C2)F)CO)NC(=O)NC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12716" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide" . obo:CHEBI_101352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-SBZVUBOMSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12717" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12717" . obo:CHEBI_101353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12718" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101354 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_3082 ; owl:deprecated true . obo:CHEBI_101355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25392 ; rdfs:subClassOf obo:CHEBI_35489 . _:b1052 rdf:type owl:Restriction . obo:CHEBI_101355 rdfs:subClassOf _:b1052 . _:b1052 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50925 . obo:CHEBI_101355 obo:IAO_0000115 "An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol." ; chebi:charge "0" ; chebi:formula "C20H14O2S2" ; chebi:inchi "InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H" ; chebi:inchikey "RFAXLXKIAKIUDT-UHFFFAOYSA-N" ; chebi:mass "350.457" ; chebi:monoisotopicmass "350.04352" ; chebi:smiles "S(SC=1C(=CC=C2C=CC=CC12)O)C=3C(=CC=C4C=CC=CC34)O" ; oboInOwl:hasDbXref "CAS:42521-82-4" ; oboInOwl:hasDbXref "PMID:24750049" ; oboInOwl:hasDbXref "PMID:26379399" ; oboInOwl:hasDbXref "PMID:26863260" ; oboInOwl:hasDbXref "PMID:26912410" ; oboInOwl:hasDbXref "PMID:26949163" ; oboInOwl:hasDbXref "PMID:27012601" ; oboInOwl:hasDbXref "Reaxys:2598991" ; oboInOwl:hasExactSynonym "1,1'-disulfanediyldi(naphthalen-2-ol)" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,1'-Dithiodi-2-naphthol" ; oboInOwl:hasRelatedSynonym "Bis(2-hydroxy-1-naphthyl) disulfide" ; oboInOwl:id "CHEBI:101355" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "IPA-3" . _:b1053 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:42521-82-4" ; rdfs:label "ChemIDplus" . _:b1054 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24750049" ; rdfs:label "Europe PMC" . _:b1055 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26379399" ; rdfs:label "Europe PMC" . _:b1056 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26863260" ; rdfs:label "Europe PMC" . _:b1057 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26912410" ; rdfs:label "Europe PMC" . _:b1058 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26949163" ; rdfs:label "Europe PMC" . _:b1059 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27012601" ; rdfs:label "Europe PMC" . _:b1060 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2598991" ; rdfs:label "Reaxys" . _:b1061 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1,1'-disulfanediyldi(naphthalen-2-ol)" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1062 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,1'-Dithiodi-2-naphthol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1063 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101355 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Bis(2-hydroxy-1-naphthyl) disulfide" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_101356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)27-14-8-7-13-26(27)25-12-6-4-11-24(25)20-38-28(21)18-32(3)39(36,37)29-15-9-5-10-23(29)16-31/h4-15,21-22,28,34H,17-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "CWLJLYLZQZUHCH-VPYPWEPUSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12720" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12720" . obo:CHEBI_101357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26+,27-/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-VFOOCMBXSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12721" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12721" . obo:CHEBI_101358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25-,26-,27+/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-YIPNQBBMSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12722" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H25N3OS" ; chebi:inchi "InChI=1S/C22H25N3OS/c1-2-18-13-24-22(27-18)25-19(12-23)21(20(25)14-26)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,13,19-21,26H,2-5,7,14H2,1H3/t19-,20-,21-/m0/s1" ; chebi:inchikey "DBVJKEGLTFFIFT-ACRUOGEOSA-N" ; chebi:mass "379.520" ; chebi:monoisotopicmass "379.17183" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12723" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_134251 ; rdfs:subClassOf obo:CHEBI_55380 . _:b1064 rdf:type owl:Restriction . obo:CHEBI_10136 rdfs:subClassOf _:b1064 . _:b1064 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . _:b1065 rdf:type owl:Restriction . obo:CHEBI_10136 rdfs:subClassOf _:b1065 . _:b1065 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10136 obo:IAO_0000115 "A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger." ; chebi:charge "0" ; chebi:formula "C17H26O4" ; chebi:inchi "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1" ; chebi:inchikey "NLDDIKRKFXEWBK-AWEZNQCLSA-N" ; chebi:mass "294.38590" ; chebi:monoisotopicmass "294.18311" ; chebi:smiles "CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasDbXref "CAS:23513-14-6" ; oboInOwl:hasDbXref "HMDB:HMDB0005783" ; oboInOwl:hasDbXref "KEGG:C10462" ; oboInOwl:hasDbXref "KNApSAcK:C00002748" ; oboInOwl:hasDbXref "LINCS:LSM-2569" ; oboInOwl:hasDbXref "MetaCyc:CPD-13494" ; oboInOwl:hasDbXref "PMID:22719783" ; oboInOwl:hasDbXref "PMID:23369342" ; oboInOwl:hasDbXref "PMID:23437345" ; oboInOwl:hasDbXref "PMID:23519881" ; oboInOwl:hasDbXref "Reaxys:5287467" ; oboInOwl:hasDbXref "Wikipedia:Gingerol" ; oboInOwl:hasExactSynonym "(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone" ; oboInOwl:hasRelatedSynonym "(S)-(+)-[6]Gingerol" ; oboInOwl:hasRelatedSynonym "(S)-(6)-Gingerol" ; oboInOwl:hasRelatedSynonym "6-Gingerol" ; oboInOwl:hasRelatedSynonym "[6]-Gingerol" ; oboInOwl:id "CHEBI:10136" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "gingerol" . _:b1066 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:23513-14-6" ; rdfs:label "ChemIDplus" . _:b1067 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:23513-14-6" ; rdfs:label "KEGG COMPOUND" . _:b1068 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22719783" ; rdfs:label "Europe PMC" . _:b1069 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23369342" ; rdfs:label "Europe PMC" . _:b1070 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23437345" ; rdfs:label "Europe PMC" . _:b1071 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23519881" ; rdfs:label "Europe PMC" . _:b1072 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:5287467" ; rdfs:label "Reaxys" . _:b1073 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1074 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1075 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-(+)-[6]Gingerol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1076 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-(6)-Gingerol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1077 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Gingerol" ; oboInOwl:hasDbXref "HMDB" . _:b1078 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Gingerol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1079 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10136 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[6]-Gingerol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "VOTKEIORIBNPMA-CTWZREHQSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12724" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12724" . obo:CHEBI_101361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-16-14-37(6)15-17-38)35-31(30(27)29(39)13-18-40)25-11-7-9-23(19-25)24-10-8-12-26(20-24)32(41)36(4)5/h7-12,19-21,29,40H,13-18,22H2,1-6H3/t29-,44-/m1/s1" ; chebi:inchikey "JAGKHPQTGSVHMY-FUGCVYLMSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12725" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H23Cl2FN2O5S" ; chebi:inchi "InChI=1S/C21H23Cl2FN2O5S/c22-17-7-1-13(9-18(17)23)11-25-21(28)10-15-4-8-19(20(12-27)31-15)26-32(29,30)16-5-2-14(24)3-6-16/h1-3,5-7,9,15,19-20,26-27H,4,8,10-12H2,(H,25,28)/t15-,19+,20-/m1/s1" ; chebi:inchikey "IBEFNTNFDPOULD-UIAACRFSSA-N" ; chebi:mass "505.389" ; chebi:monoisotopicmass "504.06888" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12726" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide" . obo:CHEBI_101363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C17H27N3O3" ; chebi:inchi "InChI=1S/C17H27N3O3/c1-11-8-19-12(2)10-23-15-7-13(18)5-6-14(15)17(21)20(3)9-16(11)22-4/h5-7,11-12,16,19H,8-10,18H2,1-4H3/t11-,12-,16-/m1/s1" ; chebi:inchikey "QJVJBGSWJYMVMN-XHBSWPGZSA-N" ; chebi:mass "321.415" ; chebi:monoisotopicmass "321.20524" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)N)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12727" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-14-amino-5-methoxy-3,6,9-trimethyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one" . obo:CHEBI_101364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H40N4O5S" ; chebi:inchi "InChI=1S/C33H40N4O5S/c1-33(2,3)43(41)37-21-26-20-27(32(40)36-13-16-42-17-14-36)34-30(29(26)28(37)12-15-38)24-10-6-8-22(18-24)23-9-7-11-25(19-23)31(39)35(4)5/h6-11,18-20,28,38H,12-17,21H2,1-5H3/t28-,43-/m0/s1" ; chebi:inchikey "FSDPWXFWDMXQOK-SBWXIOHRSA-N" ; chebi:mass "604.762" ; chebi:monoisotopicmass "604.27194" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12728" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18+/m1/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-VKJFTORMSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@H]([C@H]([C@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12729" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O5" ; chebi:inchi "InChI=1S/C25H31FN4O5/c1-14(2)28-25(34)30-20-12-29-19(8-7-17(24(29)33)15-5-4-6-16(26)11-15)22(30)21(18(20)13-31)23(32)27-9-10-35-3/h4-8,11,14,18,20-22,31H,9-10,12-13H2,1-3H3,(H,27,32)(H,28,34)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "RKZCTJVPZQLRIW-YJMBLLCNSA-N" ; chebi:mass "486.537" ; chebi:monoisotopicmass "486.22785" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-12730" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12730" . obo:CHEBI_101367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19-,21-,23+/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-WACMXJRTSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12731" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20-/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-IMFGXOCKSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12732" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26-/m0/s1" ; chebi:inchikey "HBACCIGQRKGJSE-GSDHBNRESA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12733" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_10137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17087 ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; chebi:charge "0" ; chebi:formula "C17H26O3" ; chebi:inchi "InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3" ; chebi:inchikey "CZNLTCTYLMYLHL-UHFFFAOYSA-N" ; chebi:mass "278.387" ; chebi:monoisotopicmass "278.18819" ; chebi:smiles "CCCCCCCC(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasDbXref "CAS:27113-22-0" ; oboInOwl:hasDbXref "KEGG:C10482" ; oboInOwl:hasDbXref "KNApSAcK:C00002764" ; oboInOwl:hasDbXref "LINCS:LSM-4743" ; oboInOwl:hasExactSynonym "[6]-Paradol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-" ; oboInOwl:id "CHEBI:10137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Paradol" . _:b1080 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10137 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:27113-22-0" ; rdfs:label "KEGG COMPOUND" . _:b1081 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10137 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[6]-Paradol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1082 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10137 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20+,21-/m1/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-YXYSEUPNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12734" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19+/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-KVSKMBFKSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12735" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22-,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-HUUMMWPTSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12736" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O4" ; chebi:inchi "InChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16+,20-/m1/s1" ; chebi:inchikey "AADVJQLQUVDEBP-GQIGUUNPSA-N" ; chebi:mass "420.546" ; chebi:monoisotopicmass "420.27366" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12737" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_101374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22-,23-,24+/m0/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-NEWJYFPISA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12738" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O5S" ; chebi:inchi "InChI=1S/C30H36N2O5S/c1-21-11-5-10-16-29(21)38(35,36)31(4)18-28-22(2)17-32(23(3)19-33)30(34)27-15-9-8-14-26(27)25-13-7-6-12-24(25)20-37-28/h5-16,22-23,28,33H,17-20H2,1-4H3/t22-,23-,28+/m1/s1" ; chebi:inchikey "RCQCJVVJEHACDL-MRJKTFCFSA-N" ; chebi:mass "536.684" ; chebi:monoisotopicmass "536.23449" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12739" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12739" . obo:CHEBI_101376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15-,16-,17+/m0/s1" ; chebi:inchikey "MWTQFHHONBVRQP-LUKYLMHMSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-12740" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_101377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21-/m1/s1" ; chebi:inchikey "SBFIZHFYYISGJV-MAODMQOUSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-12741" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_101378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-KHCICDEESA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12742" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28+/m1/s1" ; chebi:inchikey "HSJIFMVKIOATEF-CJYOKPGZSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12743" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12743" . obo:CHEBI_10138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_51689 ; chebi:charge "0" ; chebi:formula "C17H24O3" ; chebi:inchi "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+" ; chebi:inchikey "OQWKEEOHDMUXEO-BQYQJAHWSA-N" ; chebi:mass "276.371" ; chebi:monoisotopicmass "276.17254" ; chebi:smiles "CCCCC\\C=C\\C(=O)CCc1ccc(O)c(OC)c1" ; oboInOwl:hasDbXref "CAS:555-66-8" ; oboInOwl:hasDbXref "KEGG:C10494" ; oboInOwl:hasDbXref "KNApSAcK:C00002774" ; oboInOwl:hasExactSynonym "[6]-Shogaol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[6]-Shogaol" . _:b1083 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10138 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:555-66-8" ; rdfs:label "KEGG COMPOUND" . _:b1084 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10138 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[6]-Shogaol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101380 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_258351 ; owl:deprecated true . obo:CHEBI_101381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23990 ; rdfs:subClassOf obo:CHEBI_25018 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_32955 . _:b1085 rdf:type owl:Restriction . obo:CHEBI_101381 rdfs:subClassOf _:b1085 . _:b1085 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_64932 . obo:CHEBI_101381 obo:IAO_0000115 "An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide." ; chebi:charge "0" ; chebi:formula "C17H30N2O5" ; chebi:inchi "InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1" ; chebi:inchikey "SRVFFFJZQVENJC-IHRRRGAJSA-N" ; chebi:mass "342.431" ; chebi:monoisotopicmass "342.21547" ; chebi:smiles "O1[C@@H]([C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC" ; oboInOwl:hasDbXref "Beilstein:5354546" ; oboInOwl:hasDbXref "CAS:88321-09-9" ; oboInOwl:hasDbXref "PMID:26388830" ; oboInOwl:hasDbXref "Reaxys:5354546" ; oboInOwl:hasExactSynonym "ethyl (2S,3S)-3-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}carbamoyl)oxirane-2-carboxylate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "E 64d" ; oboInOwl:hasRelatedSynonym "E-64d" ; oboInOwl:hasRelatedSynonym "E64d" ; oboInOwl:hasRelatedSynonym "Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamate" ; oboInOwl:hasRelatedSynonym "Loxistatin" ; oboInOwl:hasRelatedSynonym "aloxistatin" ; oboInOwl:hasRelatedSynonym "aloxistatina" ; oboInOwl:hasRelatedSynonym "aloxistatine" ; oboInOwl:hasRelatedSynonym "aloxistatinum" ; oboInOwl:id "CHEBI:101381" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "aloxistatin" . _:b1086 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:5354546" ; rdfs:label "ChemIDplus" . _:b1087 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88321-09-9" ; rdfs:label "ChemIDplus" . _:b1088 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26388830" ; rdfs:label "Europe PMC" . _:b1089 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:5354546" ; rdfs:label "Reaxys" . _:b1090 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "ethyl (2S,3S)-3-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}carbamoyl)oxirane-2-carboxylate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1091 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "E 64d" ; oboInOwl:hasDbXref "ChEBI" . _:b1092 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "E-64d" ; oboInOwl:hasDbXref "ChEBI" . _:b1093 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "E64d" ; oboInOwl:hasDbXref "ChEBI" . _:b1094 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamate" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1095 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Loxistatin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1096 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aloxistatin" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1097 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aloxistatina" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1098 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aloxistatine" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1099 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101381 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aloxistatinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22+/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-TUNNFDKTSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-12745" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20+,22-/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-QBLKZJFASA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12746" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20-,23+/m0/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-IHFIDZABSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12747" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16+,18+/m1/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-HFTRVMKXSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-12748" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10-,11+/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-YTWAJWBKSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-12749" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-HCXYKTFWSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-12750" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21-,23-,24+/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-KOVSNXQUSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12751" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16-,20+/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-TWOQFEAHSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-12752" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22+,25-/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-JBAWTIAASA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12753" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19+/m1/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-QRVBRYPASA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12754" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-GRTAZNFBSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12755" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19+/m0/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-FRQCXROJSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12756" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_101394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20+,22-/m0/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-DWLFOUALSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12757" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_101395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20-,22+/m0/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-RBDMOPTHSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12758" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_101396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22+,25-,27-/m1/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-IIKILRQQSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12759" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-SSPLDBJCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12760" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12760" . obo:CHEBI_101398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H37N5O4" ; chebi:inchi "InChI=1S/C22H37N5O4/c28-16-21-19(23-22(29)15-26-10-12-30-13-11-26)7-6-18(31-21)8-9-27-14-20(24-25-27)17-4-2-1-3-5-17/h14,17-19,21,28H,1-13,15-16H2,(H,23,29)/t18-,19-,21+/m1/s1" ; chebi:inchikey "ASLPZONUTGKWLH-SBHAEUEKSA-N" ; chebi:mass "435.561" ; chebi:monoisotopicmass "435.28455" ; chebi:smiles "C1CCC(CC1)C2=CN(N=N2)CC[C@H]3CC[C@H]([C@@H](O3)CO)NC(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12761" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_101399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25-,27+,29+/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-UXLOVFDUSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12762" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_1014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26394 ; chebi:charge "0" ; chebi:formula "C10H14N6O4" ; chebi:inchi "InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1" ; chebi:inchikey "ZDTFMPXQUSBYRL-UUOKFMHZSA-N" ; chebi:mass "282.256" ; chebi:monoisotopicmass "282.10765" ; chebi:smiles "Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1" ; oboInOwl:hasDbXref "CAS:2096-10-8" ; oboInOwl:hasDbXref "KEGG:C00939" ; oboInOwl:hasExactSynonym "2-Aminoadenosine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Aminoadenosine" . _:b1100 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1014 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2096-10-8" ; rdfs:label "KEGG COMPOUND" . _:b1101 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1014 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-Aminoadenosine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21+/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-OPYAIIAOSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12763" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19-/m1/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-GUDVDZBRSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12764" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m1/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-SGQNLQFHSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12765" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12765" . obo:CHEBI_101403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25-/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-GZGNHOFSSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12766" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_101404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-MPCDZSKCSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12767" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_101405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H27N3O3" ; chebi:inchi "InChI=1S/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m1/s1" ; chebi:inchikey "JIIRQJXSNNBKIS-QCFAMHMHSA-N" ; chebi:mass "393.480" ; chebi:monoisotopicmass "393.20524" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12768" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12768" . obo:CHEBI_101406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-FTRWYGJKSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12769" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "UWGYAIIPASVTSB-JLLPCOHGSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12770" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_101408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19+,21+/m1/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-PBEJRMEISA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12771" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22+,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-CIGBUEHFSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12772" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12772" . obo:CHEBI_101410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16-/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-OWCLPIDISA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12773" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H28FN3O3" ; chebi:inchi "InChI=1S/C24H28FN3O3/c25-15-6-4-5-14(11-15)17-9-10-20-21-18(12-28(20)24(17)31)19(13-29)22(27-21)23(30)26-16-7-2-1-3-8-16/h4-6,9-11,16,18-19,21-22,27,29H,1-3,7-8,12-13H2,(H,26,30)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "VBHCGIGHTBBWQL-MPJJRAAHSA-N" ; chebi:mass "425.497" ; chebi:monoisotopicmass "425.21147" ; chebi:smiles "C1CCC(CC1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]3N2)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12774" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclohexyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H39N3O5" ; chebi:inchi "InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30-/m0/s1" ; chebi:inchikey "LTECXWQWCPQLLD-BURCIIJTSA-N" ; chebi:mass "569.692" ; chebi:monoisotopicmass "569.28897" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12775" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12775" . obo:CHEBI_101413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-JLHGSKIFSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12776" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C31H38N2O4" ; chebi:inchi "InChI=1S/C31H38N2O4/c1-22-17-33(23(2)20-34)31(35)28-15-9-8-14-27(28)26-13-7-5-12-25(26)21-37-30(22)19-32(3)18-24-11-6-10-16-29(24)36-4/h5-16,22-23,30,34H,17-21H2,1-4H3/t22-,23+,30-/m0/s1" ; chebi:inchikey "VZCRYBFAFAJOLC-BURCIIJTSA-N" ; chebi:mass "502.646" ; chebi:monoisotopicmass "502.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12777" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12777" . obo:CHEBI_101415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-WJONJSRFSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12778" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1102 rdf:type owl:Restriction . obo:CHEBI_101416 rdfs:subClassOf _:b1102 . _:b1102 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101416 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19-/m0/s1" ; chebi:inchikey "DNWBFORDJWKZCR-LNLFQRSKSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12779" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-2-10-25-22(29)13-17-12-19-18-11-16(27-24(30)26-15-6-4-3-5-7-15)8-9-20(18)32-23(19)21(14-28)31-17/h8-9,11,15,17,19,21,23,28H,2-7,10,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "ALHQUDNRSCILRO-GUBFDYSESA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12780" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_101418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21+,25-,27-/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-DBXGMPFESA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12781" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H36N2O7" ; chebi:inchi "InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30-,32-/m0/s1" ; chebi:inchikey "MARYDHBQWVLAFX-YTXOVJPBSA-N" ; chebi:mass "572.649" ; chebi:monoisotopicmass "572.25225" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12782" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_10142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60027 ; chebi:formula "(C29H48O23)n" ; oboInOwl:hasDbXref "KEGG:C07286" ; oboInOwl:hasExactSynonym "[Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans" . _:b1103 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10142 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Arabino-galacto-(1->6)]-(1->3)-beta-D-galactans" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-YZZRYBLGSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12783" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_101421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24-,25+/m0/s1" ; chebi:inchikey "HZAABOSBDYXUMN-WQDFSMHNSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12784" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22+,29+/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-BXOOBUKZSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12785" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12785" . obo:CHEBI_101423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21-/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-UEXGIBASSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12786" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21+,24+,26-/m0/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-RDCZCFFCSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12787" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17+,20-,22-/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-WEMWZYORSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12788" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H35N3O3" ; chebi:inchi "InChI=1S/C31H35N3O3/c35-20-25-27-19-34-26(16-15-24(31(34)37)22-11-5-2-6-12-22)29(28(25)30(36)32-23-13-7-8-14-23)33(27)18-17-21-9-3-1-4-10-21/h1-6,9-12,15-16,23,25,27-29,35H,7-8,13-14,17-20H2,(H,32,36)/t25-,27-,28+,29+/m1/s1" ; chebi:inchikey "BONPOAJFWRGMIG-RXIOLPMVSA-N" ; chebi:mass "497.629" ; chebi:monoisotopicmass "497.26784" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3CCC6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12789" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12789" . obo:CHEBI_101427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "APRVPIVHITUHLQ-BALWLHIASA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12790" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12790" . obo:CHEBI_101428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26-,29+/m0/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-RSRUXJMGSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12791" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25+/m0/s1" ; chebi:inchikey "VDMGESCZGFUZFC-QQKQFIJSSA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12792" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27-,29+/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-AVRHNVJQSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12793" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23+/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-HKARXFIJSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12794" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C33H41N5O5" ; chebi:inchi "InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24-,30+/m1/s1" ; chebi:inchikey "IOQJCBWFRPGQBJ-ZLRJYYBNSA-N" ; chebi:mass "587.710" ; chebi:monoisotopicmass "587.31077" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12795" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12795" . obo:CHEBI_101433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O4S" ; chebi:inchi "InChI=1S/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/t27-,39-/m0/s1" ; chebi:inchikey "NHZALIQGAPONCQ-XGFTYPEHSA-N" ; chebi:mass "547.710" ; chebi:monoisotopicmass "547.25048" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC(=CC=C4)OC)[S@@](=O)C(C)(C)C)CCO" ; oboInOwl:hasDbXref "LINCS:LSM-12796" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12796" . obo:CHEBI_101434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-BRWVUGGUSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12797" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_101435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24+,26-,28-/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-WOADYHPTSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12798" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26+,27+,30-/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-TXQUNOLYSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12799" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-YRNRMSPPSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-12800" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "AICRRUIGWBNRBB-JXQFQVJHSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasDbXref "LINCS:LSM-12801" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,18-/m1/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-SOLBZPMBSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasDbXref "LINCS:LSM-12802" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_10144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C6H10N2O2SR2" ; chebi:mass "174.222" ; chebi:monoisotopicmass "174.04630" ; chebi:smiles "CSCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasDbXref "KEGG:C05205" ; oboInOwl:hasExactSynonym "[Cytochrome c] S-methionine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "[Cytochrome c] L-methionine" ; oboInOwl:id "CHEBI:10144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Cytochrome c] S-methionine" . _:b1104 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10144 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Cytochrome c] S-methionine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1105 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10144 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[Cytochrome c] L-methionine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27+/m0/s1" ; chebi:inchikey "PIMBJQHAALXIRA-LKSLQULUSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12803" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12803" . obo:CHEBI_101441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C21H24N2O4" ; chebi:inchi "InChI=1S/C21H24N2O4/c1-27-21(26)19-15(13-24)17-12-23-16(8-5-9-18(23)25)20(19)22(17)11-10-14-6-3-2-4-7-14/h2-9,15,17,19-20,24H,10-13H2,1H3/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "YMDLGNDEUAJUCM-SMMRIJLZSA-N" ; chebi:mass "368.427" ; chebi:monoisotopicmass "368.17361" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CCC4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12804" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12804" . obo:CHEBI_101442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18+,20+,21-/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-ZSXPUABSSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12805" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O5" ; chebi:inchi "InChI=1S/C27H35FN4O5/c1-6-25(33)29-19-11-12-23-20(13-19)26(34)31(4)15-24(36-5)17(2)14-32(18(3)16-37-23)27(35)30-22-10-8-7-9-21(22)28/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,33)(H,30,35)/t17-,18-,24-/m1/s1" ; chebi:inchikey "RUAQTZPJPSJOEM-QZTZHPFYSA-N" ; chebi:mass "514.590" ; chebi:monoisotopicmass "514.25915" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)NC3=CC=CC=C3F)C" ; oboInOwl:hasDbXref "LINCS:LSM-12806" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-N-(2-fluorophenyl)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxopropylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20+/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-NMLACTOBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12807" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H42N4O4S" ; chebi:inchi "InChI=1S/C34H42N4O4S/c1-34(2,3)43(42)38-21-26-20-28(32(40)35-27-11-6-7-12-27)36-31(30(26)29(38)17-18-39)25-10-8-9-24(19-25)22-13-15-23(16-14-22)33(41)37(4)5/h8-10,13-16,19-20,27,29,39H,6-7,11-12,17-18,21H2,1-5H3,(H,35,40)/t29-,43-/m1/s1" ; chebi:inchikey "BQTKZBMOPJVAHJ-WXTZLZKPSA-N" ; chebi:mass "602.789" ; chebi:monoisotopicmass "602.29268" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12808" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclopentyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25+,29+,31-/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-BANSWPFGSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12809" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H33N3O6" ; chebi:inchi "InChI=1S/C26H33N3O6/c1-29(2)14-25(32)28-17-8-9-22-19(10-17)20-11-18(34-23(15-30)26(20)35-22)12-24(31)27-13-16-6-4-5-7-21(16)33-3/h4-10,18,20,23,26,30H,11-15H2,1-3H3,(H,27,31)(H,28,32)/t18-,20-,23+,26+/m0/s1" ; chebi:inchikey "YCZDHCVCWSKGTE-DOYXTRFRSA-N" ; chebi:mass "483.558" ; chebi:monoisotopicmass "483.23694" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-12810" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16+,22-/m1/s1" ; chebi:inchikey "ULFQVHHILZHREN-ZMPRRUGASA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12811" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21-,23-,25+/m0/s1" ; chebi:inchikey "CSQKNNUUWCECGY-YALMDMJRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12812" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_101450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H35N5O3S" ; chebi:inchi "InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-20-27(31(39)35-17-9-22-7-13-33-14-8-22)36-30(29(26)28(37)12-18-38)25-6-4-5-24(19-25)23-10-15-34-16-11-23/h4-8,10-11,13-16,19-20,28,38H,9,12,17-18,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "UNXBJJPJSXSVQI-GIEABIOQSA-N" ; chebi:mass "569.719" ; chebi:monoisotopicmass "569.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12813" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-LNRXMEIDSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12814" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22-,25+/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-ZRIJYVCPSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-12815" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27+/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-GHIUXRNCSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12816" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12816" . obo:CHEBI_101454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26-/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-NZJKTDFXSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12817" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H34N2O6" ; chebi:inchi "InChI=1S/C29H34N2O6/c32-17-26-28-24(14-22(36-26)15-27(33)31-10-7-18-3-1-2-4-20(18)16-31)23-13-21(5-6-25(23)37-28)30-29(34)19-8-11-35-12-9-19/h1-6,13,19,22,24,26,28,32H,7-12,14-17H2,(H,30,34)/t22-,24-,26+,28+/m1/s1" ; chebi:inchikey "AJGJMULVCJFZBU-GJPOJPNFSA-N" ; chebi:mass "506.591" ; chebi:monoisotopicmass "506.24169" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-12818" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21-,23-,25+,27+/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-QURKWHOCSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12819" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20+,21-/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-WUHBCXKYSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12820" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H26N4O3" ; chebi:inchi "InChI=1S/C25H26N4O3/c1-2-28-21-14-29-20(9-8-18(25(29)32)16-10-12-26-13-11-16)23(28)22(19(21)15-30)24(31)27-17-6-4-3-5-7-17/h3-13,19,21-23,30H,2,14-15H2,1H3,(H,27,31)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "OPFBOJMKCVWWQL-LGKPFJOYSA-N" ; chebi:mass "430.500" ; chebi:monoisotopicmass "430.20049" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12821" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12821" . obo:CHEBI_101459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19-,21-/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-CUWPLCDZSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12822" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_101460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19+,20+/m1/s1" ; chebi:inchikey "DINYZOMRIFESDL-AABGKKOBSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12823" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_101461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17-,18-/m1/s1" ; chebi:inchikey "JVYCUASVIANWPE-KZNAEPCWSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12824" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18+,24+/m0/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-HOOSLVGPSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-12825" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H36N4O3S" ; chebi:inchi "InChI=1S/C32H36N4O3S/c1-32(2,3)40(39)36-21-26-19-27(31(38)35-14-5-4-6-15-35)34-30(29(26)28(36)13-16-37)25-12-8-11-24(18-25)23-10-7-9-22(17-23)20-33/h7-12,17-19,28,37H,4-6,13-16,21H2,1-3H3/t28-,40-/m0/s1" ; chebi:inchikey "QJZRVXNBJYVZFW-KJKFISAKSA-N" ; chebi:mass "556.721" ; chebi:monoisotopicmass "556.25081" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12826" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21+/m1/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-PBEJRMEISA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12827" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_101465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17+,19+/m1/s1" ; chebi:inchikey "NONDGOMIDWLUNU-AOIWGVFYSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12828" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21-/m1/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-VWKPWSFCSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12829" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28-/m1/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-MCQPEXAWSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12830" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_101468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "QARSUPNDRVVANH-STSQHVNTSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12831" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C32H39N3O5" ; chebi:inchi "InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23-,30+/m1/s1" ; chebi:inchikey "BRMWAKMKOMKLLH-JWUQWVJQSA-N" ; chebi:mass "545.670" ; chebi:monoisotopicmass "545.28897" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12832" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12832" . obo:CHEBI_101470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16-,20+/m0/s1" ; chebi:inchikey "XOJAHRJNCMVABE-TWOQFEAHSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12833" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18-,23+/m0/s1" ; chebi:inchikey "NINYSMYJRLQSCV-IUKKYPGJSA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12834" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O6S" ; chebi:inchi "InChI=1S/C28H40N4O6S/c1-18(2)29-28(34)32-15-20(4)26(37-7)16-31(6)27(33)24-14-22(10-13-25(24)38-17-21(32)5)30-39(35,36)23-11-8-19(3)9-12-23/h8-14,18,20-21,26,30H,15-17H2,1-7H3,(H,29,34)/t20-,21+,26-/m1/s1" ; chebi:inchikey "AEHXNEHGWHBDEN-YZIHRLCOSA-N" ; chebi:mass "560.708" ; chebi:monoisotopicmass "560.26686" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12835" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17+,18-/m0/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-QGTPRVQTSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-12836" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_101474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-32-24-7-6-21(17-27(34)30-9-3-10-33-11-13-37-14-12-33)39-26(24)19-38-25-8-5-20(16-23(25)29(32)36)31-28(35)18-22-4-2-15-40-22/h2,4-5,8,15-16,21,24,26H,3,6-7,9-14,17-19H2,1H3,(H,30,34)(H,31,35)/t21-,24-,26-/m1/s1" ; chebi:inchikey "CJRLOTNMWBMMLN-YMVVMYQSSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12837" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-CUVVAGTFSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12838" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12838" . obo:CHEBI_101476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28-,31+/m0/s1" ; chebi:inchikey "BRDKARYWUSDFKE-CWFQFANUSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12839" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-24-19-26(30(38)35-14-12-34(4)13-15-35)33-29(28(24)27(36)11-16-37)23-9-5-7-21(17-23)22-8-6-10-25(32)18-22/h5-10,17-19,27,37H,11-16,20H2,1-4H3/t27-,40?/m0/s1" ; chebi:inchikey "BKCTXULBENSKFX-OVCFAJSKSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12840" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18-/m0/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-DEYYWGMASA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12841" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22+,24+/m1/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-SFLYRZDNSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12842" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16-,20+/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-QINHECLXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12843" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H29F2N5O4" ; chebi:inchi "InChI=1S/C24H29F2N5O4/c1-29(2)10-4-9-27-23(34)21-15(13-32)19-12-30-18(5-3-6-20(30)33)22(21)31(19)24(35)28-17-11-14(25)7-8-16(17)26/h3,5-8,11,15,19,21-22,32H,4,9-10,12-13H2,1-2H3,(H,27,34)(H,28,35)/t15-,19-,21+,22+/m1/s1" ; chebi:inchikey "CIBCEUNPWMQAQP-VVBCARDSSA-N" ; chebi:mass "489.516" ; chebi:monoisotopicmass "489.21876" ; chebi:smiles "CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12844" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12844" . obo:CHEBI_101482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21-,23+/m1/s1" ; chebi:inchikey "TVZJESBMTOHXDE-LHWDRQQYSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12845" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C26H36N2O3" ; chebi:inchi "InChI=1S/C26H36N2O3/c1-5-14-27(4)16-25-19(2)15-28(20(3)17-29)26(30)24-13-9-8-12-23(24)22-11-7-6-10-21(22)18-31-25/h6-13,19-20,25,29H,5,14-18H2,1-4H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "ZBAWZCZLBCSXDL-OHUGHZGNSA-N" ; chebi:mass "424.577" ; chebi:monoisotopicmass "424.27259" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO1)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-12846" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12846" . obo:CHEBI_101484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18+,19+,20-/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-NMLBUPMWSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12847" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27+,29+/m0/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-BOSLPAGOSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12848" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H31ClN2O6S" ; chebi:inchi "InChI=1S/C25H31ClN2O6S/c1-17-6-2-5-9-24(17)35(31,32)28-14-19(29)15-33-16-23-22(28)11-10-20(34-23)12-25(30)27-13-18-7-3-4-8-21(18)26/h2-9,19-20,22-23,29H,10-16H2,1H3,(H,27,30)/t19-,20+,22-,23+/m1/s1" ; chebi:inchikey "JLFHHDVKVXKGLO-SKWRMQMOSA-N" ; chebi:mass "523.043" ; chebi:monoisotopicmass "522.15914" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12849" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_101487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25+,28+,30-/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-SQBQITNPSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12850" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22+,24-/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-WNOPAQSVSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12851" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_101489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1" ; chebi:inchikey "HSJIFMVKIOATEF-GTNJKRJXSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12852" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12852" . obo:CHEBI_101490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23+,24+,25-/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-AKAGGGOCSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12853" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_101491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18+/m1/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-LBTNJELSSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12854" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20-/m1/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-GQIGUUNPSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12855" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19-/m1/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-CEXWTWQISA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12856" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19+,21-/m0/s1" ; chebi:inchikey "PZXWXIAUASIELU-DSKINZAPSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12857" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31-/m1/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-HZBLSIGESA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12858" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-GMOZNSKDSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12859" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12859" . obo:CHEBI_101497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17-,21-/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-QLVMHMETSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@H]([C@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12860" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,3R,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C31H36N2O4" ; chebi:inchi "InChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VEXUQYCDGUTBQK-VDWGHMIBSA-N" ; chebi:mass "500.630" ; chebi:monoisotopicmass "500.26751" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12861" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12861" . obo:CHEBI_101499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m1/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-VVBPWWLESA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12862" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_1015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33557 . _:b1106 rdf:type owl:Restriction . obo:CHEBI_1015 rdfs:subClassOf _:b1106 . _:b1106 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_15942 . obo:CHEBI_1015 obo:IAO_0000115 "An aminobenzenesulfonic acid carrying an amino group at position 2." ; chebi:charge "0" ; chebi:formula "C6H7NO3S" ; chebi:inchi "InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)" ; chebi:inchikey "ZMCHBSMFKQYNKA-UHFFFAOYSA-N" ; chebi:mass "173.19072" ; chebi:monoisotopicmass "173.01466" ; chebi:smiles "Nc1ccccc1S(O)(=O)=O" ; oboInOwl:hasDbXref "Beilstein:1309204" ; oboInOwl:hasDbXref "CAS:88-21-1" ; oboInOwl:hasDbXref "Gmelin:241097" ; oboInOwl:hasDbXref "KEGG:C06333" ; oboInOwl:hasDbXref "MetaCyc:2-AMINOBENZENESULFONATE" ; oboInOwl:hasDbXref "PMID:20638913" ; oboInOwl:hasDbXref "PMID:23392615" ; oboInOwl:hasDbXref "Reaxys:1309204" ; oboInOwl:hasExactSynonym "2-Aminobenzenesulfonic acid" ; oboInOwl:hasExactSynonym "2-aminobenzenesulfonic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1-aminobenzene-2-sulfonic acid" ; oboInOwl:hasRelatedSynonym "2-sulfanilic acid" ; oboInOwl:hasRelatedSynonym "Orthanilic acid" ; oboInOwl:hasRelatedSynonym "aniline-o-sulfonic acid" ; oboInOwl:hasRelatedSynonym "aniline-o-sulphonic acid" ; oboInOwl:hasRelatedSynonym "o-Aminobenzenesulfonic acid" ; oboInOwl:hasRelatedSynonym "o-sulfanilic acid" ; oboInOwl:id "CHEBI:1015" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-aminobenzenesulfonic acid" . _:b1107 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1309204" ; rdfs:label "Beilstein" . _:b1108 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88-21-1" ; rdfs:label "ChemIDplus" . _:b1109 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88-21-1" ; rdfs:label "KEGG COMPOUND" . _:b1110 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88-21-1" ; rdfs:label "NIST Chemistry WebBook" . _:b1111 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:241097" ; rdfs:label "Gmelin" . _:b1112 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20638913" ; rdfs:label "Europe PMC" . _:b1113 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23392615" ; rdfs:label "Europe PMC" . _:b1114 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1309204" ; rdfs:label "Reaxys" . _:b1115 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-Aminobenzenesulfonic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1116 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-aminobenzenesulfonic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1117 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-aminobenzene-2-sulfonic acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1118 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-sulfanilic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1119 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Orthanilic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1120 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aniline-o-sulfonic acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1121 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "aniline-o-sulphonic acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1122 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "o-Aminobenzenesulfonic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1123 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1015 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "o-sulfanilic acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_10150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26267 ; rdfs:subClassOf obo:CHEBI_72010 . _:b1124 rdf:type owl:Restriction . obo:CHEBI_10150 rdfs:subClassOf _:b1124 . _:b1124 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10150 obo:IAO_0000115 "A proanthocyanidin isolated from Cinnamomum cassia." ; chebi:charge "0" ; chebi:formula "C90H74O36" ; chebi:inchi "InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1" ; chebi:inchikey "UUOWTYGESRVWCF-WKWFDMPLSA-N" ; chebi:mass "1731.52900" ; chebi:monoisotopicmass "1730.39598" ; chebi:smiles "O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1" ; oboInOwl:hasDbXref "CAS:88847-05-6" ; oboInOwl:hasDbXref "KEGG:C10222" ; oboInOwl:hasDbXref "KNApSAcK:C00002918" ; oboInOwl:hasDbXref "Reaxys:5696286" ; oboInOwl:hasExactSynonym "(1(2)R,1(3)R,1(4)R,2(2)R,2(3)R,2(4)R,3(2)R,3(3)R,3(4)R,4(2)R,4(3)R,4(4)R,5(2)R,5(3)R,5(4)S,6(2)R,6(3)R)-1(2),2(2),3(2),4(2),5(2),6(2)-hexakis(3,4-dihydroxyphenyl)-1(3),1(4),2(3),2(4),3(3),3(4),4(3),4(4),5(3),5(4),6(3),6(4)-dodecahydro-1(2)H,2(2)H,3(2)H,4(2)H,5(2)H,6(2)H-[1(4),2(8):2(4),3(8):3(4),4(8):4(4),5(8):5(4),6(8)-sexi-1-benzopyran]-1(3),1(5),1(7),2(3),2(5),2(7),3(3),3(5),3(7),4(3),4(5),4(7),5(3),5(5),5(7),6(3),6(5),6(7)-octadecol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10150" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "[epicatechin-(4beta->8)]5-epicatechin" . _:b1125 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10150 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:88847-05-6" ; rdfs:label "KEGG COMPOUND" . _:b1126 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10150 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:5696286" ; rdfs:label "Reaxys" . _:b1127 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10150 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(1(2)R,1(3)R,1(4)R,2(2)R,2(3)R,2(4)R,3(2)R,3(3)R,3(4)R,4(2)R,4(3)R,4(4)R,5(2)R,5(3)R,5(4)S,6(2)R,6(3)R)-1(2),2(2),3(2),4(2),5(2),6(2)-hexakis(3,4-dihydroxyphenyl)-1(3),1(4),2(3),2(4),3(3),3(4),4(3),4(4),5(3),5(4),6(3),6(4)-dodecahydro-1(2)H,2(2)H,3(2)H,4(2)H,5(2)H,6(2)H-[1(4),2(8):2(4),3(8):3(4),4(8):4(4),5(8):5(4),6(8)-sexi-1-benzopyran]-1(3),1(5),1(7),2(3),2(5),2(7),3(3),3(5),3(7),4(3),4(5),4(7),5(3),5(5),5(7),6(3),6(5),6(7)-octadecol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_101500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28+/m1/s1" ; chebi:inchikey "KPGMTKVYFCJESC-RJRADHEHSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12863" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18+/m0/s1" ; chebi:inchikey "YJKUDHPPBXQQCK-XYJFISCASA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "CN(C)CC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC" ; oboInOwl:hasDbXref "LINCS:LSM-12864" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19+,20-/m0/s1" ; chebi:inchikey "IDLNHXHJUITYBI-HAGHYFMRSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12865" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H24FN3O3" ; chebi:inchi "InChI=1S/C23H24FN3O3/c24-19-3-1-2-18(12-19)16-4-6-17(7-5-16)23-20(13-25)27(21(23)15-28)22(29)14-26-8-10-30-11-9-26/h1-7,12,20-21,23,28H,8-11,14-15H2/t20-,21-,23+/m0/s1" ; chebi:inchikey "DLEHFJVYHARQFS-QNWVGRARSA-N" ; chebi:mass "409.454" ; chebi:monoisotopicmass "409.18017" ; chebi:smiles "C1COCCN1CC(=O)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12866" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile" . obo:CHEBI_101504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18+,24+/m1/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-YTZAWJCFSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12867" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H33N3O5" ; chebi:inchi "InChI=1S/C23H33N3O5/c1-25(2)13-21(28)24-15-6-7-19-17(10-15)18-11-16(30-20(14-27)23(18)31-19)12-22(29)26-8-4-3-5-9-26/h6-7,10,16,18,20,23,27H,3-5,8-9,11-14H2,1-2H3,(H,24,28)/t16-,18-,20+,23+/m1/s1" ; chebi:inchikey "MRLAOALNSBFOMY-DUCQWWKISA-N" ; chebi:mass "431.526" ; chebi:monoisotopicmass "431.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12868" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c1-17(18-5-3-2-4-6-18)34-27(38)15-22-14-24-23-13-21(11-12-25(23)41-28(24)26(16-37)40-22)36-29(39)35-20-9-7-19(8-10-20)30(31,32)33/h2-13,17,22,24,26,28,37H,14-16H2,1H3,(H,34,38)(H2,35,36,39)/t17-,22-,24-,26+,28+/m0/s1" ; chebi:inchikey "HZCFRKFPOJNJBV-IFGFJRRUSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12869" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-12-7-6-8-13-28)37-32(31(27)30(39)18-19-40)26-11-9-10-25(20-26)23-14-16-24(17-15-23)34(42)38(4)5/h9-11,14-17,20-21,28,30,40H,6-8,12-13,18-19,22H2,1-5H3,(H,36,41)/t30-,44-/m1/s1" ; chebi:inchikey "BMIDXELBLGAQFU-FSZSIQPOSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12870" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H25N3O4" ; chebi:inchi "InChI=1S/C25H25N3O4/c1-32-25(31)23-20(15-29)19-14-27-21(22(19)28(23)13-17-9-5-6-12-26-17)11-10-18(24(27)30)16-7-3-2-4-8-16/h2-12,19-20,22-23,29H,13-15H2,1H3/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "HHLLHWFWRSRSTM-RLBLXZPPSA-N" ; chebi:mass "431.485" ; chebi:monoisotopicmass "431.18451" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1CC5=CC=CC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12871" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-phenyl-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_101509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18+/m1/s1" ; chebi:inchikey "VZLRHERICGIZBB-SQNIBIBYSA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12872" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_10151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_28407 ; chebi:formula "C55H91O7P2(C40H64N8O21)n" ; oboInOwl:hasDbXref "KEGG:C11827" ; oboInOwl:hasDbXref "KEGG:G10557" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "undecaprenyldiphospho-[N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-gamma-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine]n" . obo:CHEBI_101510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27+/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-CLCZQPDDSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-12873" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-HYFFOGBASA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12874" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21-/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-WFXMLNOXSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12875" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m1/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-OJLQRUNKSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12876" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_101514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21+,22+,23-/m1/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-WZYRSQIMSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-12877" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23+,30-/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-DUELTEGESA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12878" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12878" . obo:CHEBI_101516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-KJJMTIBFSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12879" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-PNLZDCPESA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12880" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26-,28+/m0/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-YFRXONQNSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-12881" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-OXFDMBILSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12882" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12882" . obo:CHEBI_10152 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37790 ; owl:deprecated true . obo:CHEBI_101520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18+,19-,20+/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-WCIQWLHISA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12883" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C28H37N3O7S" ; chebi:inchi "InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26-,27+/m0/s1" ; chebi:inchikey "JIBJCGLYXNSLDN-DAANFHMWSA-N" ; chebi:mass "559.676" ; chebi:monoisotopicmass "559.23522" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-12884" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-ZLLBNUPZSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12885" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22-/m0/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-HOIFWPIMSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12886" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O4" ; chebi:inchi "InChI=1S/C21H33N3O4/c1-6-7-20(25)23-16-8-9-17-18(10-16)28-13-15(3)22-11-14(2)19(27-5)12-24(4)21(17)26/h8-10,14-15,19,22H,6-7,11-13H2,1-5H3,(H,23,25)/t14-,15+,19-/m1/s1" ; chebi:inchikey "AZDABJQXNZGANX-ZRGWGRIASA-N" ; chebi:mass "391.505" ; chebi:monoisotopicmass "391.24711" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN[C@H](CO2)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12887" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27N5O5" ; chebi:inchi "InChI=1S/C26H27N5O5/c1-29(2)26(35)22-18(14-32)21-13-30-20(23(22)31(21)25(34)19-12-27-10-11-28-19)9-8-17(24(30)33)15-4-6-16(36-3)7-5-15/h4-12,18,21-23,32H,13-14H2,1-3H3/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "BKGRDMUHEKXYSB-XSEFMFLKSA-N" ; chebi:mass "489.524" ; chebi:monoisotopicmass "489.20122" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@H]1N2C(=O)C5=NC=CN=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12888" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12888" . obo:CHEBI_101526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19-/m0/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-FCEWJHQRSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12889" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-17-14-29(3)18(2)16-35-22-12-11-19(13-20(22)25(31)30(4)15-24(17)34-6)27-26(32)28-21-9-7-8-10-23(21)33-5/h7-13,17-18,24H,14-16H2,1-6H3,(H2,27,28,32)/t17-,18+,24+/m0/s1" ; chebi:inchikey "MQWQDAVBIBJDRV-HOOSLVGPSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12890" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-methoxyphenyl)-3-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c32-16-24-27-22(13-20(35-24)14-25(33)30-15-19-3-1-2-8-29-19)21-12-18(4-5-23(21)36-27)31-26(34)11-17-6-9-28-10-7-17/h1-10,12,20,22,24,27,32H,11,13-16H2,(H,30,33)(H,31,34)/t20-,22+,24+,27-/m1/s1" ; chebi:inchikey "NURZYHIHZDJTSB-LQZFSELZSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12891" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14-/m1/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-LERXQTSPSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-12892" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_101530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c26-20-9-5-4-8-16(20)17-10-11-21-22-18(13-29(21)25(17)32)19(14-30)23(28-22)24(31)27-12-15-6-2-1-3-7-15/h4-5,8-11,15,18-19,22-23,28,30H,1-3,6-7,12-14H2,(H,27,31)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "IZVHJOOQVCWXPA-PJIZGREPSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "C1CCC(CC1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]3N2)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12893" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21+,23-/m0/s1" ; chebi:inchikey "SOARVSRWKWCBLL-GBPFJNKXSA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-12894" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H21N3O2" ; chebi:inchi "InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20+,21+/m1/s1" ; chebi:inchikey "MYJKJHLNWUIKMG-HKBOAZHASA-N" ; chebi:mass "359.422" ; chebi:monoisotopicmass "359.16338" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12895" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_101533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-MANSERQUSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-12896" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19+,21+,24-/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-OFYLTFBOSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-12897" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "HWYKCLATECFWDF-UMEGOILYSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26+/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-SKBVVQJISA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12899" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_101537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23-/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-VABKMULXSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12900" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_101538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22+,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-UDIRQSBCSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12901" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22-/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-SVMVAKDDSA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12902" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_10154 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17726 ; owl:deprecated true . obo:CHEBI_101540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-BSRJHKFKSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12903" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O4S" ; chebi:inchi "InChI=1S/C31H37N3O4S/c1-6-8-21-9-7-10-23(17-21)29-28-24(20-34(27(28)15-16-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-13-25(38-5)14-12-22/h6-14,17-18,27,35H,15-16,19-20H2,1-5H3,(H,32,36)/t27-,39-/m1/s1" ; chebi:inchikey "CHUUKIFYUQSEQP-GAZSAWIUSA-N" ; chebi:mass "547.710" ; chebi:monoisotopicmass "547.25048" ; chebi:smiles "CC=CC1=CC=CC(=C1)C2=C3[C@H](N(CC3=CC(=N2)C(=O)NCC4=CC=C(C=C4)OC)[S@](=O)C(C)(C)C)CCO" ; oboInOwl:hasDbXref "LINCS:LSM-12904" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12904" . obo:CHEBI_101542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20-/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-WSTZPKSXSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12905" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_101543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-27-15-7-5-14(6-8-15)22-20(26)23-17-10-9-16(28-18(17)12-24)11-19(25)21-13-3-2-4-13/h5-8,13,16-18,24H,2-4,9-12H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18-/m1/s1" ; chebi:inchikey "OPNJNCHASNUPJL-FGTMMUONSA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NC3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12906" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclobutyl-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18-,20+/m1/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-GGPKGHCWSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12907" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_101545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "HWYKCLATECFWDF-DFIYOIEZSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12908" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30-/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-JYUFKMNQSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12909" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-YXPKMTABSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-12910" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-HUOQQOJOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12911" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_101549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22-/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-JBYIUTFZSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12912" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_101550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H34FN3O5" ; chebi:inchi "InChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18+,24+/m0/s1" ; chebi:inchikey "DMFJOGMIMQDBLX-HOOSLVGPSA-N" ; chebi:mass "475.554" ; chebi:monoisotopicmass "475.24825" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12913" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24-,25+/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-CCDWMCETSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12914" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C27H30N4O5" ; chebi:inchi "InChI=1S/C27H30N4O5/c32-16-20-22-15-30-21(6-5-19(26(30)34)17-3-1-2-4-17)24(23(20)27(35)29-11-13-36-14-12-29)31(22)25(33)18-7-9-28-10-8-18/h3,5-10,20,22-24,32H,1-2,4,11-16H2/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "COTUBAWVYSPTNF-AZOUXBGGSA-N" ; chebi:mass "490.552" ; chebi:monoisotopicmass "490.22162" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4C(=O)C5=CC=NC=C5)CN3C2=O)CO)C(=O)N6CCOCC6" ; oboInOwl:hasDbXref "LINCS:LSM-12915" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12915" . obo:CHEBI_101553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-HMFYCAOWSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12916" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H46F3N3O5" ; chebi:inchi "InChI=1S/C33H46F3N3O5/c1-23-19-39(24(2)22-40)32(42)28-18-27(37-31(41)15-16-33(34,35)36)13-14-29(28)44-25(3)10-8-9-17-43-30(23)21-38(4)20-26-11-6-5-7-12-26/h5-7,11-14,18,23-25,30,40H,8-10,15-17,19-22H2,1-4H3,(H,37,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "OMPYFAIFRLVIFJ-DNHJLFCISA-N" ; chebi:mass "621.732" ; chebi:monoisotopicmass "621.33896" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12917" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_101555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-20-11-17(26-33(29,30)22-8-6-5-7-19(22)24)9-10-18(20)23(28)27(3)13-21(15)31-4/h5-11,15-16,21,25-26H,12-14H2,1-4H3/t15-,16+,21+/m1/s1" ; chebi:inchikey "DHNAZJFKQHWVTC-XFQAVAEZSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12918" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24+,26-,28-/m0/s1" ; chebi:inchikey "AAXDVORIQTTZBB-BQGAEBSMSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12919" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26-/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-UYPAYLBCSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12920" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C15H19NO5" ; chebi:inchi "InChI=1S/C15H19NO5/c1-19-14(18)6-9-5-11-10-4-8(16)2-3-12(10)21-15(11)13(7-17)20-9/h2-4,9,11,13,15,17H,5-7,16H2,1H3/t9-,11-,13+,15+/m0/s1" ; chebi:inchikey "HQNYHUFQGPMYGV-SQWGHXPGSA-N" ; chebi:mass "293.316" ; chebi:monoisotopicmass "293.12632" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)N" ; oboInOwl:hasDbXref "LINCS:LSM-12921" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19-,20-/m1/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-VAMGGRTRSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12922" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,3R,6S)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-AQNXPRMDSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasDbXref "LINCS:LSM-12923" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_101561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-QRVBRYPASA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12924" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_101562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29-,31-/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-GQUBXBKDSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-12925" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_101563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22+/m1/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-HLFMIMNKSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12926" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H25N5O4" ; chebi:inchi "InChI=1S/C26H25N5O4/c32-14-19-18-13-30-21(6-3-7-22(30)33)23(18)31(26(35)20-12-27-8-9-28-20)24(19)25(34)29-17-10-15-4-1-2-5-16(15)11-17/h1-9,12,17-19,23-24,32H,10-11,13-14H2,(H,29,34)/t18-,19-,23+,24-/m0/s1" ; chebi:inchikey "UFMLPCAJUBVDJE-TWXAQOBRSA-N" ; chebi:mass "471.509" ; chebi:monoisotopicmass "471.19065" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)C(=O)C4=NC=CN=C4)C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12927" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(25(32)19-6-8-20(27)9-7-19)17(2)15-35-23-11-10-21(28-18(3)31)12-22(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17-,24+/m0/s1" ; chebi:inchikey "OZIBRDAYFOJMNO-WOGXIUBCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12928" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O4" ; chebi:inchi "InChI=1S/C24H37N3O4/c1-16-13-25-17(2)15-31-21-11-10-19(26-23(28)18-8-6-5-7-9-18)12-20(21)24(29)27(3)14-22(16)30-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H,26,28)/t16-,17-,22+/m0/s1" ; chebi:inchikey "WWIWLTDSUPVNED-PNLZDCPESA-N" ; chebi:mass "431.569" ; chebi:monoisotopicmass "431.27841" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12929" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_101567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19-/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-SPYBWZPUSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12930" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_101568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25+,27+,29-/m0/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-ZVFGGPEJSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12931" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-18-14-30(26(32)20-9-7-6-8-10-20)19(2)16-36-23-12-11-21(28-25(31)17-34-4)13-22(23)27(33)29(3)15-24(18)35-5/h6-13,18-19,24H,14-17H2,1-5H3,(H,28,31)/t18-,19-,24+/m0/s1" ; chebi:inchikey "JFYAEFCKASRCBE-AXHZCLLHSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12932" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_10157 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15981 ; owl:deprecated true . obo:CHEBI_101570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H23FN2O6" ; chebi:inchi "InChI=1S/C26H23FN2O6/c1-35-15-8-6-14(7-9-15)16-10-11-20-23-22(26(33)34)18(13-30)21(12-28(20)24(16)31)29(23)25(32)17-4-2-3-5-19(17)27/h2-11,18,21-23,30H,12-13H2,1H3,(H,33,34)/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "HJRLJVUTEJWJEN-QQUTXWOLSA-N" ; chebi:mass "478.470" ; chebi:monoisotopicmass "478.15401" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4C(=O)C5=CC=CC=C5F)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-12933" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12933" . obo:CHEBI_101571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21+,23-/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-RZFNWQHOSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12934" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-16-13-25-17(2)15-33-20-11-10-18(12-19(20)24(28)27(3)14-22(16)32-5)26-34(29,30)23-9-7-6-8-21(23)31-4/h6-12,16-17,22,25-26H,13-15H2,1-5H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "VZMYSNMKMPUTCO-GSHUGGBRSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12935" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H33N3O6" ; chebi:inchi "InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25-,27-,29+/m0/s1" ; chebi:inchikey "FOSRSIPYUZSGIW-HGAMEBRSSA-N" ; chebi:mass "531.601" ; chebi:monoisotopicmass "531.23694" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12936" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22-/m0/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-KBZIOIMTSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-12937" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H37N5O3S" ; chebi:inchi "InChI=1S/C32H37N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)36-15-13-35(4)14-16-36)34-30(29(26)28(37)12-17-38)25-7-5-6-24(18-25)23-10-8-22(20-33)9-11-23/h5-11,18-19,28,38H,12-17,21H2,1-4H3/t28-,41-/m1/s1" ; chebi:inchikey "QBIQCDDCSMFVTJ-GIEABIOQSA-N" ; chebi:mass "571.735" ; chebi:monoisotopicmass "571.26171" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-12938" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile" . obo:CHEBI_101576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11+,12+,13-/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-LOWDOPEQSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12939" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19+/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-AOIWGVFYSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-12940" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_101578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24+,26-,29-/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-NAZHIZFTSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-12941" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-PFPZSTESSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12942" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12942" . obo:CHEBI_101580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-8-25(32)29-21-10-11-22-23(13-21)36-17-19(3)31(26(33)20-9-7-12-28-14-20)15-18(2)24(35-5)16-30(4)27(22)34/h7,9-14,18-19,24H,6,8,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1" ; chebi:inchikey "IERCBNABLGDWRK-GLDPYIMESA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-12943" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25ClN2O7S" ; chebi:inchi "InChI=1S/C23H25ClN2O7S/c1-26-18-9-8-15(12-22(27)31-2)33-20(18)13-32-19-10-7-14(11-16(19)23(26)28)25-34(29,30)21-6-4-3-5-17(21)24/h3-7,10-11,15,18,20,25H,8-9,12-13H2,1-2H3/t15-,18-,20+/m1/s1" ; chebi:inchikey "QTFAPORQFWHYLC-ZTNFWEORSA-N" ; chebi:mass "508.974" ; chebi:monoisotopicmass "508.10710" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12944" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22+,24-/m1/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-JCTONOIOSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12945" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_101583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26-,28-/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-WSHBGFIESA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-12946" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_101584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19-,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-QOJCHSLYSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-12947" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12947" . obo:CHEBI_101585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17-,18-/m1/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-KZNAEPCWSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12948" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_101586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19-/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-FHWLQOOXSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-12949" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m0/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-OSWQYVSFSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12950" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12950" . obo:CHEBI_101588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m1/s1" ; chebi:inchikey "FSCHPCZBUZXFPL-TWEZTRHFSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-12951" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H22N2O3" ; chebi:inchi "InChI=1S/C24H22N2O3/c1-29-22-5-3-2-4-17(22)9-6-16-7-10-18(11-8-16)23-20(14-25)26(21(23)15-27)24(28)19-12-13-19/h2-5,7-8,10-11,19-21,23,27H,12-13,15H2,1H3/t20-,21+,23-/m0/s1" ; chebi:inchikey "VFHDDKSZNLSDOB-XJUOHMSHSA-N" ; chebi:mass "386.444" ; chebi:monoisotopicmass "386.16304" ; chebi:smiles "COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12952" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_101590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O5" ; chebi:inchi "InChI=1S/C21H28Cl2N2O5/c22-15-9-14(10-16(23)11-15)20(27)24-6-3-17-1-2-18(19(12-26)30-17)25-21(28)13-4-7-29-8-5-13/h9-11,13,17-19,26H,1-8,12H2,(H,24,27)(H,25,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "BBKVVMQWFBDXMC-GBESFXJTSA-N" ; chebi:mass "459.364" ; chebi:monoisotopicmass "458.13753" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)C2=CC(=CC(=C2)Cl)Cl)CO)NC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12953" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_101591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H38N4O4" ; chebi:inchi "InChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m1/s1" ; chebi:inchikey "JVYCUASVIANWPE-SQNIBIBYSA-N" ; chebi:mass "398.541" ; chebi:monoisotopicmass "398.28931" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)CCN2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-12954" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17+,18+/m0/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-RCCFBDPRSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12955" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N3O5" ; chebi:inchi "InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-12-11-22(28-20(3)31)13-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m1/s1" ; chebi:inchikey "ZMJDYVBEASXUEV-MVYHEMRASA-N" ; chebi:mass "483.601" ; chebi:monoisotopicmass "483.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3OC" ; oboInOwl:hasDbXref "LINCS:LSM-12956" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19+,25-/m0/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-CEYNDMKZSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-12957" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5R,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20-/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-ZCNNSNEGSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12958" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13-/m1/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-JIMOISOXSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasDbXref "LINCS:LSM-12959" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_101597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-30-13-19(28)25-20-15(11-24-17(20)8-5-9-18(24)27)16(12-26)21(25)22(29)23-10-14-6-3-2-4-7-14/h2-9,15-16,20-21,26H,10-13H2,1H3,(H,23,29)/t15-,16-,20+,21-/m0/s1" ; chebi:inchikey "DTBBLQRMWRNBOL-AFMUBRCDSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "COCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)NCC4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12960" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-(phenylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H34N4O5S" ; chebi:inchi "InChI=1S/C24H34N4O5S/c1-25-10-12-26(13-11-25)24(31)21-18(15-29)20-14-27-19(22(21)28(20)34(2,32)33)9-8-17(23(27)30)16-6-4-3-5-7-16/h6,8-9,18,20-22,29H,3-5,7,10-15H2,1-2H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "NRVZDTJJXPAHOA-YJMBLLCNSA-N" ; chebi:mass "490.618" ; chebi:monoisotopicmass "490.22499" ; chebi:smiles "CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12961" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12961" . obo:CHEBI_101599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22-/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-DRSNIGMVSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12962" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_1016 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27822 ; owl:deprecated true . obo:CHEBI_101600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H26N2O5" ; chebi:inchi "InChI=1S/C18H26N2O5/c1-12(22)20-16-7-6-15(25-17(16)11-21)9-18(23)19-10-13-4-3-5-14(8-13)24-2/h3-5,8,15-17,21H,6-7,9-11H2,1-2H3,(H,19,23)(H,20,22)/t15-,16+,17+/m1/s1" ; chebi:inchikey "QHWKOKDSIMAAGX-IKGGRYGDSA-N" ; chebi:mass "350.410" ; chebi:monoisotopicmass "350.18417" ; chebi:smiles "CC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12963" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H36N4O4S" ; chebi:inchi "InChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-26-19-28(32(39)35-20-22-7-5-10-27(17-22)41-4)36-31(30(26)29(37)13-16-38)25-9-6-8-24(18-25)23-11-14-34-15-12-23/h5-12,14-15,17-19,29,38H,13,16,20-21H2,1-4H3,(H,35,39)/t29-,42-/m0/s1" ; chebi:inchikey "GIUILNXHKTVBSA-WHAQVLKXSA-N" ; chebi:mass "584.731" ; chebi:monoisotopicmass "584.24573" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12964" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-2-28-22-19(20(15-30)23(28)25(32)27-11-4-3-5-12-27)14-29-21(22)10-9-18(24(29)31)16-7-6-8-17(26)13-16/h6-10,13,19-20,22-23,30H,2-5,11-12,14-15H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "IVBSCMTWKAMHGA-YXPKMTABSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)N5CCCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12965" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-ethyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_101603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22+/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-JAXLGGSGSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-12966" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22+,24+/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-NROSNUSPSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-12967" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H23F4N3O3" ; chebi:inchi "InChI=1S/C22H23F4N3O3/c23-14-6-4-13(5-7-14)10-27-21(32)20-16(12-30)15-11-29-17(2-1-3-18(29)31)19(15)28(20)9-8-22(24,25)26/h1-7,15-16,19-20,30H,8-12H2,(H,27,32)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "CPSLJULDKOVODL-YAJHFMINSA-N" ; chebi:mass "453.431" ; chebi:monoisotopicmass "453.16755" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=CC(=O)N31)CCC(F)(F)F)C(=O)NCC4=CC=C(C=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12968" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m0/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-JXQFQVJHSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12969" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17-,18-/m1/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-KZNAEPCWSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12970" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-JKSBSHDWSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12971" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_101609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1" ; chebi:inchikey "FKMAUGDURCCEJG-CHWFTXMASA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-12972" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m0/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-NPPFBWRTSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-12973" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_101611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18+,19-/m0/s1" ; chebi:inchikey "ANDSQWRABKLSGR-OTWHNJEPSA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12974" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H31N3O5S" ; chebi:inchi "InChI=1S/C19H31N3O5S/c1-13-10-21(3)14(2)12-27-17-8-7-15(20-28(6,24)25)9-16(17)19(23)22(4)11-18(13)26-5/h7-9,13-14,18,20H,10-12H2,1-6H3/t13-,14-,18+/m0/s1" ; chebi:inchikey "DDFPKKGQTCCPIA-SUNYJGFJSA-N" ; chebi:mass "413.533" ; chebi:monoisotopicmass "413.19844" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12975" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20-,22-/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-NEDPJEHSSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-12976" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-RIPRBREISA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-12977" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-OSWQYVSFSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-12978" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27+/m1/s1" ; chebi:inchikey "WBCPGODJHKXDGU-JVAFGIKQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12979" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12979" . obo:CHEBI_101617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32FN3O6" ; chebi:inchi "InChI=1S/C26H32FN3O6/c1-34-23-5-3-2-4-17(23)13-28-25(32)12-21-10-11-22-24(36-21)16-35-15-20(31)14-30(22)26(33)29-19-8-6-18(27)7-9-19/h2-9,20-22,24,31H,10-16H2,1H3,(H,28,32)(H,29,33)/t20-,21-,22+,24-/m0/s1" ; chebi:inchikey "ADXBMBRYFBFALA-YCSHWKNNSA-N" ; chebi:mass "501.548" ; chebi:monoisotopicmass "501.22751" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12980" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N5O4" ; chebi:inchi "InChI=1S/C24H33N5O4/c1-16-11-29(12-19-9-25-15-26-10-19)17(2)14-33-22-8-20(27-18(3)30)6-7-21(22)24(31)28(4)13-23(16)32-5/h6-10,15-17,23H,11-14H2,1-5H3,(H,27,30)/t16-,17-,23-/m1/s1" ; chebi:inchikey "UHUINQXCHIPGNT-SEPYTNNBSA-N" ; chebi:mass "455.551" ; chebi:monoisotopicmass "455.25325" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-12981" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_101619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c1-2-11-22-20(26)23-17-9-8-16(27-18(17)14-24)13-19(25)21-12-10-15-6-4-3-5-7-15/h3-9,16-18,24H,2,10-14H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17+,18+/m1/s1" ; chebi:inchikey "UYZCTKNUILRIOW-SQNIBIBYSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "CCCNC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NCCC2=CC=CC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-12982" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "QARSUPNDRVVANH-IXFSTUDKSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-12983" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H23ClN2O5" ; chebi:inchi "InChI=1S/C18H23ClN2O5/c1-25-11-18(24)21-15-7-6-14(26-16(15)10-22)8-17(23)20-9-12-2-4-13(19)5-3-12/h2-7,14-16,22H,8-11H2,1H3,(H,20,23)(H,21,24)/t14-,15+,16-/m0/s1" ; chebi:inchikey "XHJSWNOOJCOHJI-XHSDSOJGSA-N" ; chebi:mass "382.839" ; chebi:monoisotopicmass "382.12955" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NCC2=CC=C(C=C2)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-12984" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-chlorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20+,21-/m1/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-RMVXJAJNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-12985" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_101623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21-/m0/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-CUWPLCDZSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12986" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H23F3N2O6S" ; chebi:inchi "InChI=1S/C22H23F3N2O6S/c23-22(24,25)12-26-20(29)10-14-9-17-16-8-13(27-34(30,31)15-4-2-1-3-5-15)6-7-18(16)33-21(17)19(11-28)32-14/h1-8,14,17,19,21,27-28H,9-12H2,(H,26,29)/t14-,17+,19+,21-/m1/s1" ; chebi:inchikey "AWBUKOBMSNOSJG-CUYZEOOHSA-N" ; chebi:mass "500.490" ; chebi:monoisotopicmass "500.12289" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-12987" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_101625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22-,26+,28+/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-PWGWJTMSSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-12988" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O6" ; chebi:inchi "InChI=1S/C29H39N3O6/c1-6-9-27(33)30-22-12-13-25-24(14-22)28(34)31(4)17-26(37-5)19(2)15-32(20(3)18-38-25)16-21-10-7-8-11-23(21)29(35)36/h7-8,10-14,19-20,26H,6,9,15-18H2,1-5H3,(H,30,33)(H,35,36)/t19-,20-,26-/m1/s1" ; chebi:inchikey "CYLUOSZFPYOXRH-XMERXJNXSA-N" ; chebi:mass "525.638" ; chebi:monoisotopicmass "525.28389" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3C(=O)O)C" ; oboInOwl:hasDbXref "LINCS:LSM-12989" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-5-yl]methyl]benzoic acid" . obo:CHEBI_101627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H33N3O5" ; chebi:inchi "InChI=1S/C19H33N3O5/c23-13-17-16(21-18(24)12-22-8-10-26-11-9-22)5-4-15(27-17)6-7-20-19(25)14-2-1-3-14/h14-17,23H,1-13H2,(H,20,25)(H,21,24)/t15-,16-,17-/m0/s1" ; chebi:inchikey "CARWJPWJJJMDHW-ULQDDVLXSA-N" ; chebi:mass "383.483" ; chebi:monoisotopicmass "383.24202" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12990" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N4O3" ; chebi:inchi "InChI=1S/C17H28N4O3/c1-11(2)15-9-21(20-19-15)8-7-13-5-6-14(16(10-22)24-13)18-17(23)12-3-4-12/h9,11-14,16,22H,3-8,10H2,1-2H3,(H,18,23)/t13-,14+,16-/m1/s1" ; chebi:inchikey "TWVDNKQJDYICCW-IJEWVQPXSA-N" ; chebi:mass "336.430" ; chebi:monoisotopicmass "336.21614" ; chebi:smiles "CC(C)C1=CN(N=N1)CC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-12991" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_101629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32N4O4" ; chebi:inchi "InChI=1S/C29H32N4O4/c1-32(2)28(36)20-10-8-19(9-11-20)21-12-13-24-25-22(16-33(24)29(21)37)23(17-34)26(31-25)27(35)30-15-14-18-6-4-3-5-7-18/h3-13,22-23,25-26,31,34H,14-17H2,1-2H3,(H,30,35)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "HHBAGBOVOCHPKM-VHCQPULKSA-N" ; chebi:mass "500.590" ; chebi:monoisotopicmass "500.24236" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12992" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-IECBHUPTSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12993" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H27N3O5S" ; chebi:inchi "InChI=1S/C19H27N3O5S/c23-10-17-16(22-19(25)13-4-7-26-8-5-13)2-1-15(27-17)9-18(24)20-6-3-14-11-28-12-21-14/h1-2,11-13,15-17,23H,3-10H2,(H,20,24)(H,22,25)/t15-,16-,17+/m0/s1" ; chebi:inchikey "QCPIRAQCKOOPTJ-YESZJQIVSA-N" ; chebi:mass "409.502" ; chebi:monoisotopicmass "409.16714" ; chebi:smiles "C1COCCC1C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCC3=CSC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-12994" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide" . obo:CHEBI_101632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-CADBVGFASA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-12995" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_101633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24-/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-XFAGBWLFSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-12996" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-12996" . obo:CHEBI_101634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28+/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-RCTOPIGZSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-12997" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16+,22-/m1/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-ZMPRRUGASA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-12998" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19-/m0/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-SCTDSRPQSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-12999" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18+,20-,22-/m1/s1" ; chebi:inchikey "HTNOASUNFPMBNX-HOQQESESSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13000" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-25(2)22(27)12-16-11-19-18-10-14(4-9-20(18)32-23(19)21(13-26)31-16)24-33(28,29)17-7-5-15(30-3)6-8-17/h4-10,16,19,21,23-24,26H,11-13H2,1-3H3/t16-,19-,21-,23+/m1/s1" ; chebi:inchikey "GJVLYDQXVFQAHZ-WACMXJRTSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13001" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16-,20-,22+/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-OZOIZYBVSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13002" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18-,19+/m1/s1" ; chebi:inchikey "ANDSQWRABKLSGR-QRVBRYPASA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13003" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H22N2O6" ; chebi:inchi "InChI=1S/C21H22N2O6/c24-11-18-21-16(9-14(28-18)10-20(26)27)15-8-13(1-2-17(15)29-21)23-19(25)7-12-3-5-22-6-4-12/h1-6,8,14,16,18,21,24H,7,9-11H2,(H,23,25)(H,26,27)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "ZIYVXDMGZAADAL-YZZRYBLGSA-N" ; chebi:mass "398.410" ; chebi:monoisotopicmass "398.14779" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13004" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17+,18-/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-KJWYOANISA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13005" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22+,23-,24+/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-QPXUXIHVSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13006" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16+,20-/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-GQIGUUNPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13007" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_101645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-AXHZCLLHSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13008" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13008" . obo:CHEBI_101646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN3O3" ; chebi:inchi "InChI=1S/C27H28FN3O3/c1-29(2)27(34)24-21(16-32)23-15-31-22(25(24)30(23)14-17-7-4-3-5-8-17)12-11-20(26(31)33)18-9-6-10-19(28)13-18/h3-13,21,23-25,32H,14-16H2,1-2H3/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "DPECORRGLVHITO-VGCGRUFVSA-N" ; chebi:mass "461.529" ; chebi:monoisotopicmass "461.21147" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]1N2CC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13009" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13009" . obo:CHEBI_101647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YYDVJCTNSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13010" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-22-8-4-1-5-16(22)14-29-25(33)13-19-12-21-20-11-18(31-27(34)30-17-6-2-3-7-17)9-10-23(20)36-26(21)24(15-32)35-19/h1,4-5,8-11,17,19,21,24,26,32H,2-3,6-7,12-15H2,(H,29,33)(H2,30,31,34)/t19-,21-,24-,26+/m1/s1" ; chebi:inchikey "MSBIHNOYSLVJHR-UNMCOINBSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-13011" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H27N5O3" ; chebi:inchi "InChI=1S/C26H27N5O3/c1-30-23-20(12-31-22(23)7-6-19(26(31)34)17-10-27-14-28-11-17)21(13-32)24(30)25(33)29-18-8-15-4-2-3-5-16(15)9-18/h2-7,10-11,14,18,20-21,23-24,32H,8-9,12-13H2,1H3,(H,29,33)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "DWBOFDUJFWPQPT-ZQRMPTRQSA-N" ; chebi:mass "457.525" ; chebi:monoisotopicmass "457.21139" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@@H]([C@H]1C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13012" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18+,25-/m1/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-FUMQJTLXSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13013" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_101651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-6-7-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-3-4-8-23-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "PSRJUTPUZRNONK-FDGCKHTNSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13014" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_101652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17+,18+/m1/s1" ; chebi:inchikey "BAJOMULNWMTCGT-NJAFHUGGSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13015" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_101653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H31N3O6" ; chebi:inchi "InChI=1S/C27H31N3O6/c1-35-17-23(32)30-22-15-29-21(10-9-19(26(29)33)8-7-18-5-3-2-4-6-18)25(30)24(20(22)16-31)27(34)28-11-13-36-14-12-28/h2-10,20,22,24-25,31H,11-17H2,1H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "XMUOPSKEXGVNOG-MMTHZHQFSA-N" ; chebi:mass "493.553" ; chebi:monoisotopicmass "493.22129" ; chebi:smiles "COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13016" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13016" . obo:CHEBI_101654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C18H23F3N4O4" ; chebi:inchi "InChI=1S/C18H23F3N4O4/c1-2-6-22-17(29)25-12-7-24-11(4-3-5-13(24)27)15(25)14(10(12)8-26)16(28)23-9-18(19,20)21/h3-5,10,12,14-15,26H,2,6-9H2,1H3,(H,22,29)(H,23,28)/t10-,12-,14+,15+/m0/s1" ; chebi:inchikey "YCXHAHZKXMJVEB-OBCWZRDOSA-N" ; chebi:mass "416.396" ; chebi:monoisotopicmass "416.16714" ; chebi:smiles "CCCNC(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13017" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13017" . obo:CHEBI_101655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24-/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-QZTZHPFYSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13018" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m1/s1" ; chebi:inchikey "SVQJPVUULHSFBY-ODAXIHTASA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13019" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18+,19-/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-OTWHNJEPSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13020" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_101658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m0/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-IXMDGTTKSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13021" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_101659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H33FN4O3S" ; chebi:inchi "InChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-25-17-27(31(39)35-19-24-8-4-5-12-26(24)33)36-30(29(25)28(37)13-15-38)22-10-6-9-21(16-22)23-11-7-14-34-18-23/h4-12,14,16-18,28,38H,13,15,19-20H2,1-3H3,(H,35,39)/t28-,41-/m0/s1" ; chebi:inchikey "YOONRACURWGVIS-VELXTTODSA-N" ; chebi:mass "572.695" ; chebi:monoisotopicmass "572.22574" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-13022" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H13N5O2R2" ; chebi:mass "199.211" ; chebi:monoisotopicmass "199.10692" ; chebi:smiles "NC(=N)NCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasDbXref "KEGG:C05207" ; oboInOwl:hasExactSynonym "[Myeline basic protein] L-arginine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "[Myelin basic protein]-arginine" ; oboInOwl:id "CHEBI:10166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Myeline basic protein] L-arginine" . _:b1128 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10166 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Myeline basic protein] L-arginine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1129 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[Myelin basic protein]-arginine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-BZUAXINKSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13023" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O4S" ; chebi:inchi "InChI=1S/C27H35N3O4S/c1-7-34-26(32)22-17-21-18-30(35(33)27(2,3)4)23(13-15-31)24(21)25(28-22)20-12-8-10-19(16-20)11-9-14-29(5)6/h8,10,12,16-17,23,31H,7,13-15,18H2,1-6H3/t23-,35?/m1/s1" ; chebi:inchikey "GWVPGXSETGAAGJ-MMHRDOBHSA-N" ; chebi:mass "497.652" ; chebi:monoisotopicmass "497.23483" ; chebi:smiles "CCOC(=O)C1=NC(=C2[C@H](N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C#CCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13024" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester" . obo:CHEBI_101662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22-,24+,26+/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-GUAAGHCTSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13025" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_101663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-GRTAZNFBSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13026" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "FDINZZIDFRBVPX-YRNRMSPPSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13027" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H22FN3O4" ; chebi:inchi "InChI=1S/C21H22FN3O4/c1-12(27)25-19-14(10-24-17(19)7-4-8-18(24)28)15(11-26)20(25)21(29)23-9-13-5-2-3-6-16(13)22/h2-8,14-15,19-20,26H,9-11H2,1H3,(H,23,29)/t14-,15-,19+,20-/m1/s1" ; chebi:inchikey "JQQHJAYFWCMULB-XWYPRVOQSA-N" ; chebi:mass "399.416" ; chebi:monoisotopicmass "399.15943" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=CC3=O)[C@H]([C@@H]1C(=O)NCC4=CC=CC=C4F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13028" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22+,24+/m0/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-BGWNEDDSSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13029" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_101667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19-/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-FHWLQOOXSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13030" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-FEHPBONCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13031" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13031" . obo:CHEBI_101669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "XXZJPGUPXRETOH-BALWLHIASA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13032" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H15N5O2R2" ; chebi:mass "213.237" ; chebi:monoisotopicmass "213.12257" ; chebi:smiles "CNC(=N)NCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasDbXref "KEGG:C05321" ; oboInOwl:hasExactSynonym "[Myeline basic protein] N-methyl-L-arginine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "[Myelin basic protein]-N(omega)-methylarginine" ; oboInOwl:id "CHEBI:10167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Myeline basic protein] N-methyl-L-arginine" . _:b1130 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10167 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Myeline basic protein] N-methyl-L-arginine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1131 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10167 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[Myelin basic protein]-N(omega)-methylarginine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26+/m0/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-ISJBWFOZSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13033" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13033" . obo:CHEBI_101671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29-/m0/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-SYZUXVNWSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13034" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13034" . obo:CHEBI_101672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c33-24-17-32(29(35)22-7-4-14-30-16-22)26-13-12-25(37-27(26)19-36-18-24)15-28(34)31-23-10-8-21(9-11-23)20-5-2-1-3-6-20/h1-11,14,16,24-27,33H,12-13,15,17-19H2,(H,31,34)/t24-,25-,26+,27-/m0/s1" ; chebi:inchikey "WTHWQCPYZWPYSX-NFGXINMFSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CN=CC=C3)O)O[C@@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13035" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15+,16-/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-XHSDSOJGSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13036" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17-,18+/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-DTDBQYNISA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13037" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21-/m0/s1" ; chebi:inchikey "IMTXHMNNEPVREU-QYWGDWMGSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13038" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22-,25+/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ZSIZCVMNSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13039" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H29F2N3O3" ; chebi:inchi "InChI=1S/C26H29F2N3O3/c1-30-22-13-31-21(8-7-19(26(31)34)16-5-3-2-4-6-16)24(30)23(20(22)14-32)25(33)29-12-15-9-17(27)11-18(28)10-15/h5,7-11,20,22-24,32H,2-4,6,12-14H2,1H3,(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "MBUIMBFODARIMW-AZOUXBGGSA-N" ; chebi:mass "469.525" ; chebi:monoisotopicmass "469.21770" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC5=CC(=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13040" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13040" . obo:CHEBI_101678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C16H26N2O5" ; chebi:inchi "InChI=1S/C16H26N2O5/c1-22-11-15(20)17-13-6-5-12(23-14(13)10-19)9-16(21)18-7-3-2-4-8-18/h5-6,12-14,19H,2-4,7-11H2,1H3,(H,17,20)/t12-,13+,14-/m0/s1" ; chebi:inchikey "BHRCWANBCSKYFS-MJBXVCDLSA-N" ; chebi:mass "326.389" ; chebi:monoisotopicmass "326.18417" ; chebi:smiles "COCC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)N2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13041" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide" . obo:CHEBI_101679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26-/m1/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-LJKQEARRSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13042" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13042" . obo:CHEBI_101680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "PHEIPYKARIAFSI-ZTUCRWOVSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13043" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-OKYOBFRVSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13044" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12-,13+,14-/m0/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-FQUUOJAGSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13045" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18+,19+,20-/m1/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-FUMNGEBKSA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13046" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13-,14+/m1/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-RQJABVFESA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13047" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19+/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-GBESFXJTSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13048" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m1/s1" ; chebi:inchikey "WKDBULKSLWTRKP-PBDKAQRYSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13049" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22-,25+/m1/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-DORSAVSOSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13050" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14-,20-/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-YRVVQQKDSA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_101689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-29-24-21(15-30-23(24)12-11-20(27(30)33)18-8-4-5-9-18)22(16-31)25(29)26(32)28-14-17-7-6-10-19(13-17)34-2/h6-8,10-13,21-22,24-25,31H,3-5,9,14-16H2,1-2H3,(H,28,32)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "NBNQALGKJVWNKP-HFOXQMJASA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NCC5=CC(=CC=C5)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13052" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33ClN2O5S" ; chebi:inchi "InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "SHOKCNHESYLQAS-CZBREUMFSA-N" ; chebi:mass "557.103" ; chebi:monoisotopicmass "556.17987" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13053" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13053" . obo:CHEBI_101691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16-,17+/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-TWMKSMIVSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13054" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C22H29FN4O6S" ; chebi:inchi "InChI=1S/C22H29FN4O6S/c1-26-11-22(25-14-26)34(30,31)27-10-17(28)12-32-13-20-19(27)6-5-18(33-20)8-21(29)24-9-15-3-2-4-16(23)7-15/h2-4,7,11,14,17-20,28H,5-6,8-10,12-13H2,1H3,(H,24,29)/t17-,18-,19-,20+/m0/s1" ; chebi:inchikey "PSOMVEOYXZFBLO-LWYYNNOASA-N" ; chebi:mass "496.554" ; chebi:monoisotopicmass "496.17918" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13055" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23+,24-/m0/s1" ; chebi:inchikey "QCHQNBIYSRQADD-KEZOAJOQSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13056" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20-,21+/m0/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-SESVDKBCSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13057" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H32N4O5" ; chebi:inchi "InChI=1S/C23H32N4O5/c1-6-27-12-15(2)21(30-5)13-26(4)23(29)18-8-7-17(11-20(18)31-14-16(27)3)25-22(28)19-9-10-24-32-19/h7-11,15-16,21H,6,12-14H2,1-5H3,(H,25,28)/t15-,16-,21-/m1/s1" ; chebi:inchikey "WQVSSCVNJCJDQA-WHSLLNHNSA-N" ; chebi:mass "444.525" ; chebi:monoisotopicmass "444.23727" ; chebi:smiles "CCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=NO3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13058" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-ethyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_101696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20-,21+/m0/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-JSXRDJHFSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-13059" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-36-29(21)18-32(3)17-23-12-14-25(31)15-13-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "KXTDYBDROYGOSG-IEOSBIPESA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13060" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13060" . obo:CHEBI_101698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24-,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-KJMNMTOCSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13061" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13061" . obo:CHEBI_101699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22+,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-YHZQYDDPSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13062" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13062" . obo:CHEBI_1017 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17289 ; owl:deprecated true . obo:CHEBI_101700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-DFICYWPVSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13063" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20+,21+/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-ZLGUVYLKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13064" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_101702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17-,18+/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-NONVJHHQSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13065" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_101703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H39N3O6" ; chebi:inchi "InChI=1S/C27H39N3O6/c31-17-24-26-22(15-20(35-24)16-25(32)28-8-11-30-9-2-1-3-10-30)21-14-19(4-5-23(21)36-26)29-27(33)18-6-12-34-13-7-18/h4-5,14,18,20,22,24,26,31H,1-3,6-13,15-17H2,(H,28,32)(H,29,33)/t20-,22-,24+,26+/m1/s1" ; chebi:inchikey "XIMMKRXXDKAOMK-GUAAGHCTSA-N" ; chebi:mass "501.616" ; chebi:monoisotopicmass "501.28389" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13066" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-YDZRNGNQSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13067" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-FTRWYGJKSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13068" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C17H20N2O5" ; chebi:inchi "InChI=1S/C17H20N2O5/c1-24-17(23)14-10(8-20)12-7-18-11(3-2-4-13(18)21)15(14)19(12)16(22)9-5-6-9/h2-4,9-10,12,14-15,20H,5-8H2,1H3/t10-,12-,14+,15+/m0/s1" ; chebi:inchikey "KUBNHDDGXKERLH-OBCWZRDOSA-N" ; chebi:mass "332.352" ; chebi:monoisotopicmass "332.13722" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13069" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13069" . obo:CHEBI_101707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15-,16-/m0/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-BPUTZDHNSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-13070" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_101708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H23N3O3" ; chebi:inchi "InChI=1S/C17H23N3O3/c1-19-13-8-20-12(3-2-4-14(20)22)16(19)15(11(13)9-21)17(23)18-7-10-5-6-10/h2-4,10-11,13,15-16,21H,5-9H2,1H3,(H,18,23)/t11-,13-,15+,16+/m0/s1" ; chebi:inchikey "INXWNUBULGNKSP-DDUYRFODSA-N" ; chebi:mass "317.383" ; chebi:monoisotopicmass "317.17394" ; chebi:smiles "CN1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13071" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13071" . obo:CHEBI_101709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19+,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-HCBXPFHNSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13072" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25-,31+,32+/m1/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-PKVSMLHLSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13073" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13073" . obo:CHEBI_101711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25-,28-/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-YZDMAOCNSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13074" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101712 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_5280 ; owl:deprecated true . obo:CHEBI_101713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35500 ; rdfs:subClassOf obo:CHEBI_38582 ; rdfs:subClassOf obo:CHEBI_83943 . _:b1132 rdf:type owl:Restriction . obo:CHEBI_101713 rdfs:subClassOf _:b1132 . _:b1132 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_74925 . obo:CHEBI_101713 obo:IAO_0000115 "An L-alanine derivative that is the amide obtained by formal condensation of the carboxy group of N-[(3,5-difluorophenyl)acetyl]-L-alanine with the amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one. An inhibitor of memapsin 2 (gamma-secretase)." ; chebi:charge "0" ; chebi:formula "C27H24F2N4O3" ; chebi:inchi "InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25+/m0/s1" ; chebi:inchikey "JNGZXGGOCLZBFB-IVCQMTBJSA-N" ; chebi:mass "490.502" ; chebi:monoisotopicmass "490.18165" ; chebi:smiles "C=1(C=2C(N(C([C@H](N1)NC([C@@H](NC(CC=3C=C(C=C(C3)F)F)=O)C)=O)=O)C)=CC=CC2)C=4C=CC=CC4" ; oboInOwl:hasDbXref "Reaxys:14671471" ; oboInOwl:hasExactSynonym "N(2)-[(3,5-difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "gamma-secretase inhibitor XXI" ; oboInOwl:id "CHEBI:101713" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "compound E" . _:b1133 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101713 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:14671471" ; rdfs:label "Reaxys" . _:b1134 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101713 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N(2)-[(3,5-difluorophenyl)acetyl]-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-L-alaninamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1135 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101713 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "gamma-secretase inhibitor XXI" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_101714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-15-32-26-18-33-25(13-12-23(29(33)35)21-9-4-3-5-10-21)28(32)27(24(26)19-34)30(36)31-16-14-20-8-6-7-11-22(20)17-31/h6-9,11-13,24,26-28,34H,2-5,10,14-19H2,1H3/t24-,26-,27+,28+/m0/s1" ; chebi:inchikey "KTCZPISMGPPISS-GDWZEYGFSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-13076" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13076" . obo:CHEBI_101715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12-,13+/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-TVYUQYBPSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)O)F" ; oboInOwl:hasDbXref "LINCS:LSM-13077" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_101716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H23FN2O2" ; chebi:inchi "InChI=1S/C24H23FN2O2/c25-20-8-4-7-19(13-20)24(29)27-21(14-26)23(22(27)15-28)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h4-5,7-13,21-23,28H,1-3,6,15H2/t21-,22-,23+/m0/s1" ; chebi:inchikey "BSEGMNXKWUIHHS-RJGXRXQPSA-N" ; chebi:mass "390.451" ; chebi:monoisotopicmass "390.17436" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13078" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28N6O4" ; chebi:inchi "InChI=1S/C25H28N6O4/c1-29-12-17(27-15-29)10-11-26-24(34)23-19(14-32)18-13-30-20(8-5-9-21(30)33)22(18)31(23)25(35)28-16-6-3-2-4-7-16/h2-9,12,15,18-19,22-23,32H,10-11,13-14H2,1H3,(H,26,34)(H,28,35)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "WOLKNTYXBIJULP-PJIZGREPSA-N" ; chebi:mass "476.529" ; chebi:monoisotopicmass "476.21720" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13079" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N2-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-N1-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_101718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S" ; chebi:inchi "InChI=1S/C22H32N4O5S/c1-16-6-8-19(9-7-16)32(29,30)26(18(3)15-27)13-17(2)21(31-5)14-25(4)22(28)20-12-23-10-11-24-20/h6-12,17-18,21,27H,13-15H2,1-5H3/t17-,18-,21-/m0/s1" ; chebi:inchikey "SBBAPVWHPDIFCH-WFXMLNOXSA-N" ; chebi:mass "464.580" ; chebi:monoisotopicmass "464.20934" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13080" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1" ; chebi:inchikey "CCIDSNZUNACLPU-PYTYSOFPSA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13081" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26+/m1/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-GOHWNWGWSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13082" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13082" . obo:CHEBI_101721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20-/m0/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-DBVUQKKJSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13083" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_101722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18-/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-FGTMMUONSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13084" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_101723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18+,25-/m0/s1" ; chebi:inchikey "UZJARJIYRQCXCT-ATLLOTDBSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasDbXref "LINCS:LSM-13085" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25-,26-/m1/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-PZXVYJQKSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13086" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13086" . obo:CHEBI_101725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19-/m0/s1" ; chebi:inchikey "APPCZAALLCDYNG-BXWFABGCSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_101726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20-,24-,26+/m0/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-IHJBEOSKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13088" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27+/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-BUEREQSYSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13089" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_101728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23-/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-SAHWJRBASA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13090" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-HYFFOGBASA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13091" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_101730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17+,20-/m0/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-XEQBAVFLSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13092" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_101731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-14-32-27-24(17-33-26(27)13-12-23(30(33)36)19-8-4-3-5-9-19)25(18-34)28(32)29(35)31-22-15-20-10-6-7-11-21(20)16-22/h6-8,10-13,22,24-25,27-28,34H,2-5,9,14-18H2,1H3,(H,31,35)/t24-,25-,27+,28-/m1/s1" ; chebi:inchikey "OSYNMQZPZHDZRS-QKBZBAIHSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)NC5CC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13093" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H37N5O4" ; chebi:inchi "InChI=1S/C27H37N5O4/c1-2-11-31-24-21(17-32-23(24)5-4-20(27(32)35)19-6-9-28-10-7-19)22(18-33)25(31)26(34)29-8-3-12-30-13-15-36-16-14-30/h4-7,9-10,21-22,24-25,33H,2-3,8,11-18H2,1H3,(H,29,34)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "DECXYAQNRLUUJQ-YQIMAOPZSA-N" ; chebi:mass "495.615" ; chebi:monoisotopicmass "495.28455" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=NC=C4)[C@H]([C@@H]1C(=O)NCCCN5CCOCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13094" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N-[3-(4-morpholinyl)propyl]-6-oxo-1-propyl-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O6S" ; chebi:inchi "InChI=1S/C22H27FN2O6S/c1-30-19-7-2-3-8-21(19)32(28,29)25-18-10-9-17(31-20(18)14-26)12-22(27)24-13-15-5-4-6-16(23)11-15/h2-8,11,17-18,20,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,18-,20+/m0/s1" ; chebi:inchikey "ZNMNRMGCWQWZTD-CMKODMSKSA-N" ; chebi:mass "466.525" ; chebi:monoisotopicmass "466.15739" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13095" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_101734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24-/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-HOZJOUCCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13096" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_101735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26-,27+,30-/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-MHTMXISKSA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13097" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17-,18+,19-/m1/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-OQIJWPOYSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13098" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18-,21-/m0/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-MDKPJZGXSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13099" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H39N3O5" ; chebi:inchi "InChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23-,24+/m1/s1" ; chebi:inchikey "JSQZMBUYZHIIMM-ONTLXTELSA-N" ; chebi:mass "461.595" ; chebi:monoisotopicmass "461.28897" ; chebi:smiles "COC1=CC=C(C=C1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13100" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide" . obo:CHEBI_101739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27-,29+/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-SEGPTPNXSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13101" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C3H4N2O2R2" ; chebi:mass "100.076" ; chebi:monoisotopicmass "100.02728" ; chebi:smiles "[*]NC(=O)CNC([*])=O" ; oboInOwl:hasDbXref "KEGG:C05197" ; oboInOwl:hasExactSynonym "[Pyruvate formate-lyase]-glycine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Pyruvate formate-lyase]-glycine" . _:b1136 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10174 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Pyruvate formate-lyase]-glycine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16-,22-/m0/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-WCJKSRRJSA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13102" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21+,22-/m1/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-YUMYIRISSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13103" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_101742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H33N5O3S" ; chebi:inchi "InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-22-10-13-35-14-11-22)37-31(30(27)29(38)12-15-39)26-9-5-8-25(17-26)24-7-4-6-23(16-24)19-34/h4-11,13-14,16-18,29,39H,12,15,20-21H2,1-3H3,(H,36,40)/t29-,42-/m1/s1" ; chebi:inchikey "AXJWSZCRWHPALT-LIIBOVGXSA-N" ; chebi:mass "579.714" ; chebi:monoisotopicmass "579.23041" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13104" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-NEWSRXKRSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13105" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18+,20-/m0/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-HQRMLTQVSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13106" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_101745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25+/m0/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-WZOHSFFVSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13107" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_101746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N3O4" ; chebi:inchi "InChI=1S/C24H34F3N3O4/c1-15-12-30(10-9-24(25,26)27)16(2)14-34-20-8-7-18(28-22(31)17-5-6-17)11-19(20)23(32)29(3)13-21(15)33-4/h7-8,11,15-17,21H,5-6,9-10,12-14H2,1-4H3,(H,28,31)/t15-,16+,21+/m0/s1" ; chebi:inchikey "LPOPNFSKLDAMKV-GCKMJXCFSA-N" ; chebi:mass "485.541" ; chebi:monoisotopicmass "485.25014" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13108" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O4" ; chebi:inchi "InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)22-12-11-20(14-24(22)35-17-19(31)3)29-26(32)21-9-7-8-10-23(21)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "HGUJNTNFLCOWHI-MPCDZSKCSA-N" ; chebi:mass "485.592" ; chebi:monoisotopicmass "485.26898" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13109" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19+,20+/m0/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-XUVXKRRUSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13110" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2S,3R,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24+/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-WOGXIUBCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13111" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_10175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C3H3N2O2R2" ; chebi:mass "99.068" ; chebi:monoisotopicmass "99.01945" ; chebi:smiles "[*]NC(=O)[CH]NC([*])=O" ; oboInOwl:hasDbXref "KEGG:C05312" ; oboInOwl:hasExactSynonym "[Pyruvate formate-lyase]-glycine radical" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Pyruvate formate-lyase]-glycine radical" . _:b1137 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10175 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Pyruvate formate-lyase]-glycine radical" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18-/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-KSZLIROESA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13112" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_101751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25-,27-,29+/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-ACEYUQJJSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13113" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26+,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-UXUXNBJMSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13114" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13114" . obo:CHEBI_101753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O3" ; chebi:inchi "InChI=1S/C21H31N3O3/c1-2-22-21(27)20-16(13-25)15-12-23-17(9-6-10-18(23)26)19(15)24(20)11-14-7-4-3-5-8-14/h6,9-10,14-16,19-20,25H,2-5,7-8,11-13H2,1H3,(H,22,27)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "ZLPHSXDBJGBVPE-YAJHFMINSA-N" ; chebi:mass "373.490" ; chebi:monoisotopicmass "373.23654" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1CC4CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13115" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclohexylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "HABLAPXLJDLSLY-MFEFFIJZSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13116" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_101755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-IZZBFERCSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13117" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_101756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20+,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-DBOLQNLKSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13118" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23-,26+,28+/m1/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-YZJMKMORSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13119" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19+,20-,23+/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-AWWSKVOZSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13120" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_101759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22-,25+/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-VCWGXOKSSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13121" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18+,19+/m0/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-IPMKNSEASA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13122" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_101761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20-/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-HSALFYBXSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13123" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17+,19+/m0/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-YQVWRLOYSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13124" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O6" ; chebi:inchi "InChI=1S/C22H29Cl2N3O6/c23-14-7-15(24)9-16(8-14)25-22(30)27-11-17(28)12-32-13-20-19(27)2-1-18(33-20)10-21(29)26-3-5-31-6-4-26/h7-9,17-20,28H,1-6,10-13H2,(H,25,30)/t17-,18-,19+,20-/m1/s1" ; chebi:inchikey "IDLNHXHJUITYBI-YSTOQKLRSA-N" ; chebi:mass "502.389" ; chebi:monoisotopicmass "501.14334" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)NC3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13125" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22+,28-/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-RZIGYZOXSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13126" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_101765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30-/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-DUELTEGESA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13127" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13127" . obo:CHEBI_101766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18-,20+/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-ZAAXVRCTSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13128" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-15-7-6-8-16-28)37-32(31(27)30(39)17-18-40)25-13-9-11-23(19-25)24-12-10-14-26(20-24)34(42)38(4)5/h9-14,19-21,28,30,40H,6-8,15-18,22H2,1-5H3,(H,36,41)/t30-,44-/m0/s1" ; chebi:inchikey "YEVZUBCSLLXCKN-PDWOKFFSSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13129" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20-,21-/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-ACRUOGEOSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13130" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H27N3O2" ; chebi:inchi "InChI=1S/C21H27N3O2/c1-2-12-23-21(26)24-18(13-22)20(19(24)14-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-20,25H,2-5,7,12,14H2,1H3,(H,23,26)/t18-,19+,20+/m0/s1" ; chebi:inchikey "BSUDBHASFVKNIG-XUVXKRRUSA-N" ; chebi:mass "353.459" ; chebi:monoisotopicmass "353.21033" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13131" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19+/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-QRVBRYPASA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-13132" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-RZNKLVQRSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13133" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22-/m1/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-KAGYGMCKSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13134" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25-,26+/m1/s1" ; chebi:inchikey "KKHGDJJULHRULI-CYXNTTPDSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13135" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16-,18-,21+/m0/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-YZZRYBLGSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13136" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_101775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H36F3N3O5" ; chebi:inchi "InChI=1S/C24H36F3N3O5/c1-16(21(34-4)14-29(3)22(32)18-9-11-35-12-10-18)13-30(17(2)15-31)23(33)28-20-7-5-19(6-8-20)24(25,26)27/h5-8,16-18,21,31H,9-15H2,1-4H3,(H,28,33)/t16-,17+,21-/m1/s1" ; chebi:inchikey "NYUANTAUILYKHE-LLGFUMIMSA-N" ; chebi:mass "503.556" ; chebi:monoisotopicmass "503.26071" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13137" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_101776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20-,22+/m0/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-HSSHKJKNSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13138" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-18-9-7-17(8-10-18)21-11-12-24-25-22(15-32(24)28(21)36)23(16-34)26(27(35)31-19-5-3-6-19)33(25)14-20-4-1-2-13-30-20/h1-2,4,7-13,19,22-23,25-26,34H,3,5-6,14-16H2,(H,31,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "GFQXIANWUUUKJA-LJCOXQHRSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]3N2CC6=CC=CC=N6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13139" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31ClN2O7S" ; chebi:inchi "InChI=1S/C24H31ClN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "KWUJCNXGEDOTIS-MFEFFIJZSA-N" ; chebi:mass "527.032" ; chebi:monoisotopicmass "526.15405" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13140" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21-/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-NDXORKPFSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13141" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_10178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C8H15N3O2R2" ; chebi:mass "185.224" ; chebi:monoisotopicmass "185.11643" ; chebi:smiles "CNCCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasDbXref "KEGG:C06404" ; oboInOwl:hasExactSynonym "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" . _:b1138 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10178 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21-/m1/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-PLMTUMEDSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13142" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26-,28-/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-SJPQFPLUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-13143" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_101782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24+,28+,30-/m1/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-KKGYKCSESA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasDbXref "LINCS:LSM-13144" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H25N3O5" ; chebi:inchi "InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17+,19-,21-/m0/s1" ; chebi:inchikey "IUZUJTQXZTXMFN-MRCYXTNMSA-N" ; chebi:mass "411.452" ; chebi:monoisotopicmass "411.17942" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13145" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O6" ; chebi:inchi "InChI=1S/C29H31N3O6/c1-36-24-5-3-2-4-19(24)16-31-27(34)15-21-14-23-22-13-20(32-28(35)12-18-8-10-30-11-9-18)6-7-25(22)38-29(23)26(17-33)37-21/h2-11,13,21,23,26,29,33H,12,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,26+,29-/m1/s1" ; chebi:inchikey "ZGXOXQUBSYKGRY-MJMMSJOPSA-N" ; chebi:mass "517.574" ; chebi:monoisotopicmass "517.22129" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13146" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20-,21-/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-ZQYQINFJSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13147" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-HUYLIWGRSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13148" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-OBZTUIKSSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13149" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19+,20+/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-XUVXKRRUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13150" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_101789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "DBBLKINRPPNEJI-AQNXPRMDSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13151" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C7H13N3O2R2" ; chebi:mass "171.197" ; chebi:monoisotopicmass "171.10078" ; chebi:smiles "NCCCC[C@H](NC([*])=O)C(=O)N[*]" ; oboInOwl:hasDbXref "KEGG:C06403" ; oboInOwl:hasExactSynonym "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" . _:b1139 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10179 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "[Ribulose-1,5-bisphosphate-carboxylase]-lysine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19+,23-/m1/s1" ; chebi:inchikey "IMMALVOVYMCCKV-SELNLUPBSA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13152" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_101791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C17H19F3N2O5" ; chebi:inchi "InChI=1S/C17H19F3N2O5/c1-26-15(24)8-12-6-7-13(14(9-23)27-12)22-16(25)21-11-4-2-10(3-5-11)17(18,19)20/h2-7,12-14,23H,8-9H2,1H3,(H2,21,22,25)/t12-,13-,14-/m0/s1" ; chebi:inchikey "PYGNPVIZRZQEAZ-IHRRRGAJSA-N" ; chebi:mass "388.339" ; chebi:monoisotopicmass "388.12461" ; chebi:smiles "COC(=O)C[C@@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13153" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_101792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C16H25N3O7S" ; chebi:inchi "InChI=1S/C16H25N3O7S/c1-18-7-15(17-10-18)27(22,23)19-6-11(20)8-25-9-14-13(19)4-3-12(26-14)5-16(21)24-2/h7,10-14,20H,3-6,8-9H2,1-2H3/t11-,12+,13+,14-/m0/s1" ; chebi:inchikey "HDTRYUIMSWCRLO-DGAVXFQQSA-N" ; chebi:mass "403.452" ; chebi:monoisotopicmass "403.14132" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13154" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14+,15+/m1/s1" ; chebi:inchikey "FUQFZQORNFVFMN-UGFHNGPFSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-13155" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F2N3O5S" ; chebi:inchi "InChI=1S/C23H31F2N3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22+/m0/s1" ; chebi:inchikey "DYSXQKGXYVAXRN-GSHUGGBRSA-N" ; chebi:mass "499.573" ; chebi:monoisotopicmass "499.19525" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13156" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_101795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-35-19-10-5-7-17(13-19)14-28-26(33)24-20(16-31)22-15-29-21(11-6-12-23(29)32)25(24)30(22)27(34)18-8-3-2-4-9-18/h5-7,10-13,18,20,22,24-25,31H,2-4,8-9,14-16H2,1H3,(H,28,33)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "PNHDRDYFFADBCF-MMTHZHQFSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5CCCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13157" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13157" . obo:CHEBI_101796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20+/m1/s1" ; chebi:inchikey "DXVJXLONGZUJOS-RLLQIKCJSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13158" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13158" . obo:CHEBI_101797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H36N4O5" ; chebi:inchi "InChI=1S/C29H36N4O5/c1-18-14-33(19(2)16-34)28(35)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-37-26(18)15-32(5)29(36)30-27-20(3)31-38-21(27)4/h6-13,18-19,26,34H,14-17H2,1-5H3,(H,30,36)/t18-,19-,26-/m1/s1" ; chebi:inchikey "SNXQORXMPHKSCQ-LJKQEARRSA-N" ; chebi:mass "520.621" ; chebi:monoisotopicmass "520.26857" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13159" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13159" . obo:CHEBI_101798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27+/m1/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-KFDHSVMUSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13160" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25FN2O6" ; chebi:inchi "InChI=1S/C24H25FN2O6/c1-27-19-9-8-15(12-22(28)31-2)33-21(19)13-32-20-10-7-14(11-17(20)24(27)30)26-23(29)16-5-3-4-6-18(16)25/h3-7,10-11,15,19,21H,8-9,12-13H2,1-2H3,(H,26,29)/t15-,19-,21-/m1/s1" ; chebi:inchikey "QVBIDJFZXMTPPC-QFIXIFRTSA-N" ; chebi:mass "456.464" ; chebi:monoisotopicmass "456.16966" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13161" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_1018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33406 ; chebi:charge "0" ; chebi:formula "C2H8AsNO3" ; chebi:inchi "InChI=1S/C2H8AsNO3/c4-2-1-3(5,6)7/h1-2,4H2,(H2,5,6,7)" ; chebi:inchikey "BWJNQNUSFBJWOA-UHFFFAOYSA-N" ; chebi:mass "169.012" ; chebi:monoisotopicmass "168.97201" ; chebi:smiles "NCC[As](O)(O)=O" ; oboInOwl:hasDbXref "KEGG:C07279" ; oboInOwl:hasExactSynonym "2-Aminoethylarsonate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Aminoethylarsonate" . _:b1140 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1018 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-Aminoethylarsonate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_101800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21-,24+,26+/m0/s1" ; chebi:inchikey "MRHMXTIRULDPKA-FBNDAJROSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13162" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12+/m1/s1" ; chebi:inchikey "PLQUATFCVTZMJC-WOPDTQHZSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-13163" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_101802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29-,30-/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-HKJOVFRDSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13164" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13164" . obo:CHEBI_101803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22-/m0/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-ONTIZHBOSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13165" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_101804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24+,30+/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-UCTCLUAXSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13166" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13166" . obo:CHEBI_101805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-PNLZDCPESA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13167" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-16-26(32(39)35-17-21-9-10-28-29(14-21)42-20-41-28)36-31(30(25)27(37)11-13-38)23-7-4-6-22(15-23)24-8-5-12-34-18-24/h4-10,12,14-16,18,27,38H,11,13,17,19-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1" ; chebi:inchikey "JSQFWOWYOCZIMF-AMDSOUHQSA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13168" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "ADONDIFMYIEKMI-IXFSTUDKSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13169" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24+,25+/m1/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-DSITVLBTSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13170" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1" ; chebi:inchikey "AAENOGRDWGDRJO-GTNJKRJXSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13171" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13171" . obo:CHEBI_101810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12+,14+,16-/m0/s1" ; chebi:inchikey "STSQWNRYWIJNCW-SFXCNKRSSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13172" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26-/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-FIAZIHOUSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13173" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_101812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18+,20+/m0/s1" ; chebi:inchikey "BOKKRFULVUTARF-XGJBHWFVSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13174" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_101813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18-,20-/m1/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-YVWKXTFCSA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13175" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XWPNQZOQSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13176" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O5" ; chebi:inchi "InChI=1S/C25H33N3O5/c1-16-13-26-17(2)15-33-22-10-9-19(12-21(22)25(30)28(3)14-23(16)32-5)27-24(29)18-7-6-8-20(11-18)31-4/h6-12,16-17,23,26H,13-15H2,1-5H3,(H,27,29)/t16-,17-,23+/m0/s1" ; chebi:inchikey "OOHQDHOXZWVAAU-HKARXFIJSA-N" ; chebi:mass "455.548" ; chebi:monoisotopicmass "455.24202" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13177" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29N3O6" ; chebi:inchi "InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16-,19+/m1/s1" ; chebi:inchikey "OCHDOPTVTSINTO-MDZRGWNJSA-N" ; chebi:mass "419.472" ; chebi:monoisotopicmass "419.20564" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13178" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-MCFFVMPBSA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13179" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-JXQFQVJHSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13180" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19+,21-/m1/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-SLYNCCJLSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13181" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_101820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17-,18+,19-/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-OKYOBFRVSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13182" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_101821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20+,21-/m1/s1" ; chebi:inchikey "MTMISLSQWFYTRE-MXEMCNAFSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13183" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_101822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22-,29-/m1/s1" ; chebi:inchikey "QELHGDMSGADVOM-IEOSBIPESA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13184" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13184" . obo:CHEBI_101823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-7-13-32-16-19(2)26(36-6)17-31(4)27(33)24-12-11-22(15-25(24)37-18-20(32)3)30-28(34)29-21-9-8-10-23(14-21)35-5/h8-12,14-15,19-20,26H,7,13,16-18H2,1-6H3,(H2,29,30,34)/t19-,20+,26+/m1/s1" ; chebi:inchikey "NWXQZACELVQCTR-GOHWNWGWSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13185" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-methoxyphenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16-,18-/m0/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-ZVZYQTTQSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13186" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-28(2,3)36(35)32-17-21-16-23(27(34)31(4)5)30-26(25(21)24(32)13-14-33)20-8-6-7-19(15-20)18-9-11-22(29)12-10-18/h6-12,15-16,24,33H,13-14,17H2,1-5H3/t24-,36-/m1/s1" ; chebi:inchikey "AGIZNZOEGDEWTD-GPJMPKJXSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13187" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21-,23-/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-LQOJQYNMSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13188" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21-/m1/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-HLAWJBBLSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13189" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19-/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-OTWHNJEPSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13190" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_101829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-19-15-33(16-21-9-10-21)20(2)18-38-26-12-11-23(14-25(26)28(34)32(3)17-27(19)37-5)31-29(35)30-22-7-6-8-24(13-22)36-4/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H2,30,31,35)/t19-,20+,27-/m0/s1" ; chebi:inchikey "NFEVTECKVPPYCJ-VKIDHGPPSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13191" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_101830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16-,18+/m1/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-KYJSFNMBSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13192" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O6S" ; chebi:inchi "InChI=1S/C19H19FN2O6S/c1-29(27,28)22-16-13(14(9-23)17(22)19(25)26)8-21-15(16)7-6-12(18(21)24)10-2-4-11(20)5-3-10/h2-7,13-14,16-17,23H,8-9H2,1H3,(H,25,26)/t13-,14-,16+,17-/m1/s1" ; chebi:inchikey "PCISDUIZPJCQMU-TXCZRRACSA-N" ; chebi:mass "422.429" ; chebi:monoisotopicmass "422.09479" ; chebi:smiles "CS(=O)(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13193" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O6S" ; chebi:inchi "InChI=1S/C22H34ClN3O6S/c1-25(2)11-3-10-24-22(28)12-18-6-9-20-21(32-18)15-31-14-17(27)13-26(20)33(29,30)19-7-4-16(23)5-8-19/h4-5,7-8,17-18,20-21,27H,3,6,9-15H2,1-2H3,(H,24,28)/t17-,18+,20-,21+/m1/s1" ; chebi:inchikey "NJKGITFUOGWCFU-JYRKZWEQSA-N" ; chebi:mass "504.042" ; chebi:monoisotopicmass "503.18568" ; chebi:smiles "CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13194" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_101833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22+/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-KRDZULTMSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13195" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14-,15-/m1/s1" ; chebi:inchikey "FUQFZQORNFVFMN-KCPJHIHWSA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-13196" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_101835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19+,21+,24-/m0/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-FCMRVMJTSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13197" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_101836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O7S" ; chebi:inchi "InChI=1S/C31H47N3O7S/c1-22-19-34(23(2)21-35)31(36)28-18-25(32(4)5)11-16-29(28)41-24(3)10-8-9-17-40-30(22)20-33(6)42(37,38)27-14-12-26(39-7)13-15-27/h11-16,18,22-24,30,35H,8-10,17,19-21H2,1-7H3/t22-,23+,24-,30+/m0/s1" ; chebi:inchikey "OKIGVZMNGZVCJM-WUBQMYJQSA-N" ; chebi:mass "605.788" ; chebi:monoisotopicmass "605.31347" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13198" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_101837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-VKSDOSABSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13199" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_101838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m1/s1" ; chebi:inchikey "WKDBULKSLWTRKP-LGVUCKNBSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13200" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H26ClN3O5S" ; chebi:inchi "InChI=1S/C21H26ClN3O5S/c22-17-5-1-2-6-20(17)31(28,29)24-11-9-16-7-8-18(19(14-26)30-16)25-21(27)12-15-4-3-10-23-13-15/h1-6,10,13,16,18-19,24,26H,7-9,11-12,14H2,(H,25,27)/t16-,18+,19-/m0/s1" ; chebi:inchikey "WMHOVAQHNBVIPJ-UHOSZYNNSA-N" ; chebi:mass "467.968" ; chebi:monoisotopicmass "467.12817" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13201" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_101840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29ClN4O5S" ; chebi:inchi "InChI=1S/C21H29ClN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "FDINZZIDFRBVPX-GQIGUUNPSA-N" ; chebi:mass "484.999" ; chebi:monoisotopicmass "484.15472" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13202" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19+,20-,21+/m1/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-MHTWAQMVSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13203" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IEGUWTFLSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13204" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_101843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19+,20-/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-HSALFYBXSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13205" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H35N5O3S" ; chebi:inchi "InChI=1S/C32H35N5O3S/c1-32(2,3)41(40)37-21-26-19-27(31(39)35-16-11-22-9-14-33-15-10-22)36-30(29(26)28(37)12-17-38)24-7-4-6-23(18-24)25-8-5-13-34-20-25/h4-10,13-15,18-20,28,38H,11-12,16-17,21H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "YESIXAXFOCXQOM-GIEABIOQSA-N" ; chebi:mass "569.719" ; chebi:monoisotopicmass "569.24606" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13206" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_21644 ; chebi:charge "0" ; chebi:formula "C23H26N4O5" ; chebi:inchi "InChI=1S/C23H26N4O5/c28-11-17-16-10-26-18(7-6-15(22(26)30)14-8-24-12-25-9-14)19(16)27(20(17)23(31)32)21(29)13-4-2-1-3-5-13/h6-9,12-13,16-17,19-20,28H,1-5,10-11H2,(H,31,32)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "QRMANUUKSUBTTM-XEYPJELSSA-N" ; chebi:mass "438.477" ; chebi:monoisotopicmass "438.19032" ; chebi:smiles "C1CCC(CC1)C(=O)N2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@@H]([C@H]2C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13207" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_101846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m0/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-IHMCZWCLSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13208" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13208" . obo:CHEBI_101847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21-,23+/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-LSWJPFSZSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13209" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_101848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H32F3N3O4S" ; chebi:inchi "InChI=1S/C29H32F3N3O4S/c1-28(2,3)40(38)35-16-21-15-23(27(37)33-17-29(30,31)32)34-26(25(21)24(35)11-12-36)20-9-5-7-18(13-20)19-8-6-10-22(14-19)39-4/h5-10,13-15,24,36H,11-12,16-17H2,1-4H3,(H,33,37)/t24-,40-/m0/s1" ; chebi:inchikey "ZACPEVQRHPQJRQ-KHMLVVKISA-N" ; chebi:mass "575.644" ; chebi:monoisotopicmass "575.20656" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13210" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22-/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-WCJKSRRJSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13211" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20-/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-HSALFYBXSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13212" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_101851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23+,24-,30+/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-IFVFNEAISA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13213" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13213" . obo:CHEBI_101852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-22-12)21-19(27)20-15-5-4-14(28-16(15)11-25)10-17(26)24-8-6-23(3)7-9-24/h14-16,25H,4-11H2,1-3H3,(H2,20,21,27)/t14-,15-,16-/m0/s1" ; chebi:inchikey "ZKSUBHWMVQQNNI-JYJNAYRXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13214" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea" . obo:CHEBI_101853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; rdfs:subClassOf obo:CHEBI_73537 ; rdfs:subClassOf obo:CHEBI_86324 ; rdfs:subClassOf obo:CHEBI_87211 . _:b1141 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b1141 . _:b1141 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b1142 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b1142 . _:b1142 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b1143 rdf:type owl:Restriction . obo:CHEBI_101853 rdfs:subClassOf _:b1143 . _:b1143 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_53559 . obo:CHEBI_101853 obo:IAO_0000115 "A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position." ; chebi:charge "0" ; chebi:formula "C18H20FN5O4" ; chebi:inchi "InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+" ; chebi:inchikey "ZRCVYEYHRGVLOC-HYARGMPZSA-N" ; chebi:mass "389.38090" ; chebi:monoisotopicmass "389.14993" ; chebi:smiles "CO\\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1" ; oboInOwl:hasDbXref "Beilstein:8361408" ; oboInOwl:hasDbXref "CAS:175463-14-6" ; oboInOwl:hasDbXref "DrugBank:DB01155" ; oboInOwl:hasDbXref "Drug_Central:1286" ; oboInOwl:hasDbXref "KEGG:D08012" ; oboInOwl:hasDbXref "Patent:EP688772" ; oboInOwl:hasDbXref "Patent:US5633262" ; oboInOwl:hasDbXref "Wikipedia:Gemifloxacin" ; oboInOwl:hasExactSynonym "7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "gemifloxacin" ; oboInOwl:id "CHEBI:101853" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "gemifloxacin" . _:b1144 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:8361408" ; rdfs:label "Beilstein" . _:b1145 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:175463-14-6" ; rdfs:label "ChemIDplus" . _:b1146 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:175463-14-6" ; rdfs:label "DrugBank" . _:b1147 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1286" ; rdfs:label "DrugCentral" . _:b1148 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1149 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101853 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "gemifloxacin" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_60911 . _:b1150 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b1150 . _:b1150 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_102030 . _:b1151 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b1151 . _:b1151 owl:onProperty obo:BFO_0000051 ; owl:someValuesFrom obo:CHEBI_102131 . _:b1152 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b1152 . _:b1152 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50176 . _:b1153 rdf:type owl:Restriction . obo:CHEBI_101854 rdfs:subClassOf _:b1153 . _:b1153 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50183 . obo:CHEBI_101854 obo:IAO_0000115 "A racemate comprising equimolar amounts of (R)- and (S)-talarozole. It is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; oboInOwl:hasDbXref "CAS:201410-53-9" ; oboInOwl:hasDbXref "KEGG:D09385" ; oboInOwl:hasDbXref "PMID:19120344" ; oboInOwl:hasDbXref "PMID:26921399" ; oboInOwl:hasDbXref "Reaxys:11737106" ; oboInOwl:hasDbXref "Wikipedia:Talarozole" ; oboInOwl:hasExactSynonym "rac-N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+-)-talarozole" ; oboInOwl:hasRelatedSynonym "(RS)-talarozole" ; oboInOwl:hasRelatedSynonym "N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine" ; oboInOwl:hasRelatedSynonym "N-(4-(2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine" ; oboInOwl:hasRelatedSynonym "R 115866" ; oboInOwl:hasRelatedSynonym "R115866" ; oboInOwl:hasRelatedSynonym "Rambazole" ; oboInOwl:hasRelatedSynonym "talarozole" ; oboInOwl:id "CHEBI:101854" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "talarozole" . _:b1154 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:201410-53-9" ; rdfs:label "ChemIDplus" . _:b1155 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:201410-53-9" ; rdfs:label "KEGG DRUG" . _:b1156 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19120344" ; rdfs:label "Europe PMC" . _:b1157 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26921399" ; rdfs:label "Europe PMC" . _:b1158 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:11737106" ; rdfs:label "Reaxys" . _:b1159 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "rac-N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1160 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-talarozole" ; oboInOwl:hasDbXref "ChEBI" . _:b1161 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(RS)-talarozole" ; oboInOwl:hasDbXref "ChEBI" . _:b1162 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1163 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(4-(2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1164 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "R 115866" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1165 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "R115866" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1166 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Rambazole" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:BRAND_NAME . _:b1167 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_101854 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "talarozole" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_101855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-DFIYOIEZSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13216" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13216" . obo:CHEBI_101856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19+,22+,25-/m1/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-ZAZKGPHZSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13217" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25+,26-/m1/s1" ; chebi:inchikey "VMOCTUISBGPURH-FXSWLTOZSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13218" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_101858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20-,21+/m0/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-NASSWSRMSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13219" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-YDIMBITNSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13220" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_101860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-WROXGLCASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13221" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13221" . obo:CHEBI_101861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-KNTRFNDTSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13222" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_101862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18+,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-RGIVZKHGSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13223" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13223" . obo:CHEBI_101863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28+/m1/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-XDIPAPSNSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13224" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25-,27+/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-RMXYQJDTSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13225" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19-/m0/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-FCEWJHQRSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13226" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-HZMVEIRTSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13227" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21+,22-,23+/m0/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-GSPCLOLRSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13228" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8R,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20+,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-FCXXMXSZSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13229" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21+,28-/m0/s1" ; chebi:inchikey "VUGFGKFGZUURHO-GTNJKRJXSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13230" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13230" . obo:CHEBI_101870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O4" ; chebi:inchi "InChI=1S/C20H29N3O4/c24-13-18-17(23-20(26)15-2-1-3-15)5-4-16(27-18)8-11-22-19(25)12-14-6-9-21-10-7-14/h6-7,9-10,15-18,24H,1-5,8,11-13H2,(H,22,25)(H,23,26)/t16-,17+,18+/m0/s1" ; chebi:inchikey "CZXCLXHYAUMTPI-RCCFBDPRSA-N" ; chebi:mass "375.463" ; chebi:monoisotopicmass "375.21581" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13231" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(1-oxo-2-pyridin-4-ylethyl)amino]ethyl]-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_101871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H25N3O4" ; chebi:inchi "InChI=1S/C19H25N3O4/c1-20(2)19(26)17-13(10-23)12-9-21-14(7-4-8-15(21)24)16(12)22(17)18(25)11-5-3-6-11/h4,7-8,11-13,16-17,23H,3,5-6,9-10H2,1-2H3/t12-,13-,16+,17-/m1/s1" ; chebi:inchikey "BHHDRXNUGFHOLE-UTJXIGIESA-N" ; chebi:mass "359.420" ; chebi:monoisotopicmass "359.18451" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1C(=O)C4CCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13232" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16+,17-/m0/s1" ; chebi:inchikey "COUPNDMEVDHIHS-BBWFWOEESA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13233" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_101873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16-,20+/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-TWOQFEAHSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13234" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C23H20FN3O6S" ; chebi:inchi "InChI=1S/C23H20FN3O6S/c24-16-3-1-2-4-19(16)34(32,33)27-18-11-26-17(21(27)20(23(30)31)15(18)12-28)6-5-14(22(26)29)13-7-9-25-10-8-13/h1-10,15,18,20-21,28H,11-12H2,(H,30,31)/t15-,18-,20+,21+/m0/s1" ; chebi:inchikey "OZRBNBICDFVIFO-GDVKCFTOSA-N" ; chebi:mass "485.487" ; chebi:monoisotopicmass "485.10568" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C(=O)N41)C5=CC=NC=C5)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13235" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13235" . obo:CHEBI_101875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26961 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H31N3O6S" ; chebi:inchi "InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23-,25-/m1/s1" ; chebi:inchikey "DZYZVJKKUJSUJU-GZGNHOFSSA-N" ; chebi:mass "549.640" ; chebi:monoisotopicmass "549.19336" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13236" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30N2O7" ; chebi:inchi "InChI=1S/C31H30N2O7/c34-16-28-30-24(13-22(39-28)14-29(35)33-10-9-18-3-1-2-4-20(18)15-33)23-12-21(6-8-25(23)40-30)32-31(36)19-5-7-26-27(11-19)38-17-37-26/h1-8,11-12,22,24,28,30,34H,9-10,13-17H2,(H,32,36)/t22-,24-,28-,30+/m1/s1" ; chebi:inchikey "DMKXNQOLMYQXCN-YEHIPITKSA-N" ; chebi:mass "542.580" ; chebi:monoisotopicmass "542.20530" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7" ; oboInOwl:hasDbXref "LINCS:LSM-13237" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-FHAGJXEFSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13238" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13238" . obo:CHEBI_101878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18-,20-,22+,24+/m1/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-RZLXXJEVSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13239" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_101879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32+,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-CJTKCQPWSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13240" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13240" . obo:CHEBI_101880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18+/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-RCCFBDPRSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13241" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_101881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H27N3O4" ; chebi:inchi "InChI=1S/C24H27N3O4/c1-15(29)27-20-13-26-19(22(27)21(18(20)14-28)24(31)25(2)3)12-11-17(23(26)30)10-9-16-7-5-4-6-8-16/h4-12,18,20-22,28H,13-14H2,1-3H3/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "SFMBZXLPYFCTAU-VXSCBNMQSA-N" ; chebi:mass "421.490" ; chebi:monoisotopicmass "421.20016" ; chebi:smiles "CC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13242" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13242" . obo:CHEBI_101882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20-,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-CEDBRAGKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13243" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22-/m0/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-DWLFOUALSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13244" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_101884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "HTNOASUNFPMBNX-JXYHXMIBSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13245" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-RZQQEMMASA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13246" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C23H27NO8S" ; chebi:inchi "InChI=1S/C23H27NO8S/c25-16-13-24(21-11-8-19(12-23(26)27)32-22(21)15-30-14-16)33(28,29)20-9-6-18(7-10-20)31-17-4-2-1-3-5-17/h1-7,9-10,16,19,21-22,25H,8,11-15H2,(H,26,27)/t16-,19-,21+,22-/m0/s1" ; chebi:inchikey "WUYMKGAOXGWOLL-VHHKXPHXSA-N" ; chebi:mass "477.529" ; chebi:monoisotopicmass "477.14574" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@@H]1CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13247" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid" . obo:CHEBI_101887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-11-7-6-8-12-24)38-33(32(29)31(40)17-18-41)27-15-9-13-25(19-27)26-14-10-16-28(20-26)35(43)39(4)5/h6-16,19-21,31,41H,17-18,22-23H2,1-5H3,(H,37,42)/t31-,45-/m0/s1" ; chebi:inchikey "LFBXRJWXGRWLKM-LPCUMCRCSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13248" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-YWWGLXIYSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-13249" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_101889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "CYYYAXPAVULRAL-HUOQQOJOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13250" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19-,24+/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-AXHZCLLHSA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13251" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_101891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22+,28-/m0/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-TYPXCFOJSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13252" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-RNHFSVANSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13253" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13253" . obo:CHEBI_101893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27-/m1/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-AVPJRLCVSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13254" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C26H30N2O4" ; chebi:inchi "InChI=1S/C26H30N2O4/c29-16-20-22-15-28-21(12-11-19(25(28)30)18-9-5-2-6-10-18)24(23(20)26(31)32)27(22)14-13-17-7-3-1-4-8-17/h1,3-4,7-9,11-12,20,22-24,29H,2,5-6,10,13-16H2,(H,31,32)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "BMAHPQVXADCICS-IQFVJIFQSA-N" ; chebi:mass "434.528" ; chebi:monoisotopicmass "434.22056" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CCC5=CC=CC=C5)CN3C2=O)CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13255" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13255" . obo:CHEBI_101895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1168 rdf:type owl:Restriction . obo:CHEBI_101895 rdfs:subClassOf _:b1168 . _:b1168 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_101895 chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-20-16-31(21(2)18-32)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)19-35-26(20)17-30(5)27(33)14-15-29(3)4/h6-13,20-21,26,32H,14-19H2,1-5H3/t20-,21+,26-/m1/s1" ; chebi:inchikey "IEBNCDQMHLDDBS-YZIHRLCOSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13256" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13256" . obo:CHEBI_101896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17+/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-IGCXYCKISA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13257" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-VQHPVUNQSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13258" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21+,23-/m0/s1" ; chebi:inchikey "ANPNCKARMDTJMY-WPYKKVEZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13259" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_101899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H23N3O3" ; chebi:inchi "InChI=1S/C17H23N3O3/c1-19-13-8-20-12(3-2-4-14(20)22)16(19)15(11(13)9-21)17(23)18-7-10-5-6-10/h2-4,10-11,13,15-16,21H,5-9H2,1H3,(H,18,23)/t11-,13-,15+,16+/m1/s1" ; chebi:inchikey "INXWNUBULGNKSP-OYNZBZHQSA-N" ; chebi:mass "317.383" ; chebi:monoisotopicmass "317.17394" ; chebi:smiles "CN1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13260" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13260" . obo:CHEBI_1019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29347 . _:b1169 rdf:type owl:Restriction . obo:CHEBI_1019 rdfs:subClassOf _:b1169 . _:b1169 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_15573 . _:b1170 rdf:type owl:Restriction . obo:CHEBI_1019 rdfs:subClassOf _:b1170 . _:b1170 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16359 . obo:CHEBI_1019 obo:IAO_0000115 "The N-(2-phosphoethyl0amide of cholic acid." ; chebi:charge "0" ; chebi:formula "C26H46NO7P" ; chebi:inchi "InChI=1S/C26H46NO7P/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H2,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" ; chebi:inchikey "BGUPNWPPECTFDP-HZAMXZRMSA-N" ; chebi:mass "515.61970" ; chebi:monoisotopicmass "515.30119" ; chebi:smiles "[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCP(O)(O)=O" ; oboInOwl:hasDbXref "CAS:13222-48-5" ; oboInOwl:hasDbXref "KEGG:C05683" ; oboInOwl:hasExactSynonym "{2-[(3alpha,7,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethyl}phosphonic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2-Aminoethylphosphocholate" ; oboInOwl:hasRelatedSynonym "Ciliatocholic acid" ; oboInOwl:id "CHEBI:1019" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-(2-phosphonoethyl)cholamide" . _:b1171 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1019 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:13222-48-5" ; rdfs:label "ChemIDplus" . _:b1172 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1019 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "{2-[(3alpha,7,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethyl}phosphonic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1173 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1019 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-Aminoethylphosphocholate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1174 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1019 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Ciliatocholic acid" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_10190 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28537 ; owl:deprecated true . obo:CHEBI_101900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22-/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-DMPWYTOCSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13261" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_101901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27-/m0/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-LNBJVWSJSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13262" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23+/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-YZZKKUAISA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13263" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_101903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15+,16-/m0/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-IMJJTQAJSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-13264" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_101904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28-/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-MPYJOUPCSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13265" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26+/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-GOHWNWGWSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13266" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_101906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21+/m1/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-MMOPVJDHSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13267" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-MMWGEVLESA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-13268" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_101908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-32-24-7-6-21(17-27(34)30-9-3-10-33-11-13-37-14-12-33)39-26(24)19-38-25-8-5-20(16-23(25)29(32)36)31-28(35)18-22-4-2-15-40-22/h2,4-5,8,15-16,21,24,26H,3,6-7,9-14,17-19H2,1H3,(H,30,34)(H,31,35)/t21-,24-,26+/m1/s1" ; chebi:inchikey "CJRLOTNMWBMMLN-QQSVUBKYSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13269" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_101909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33F3N2O5S" ; chebi:inchi "InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "VUGFGKFGZUURHO-GGJMMHKRSA-N" ; chebi:mass "590.656" ; chebi:monoisotopicmass "590.20623" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13270" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13270" . obo:CHEBI_10191 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17613 ; owl:deprecated true . obo:CHEBI_101910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20-/m0/s1" ; chebi:inchikey "RULZJLKRRRCHIA-ZWOKBUDYSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13271" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_101911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-HYFFOGBASA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13272" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_101912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23-,24+/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-JSRBNTPPSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13273" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_101913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14-,15+/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-KFWWJZLASA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13274" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_101914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17-,21-/m1/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-QLVMHMETSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@H]3CC[C@H]([C@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13275" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_101915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20-,25-/m0/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-RLSLOFABSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13276" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18-,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-OYSPMZIOSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13277" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13277" . obo:CHEBI_101917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-IHMNZUQTSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13278" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_101918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24+/m0/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-AXHZCLLHSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13279" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19-,20+/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-RLLQIKCJSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13280" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_10192 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17528 ; owl:deprecated true . obo:CHEBI_101920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C17H21FN2O4" ; chebi:inchi "InChI=1S/C17H21FN2O4/c1-20(2)16(22)9-13-7-8-14(15(10-21)24-13)19-17(23)11-3-5-12(18)6-4-11/h3-8,13-15,21H,9-10H2,1-2H3,(H,19,23)/t13-,14-,15-/m1/s1" ; chebi:inchikey "AKLLRXAVVXEIMF-RBSFLKMASA-N" ; chebi:mass "336.359" ; chebi:monoisotopicmass "336.14854" ; chebi:smiles "CN(C)C(=O)C[C@H]1C=C[C@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F" ; oboInOwl:hasDbXref "LINCS:LSM-13281" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide" . obo:CHEBI_101921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-37-29-8-3-2-6-25(29)17-33-31(36)16-27-9-10-28-30(39-27)21-38-20-26(35)19-34(28)18-22-5-4-7-24(15-22)23-11-13-32-14-12-23/h2-8,11-15,26-28,30,35H,9-10,16-21H2,1H3,(H,33,36)/t26-,27-,28+,30-/m1/s1" ; chebi:inchikey "IQZRHVPMCXNVFS-PJCXANEISA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13282" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23+,25+,27+,28-/m0/s1" ; chebi:inchikey "IXXIZSABFJAVRH-WYKYZISXSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13283" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_101923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C31H30F3N3O5" ; chebi:inchi "InChI=1S/C31H30F3N3O5/c32-31(33,34)20-5-7-21(8-6-20)35-30(40)36-22-9-10-26-24(13-22)25-14-23(41-27(17-38)29(25)42-26)15-28(39)37-12-11-18-3-1-2-4-19(18)16-37/h1-10,13,23,25,27,29,38H,11-12,14-17H2,(H2,35,36,40)/t23-,25-,27+,29+/m1/s1" ; chebi:inchikey "HHNPVBFCYHNCMG-UXLOVFDUSA-N" ; chebi:mass "581.583" ; chebi:monoisotopicmass "581.21376" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13284" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_101924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32FN3O4" ; chebi:inchi "InChI=1S/C25H32FN3O4/c1-16-13-28(3)17(2)15-33-22-10-9-20(27-24(30)18-7-6-8-19(26)11-18)12-21(22)25(31)29(4)14-23(16)32-5/h6-12,16-17,23H,13-15H2,1-5H3,(H,27,30)/t16-,17+,23+/m1/s1" ; chebi:inchikey "CFNBOAHXJHVCOD-DGGJZMOXSA-N" ; chebi:mass "457.539" ; chebi:monoisotopicmass "457.23768" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13285" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18+,26-/m0/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-DFXHWTJYSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13286" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-29(2)15-25(32)28-19-7-8-23-21(11-19)22-12-20(34-24(16-31)27(22)35-23)13-26(33)30-10-9-17-5-3-4-6-18(17)14-30/h3-8,11,20,22,24,27,31H,9-10,12-16H2,1-2H3,(H,28,32)/t20-,22+,24-,27-/m0/s1" ; chebi:inchikey "AJOHYGOUUFRWKL-QNKJOHNESA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-13287" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide" . obo:CHEBI_101927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22-,23+/m0/s1" ; chebi:inchikey "NLZWENHPOORBAO-BSWISCRUSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13288" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_101928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25-,26+/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-CYXNTTPDSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13289" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_101929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18-,19+,22-/m0/s1" ; chebi:inchikey "QICYWJCDSALLPT-VWNVYAMZSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13290" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10193 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18144 ; owl:deprecated true . obo:CHEBI_101930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29-/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-IEOSBIPESA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13291" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13291" . obo:CHEBI_101931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H41N5O3S" ; chebi:inchi "InChI=1S/C34H41N5O3S/c1-34(2,3)43(42)39-23-28-21-29(33(41)36-15-18-38-16-5-4-6-17-38)37-32(31(28)30(39)14-19-40)27-9-7-8-26(20-27)25-12-10-24(22-35)11-13-25/h7-13,20-21,30,40H,4-6,14-19,23H2,1-3H3,(H,36,41)/t30-,43-/m0/s1" ; chebi:inchikey "TZEAMANOEIDNTF-IPKWWJLYSA-N" ; chebi:mass "599.788" ; chebi:monoisotopicmass "599.29301" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13292" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_101932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O5" ; chebi:inchi "InChI=1S/C24H30N2O5/c1-26(2)16-8-9-21-18(10-16)19-11-17(30-22(14-27)24(19)31-21)12-23(28)25-13-15-6-4-5-7-20(15)29-3/h4-10,17,19,22,24,27H,11-14H2,1-3H3,(H,25,28)/t17-,19-,22-,24+/m1/s1" ; chebi:inchikey "YXRWVZTUBKEEPU-NAOSLSSXSA-N" ; chebi:mass "426.506" ; chebi:monoisotopicmass "426.21547" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=C4OC" ; oboInOwl:hasDbXref "LINCS:LSM-13293" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_101933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20-,26-/m0/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-DYLHXGEVSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13294" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_101934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-JZEPBHRJSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13295" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_101935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O6S" ; chebi:inchi "InChI=1S/C30H45N3O6S/c1-22-19-33(23(2)21-34)30(35)27-18-25(31(4)5)15-16-28(27)39-24(3)12-10-11-17-38-29(22)20-32(6)40(36,37)26-13-8-7-9-14-26/h7-9,13-16,18,22-24,29,34H,10-12,17,19-21H2,1-6H3/t22-,23+,24+,29-/m0/s1" ; chebi:inchikey "GPFIDTWNGXWRJK-SEAFADMZSA-N" ; chebi:mass "575.762" ; chebi:monoisotopicmass "575.30291" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13296" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23+,30+/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-HFZPWKHCSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13297" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13297" . obo:CHEBI_101937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C30H40N4O3S" ; chebi:inchi "InChI=1S/C30H40N4O3S/c1-30(2,3)38(37)34-20-24-19-25(29(36)33-15-13-32(4)14-16-33)31-28(27(24)26(34)12-17-35)23-11-7-10-22(18-23)21-8-5-6-9-21/h7-8,10-11,18-19,26,35H,5-6,9,12-17,20H2,1-4H3/t26-,38-/m1/s1" ; chebi:inchikey "VSPYGNDYHLSTDT-UOBPVEMNSA-N" ; chebi:mass "536.731" ; chebi:monoisotopicmass "536.28211" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13298" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_101938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20+/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-RZQQEMMASA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13299" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_101939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H38FN3O4" ; chebi:inchi "InChI=1S/C23H38FN3O4/c1-17(22(30-4)15-26(3)14-19-9-11-31-12-10-19)13-27(18(2)16-28)23(29)25-21-7-5-20(24)6-8-21/h5-8,17-19,22,28H,9-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1" ; chebi:inchikey "IUSZJOKEOVUDOA-HMFYCAOWSA-N" ; chebi:mass "439.565" ; chebi:monoisotopicmass "439.28463" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13300" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(4-oxanylmethyl)amino]butyl]urea" . obo:CHEBI_10194 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16275 ; owl:deprecated true . obo:CHEBI_101940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24+/m0/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-QPTUXGOLSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13301" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13301" . obo:CHEBI_101941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38ClN3O7S" ; chebi:inchi "InChI=1S/C29H38ClN3O7S/c1-19-16-33(41(36,37)24-8-5-22(30)6-9-24)20(2)18-40-26-10-7-23(31-28(34)21-11-13-39-14-12-21)15-25(26)29(35)32(3)17-27(19)38-4/h5-10,15,19-21,27H,11-14,16-18H2,1-4H3,(H,31,34)/t19-,20-,27-/m1/s1" ; chebi:inchikey "IYBICYHBWQURDQ-SEXOINJZSA-N" ; chebi:mass "608.148" ; chebi:monoisotopicmass "607.21190" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13302" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_101942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C29H36N4O3" ; chebi:inchi "InChI=1S/C29H36N4O3/c34-18-23-25-17-33-24(9-8-22(29(33)36)21-4-2-1-3-5-21)27(32(25)16-20-6-7-20)26(23)28(35)31-15-12-19-10-13-30-14-11-19/h4,8-11,13-14,20,23,25-27,34H,1-3,5-7,12,15-18H2,(H,31,35)/t23-,25-,26+,27+/m0/s1" ; chebi:inchikey "FIQPJBHILIXVDO-ALLMYJPZSA-N" ; chebi:mass "488.622" ; chebi:monoisotopicmass "488.27874" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5CC5)CN3C2=O)CO)C(=O)NCCC6=CC=NC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13303" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13303" . obo:CHEBI_101943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28+/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-DKRHUIDYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13304" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22-,24-,26+,28+/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-WIAMOBPISA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13305" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_101945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26+,28-/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-YIOBJHAYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13306" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_101946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H32N2O7S" ; chebi:inchi "InChI=1S/C21H32N2O7S/c1-28-18-4-2-3-5-20(18)31(26,27)23-17-7-6-16(30-19(17)14-24)8-11-22-21(25)15-9-12-29-13-10-15/h2-5,15-17,19,23-24H,6-14H2,1H3,(H,22,25)/t16-,17-,19+/m1/s1" ; chebi:inchikey "BDFFQCHCBQOAPA-LMMKCTJWSA-N" ; chebi:mass "456.555" ; chebi:monoisotopicmass "456.19302" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13307" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide" . obo:CHEBI_101947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28+/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-RXYILKCJSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13308" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13308" . obo:CHEBI_101948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)15-6-3-5-14(11-15)17-9-10-20-22-21(23(31)26-16-7-4-8-16)18(13-30)19(27-22)12-29(20)25(17)33/h3,5-6,9-11,16,18-19,21-22,27,30H,4,7-8,12-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22+/m0/s1" ; chebi:inchikey "NFKFSUDWHJDXEV-SEIRJHJZSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13309" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13309" . obo:CHEBI_101949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H30F3N3O3" ; chebi:inchi "InChI=1S/C24H30F3N3O3/c25-24(26,27)9-10-29-19-12-30-18(8-7-16(23(30)33)15-3-1-2-4-15)21(29)20(17(19)13-31)22(32)28-11-14-5-6-14/h3,7-8,14,17,19-21,31H,1-2,4-6,9-13H2,(H,28,32)/t17-,19-,20+,21+/m0/s1" ; chebi:inchikey "AMCQVYASXAVENJ-MJUUVYJYSA-N" ; chebi:mass "465.509" ; chebi:monoisotopicmass "465.22393" ; chebi:smiles "C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CCC(F)(F)F)CN3C2=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13310" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13310" . obo:CHEBI_10195 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16818 ; owl:deprecated true . obo:CHEBI_101950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O5S" ; chebi:inchi "InChI=1S/C30H36N2O5S/c1-21-11-5-10-16-29(21)38(35,36)31(4)18-28-22(2)17-32(23(3)19-33)30(34)27-15-9-8-14-26(27)25-13-7-6-12-24(25)20-37-28/h5-16,22-23,28,33H,17-20H2,1-4H3/t22-,23+,28-/m1/s1" ; chebi:inchikey "RCQCJVVJEHACDL-AWVRMFGXSA-N" ; chebi:mass "536.684" ; chebi:monoisotopicmass "536.23449" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13311" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13311" . obo:CHEBI_101951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25-/m1/s1" ; chebi:inchikey "RHXUULWZVSTJED-MPCDZSKCSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13312" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_101952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21-/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-HLAWJBBLSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13313" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_101953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19-,20-/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-MISYRCLQSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13314" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_101954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16+,17-/m0/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-BBWFWOEESA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13315" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_101955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-ODZKNYGOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13316" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_101956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-XLNZFTOWSA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13317" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_101957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16+,18-/m0/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-JZXOWHBKSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13318" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_101958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-DFIYOIEZSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13319" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13319" . obo:CHEBI_101959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12-,13-/m0/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-XDTLVQLUSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)O)F" ; oboInOwl:hasDbXref "LINCS:LSM-13320" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_10196 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28870 ; owl:deprecated true . obo:CHEBI_101960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26+,28+,29-/m0/s1" ; chebi:inchikey "LOPBZILAZMWERO-MFACLRLHSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13321" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_101961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21+,23-/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-XJUOHMSHSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13322" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30-/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-ZDEDIGJLSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13323" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13323" . obo:CHEBI_101963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20+/m0/s1" ; chebi:inchikey "MPULVBUDJGIXBK-XKGZKEIXSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13324" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_101964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29+/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-BXOOBUKZSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13325" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13325" . obo:CHEBI_101965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H29N3O4" ; chebi:inchi "InChI=1S/C23H29N3O4/c1-2-24-21(28)20-17(12-27)16-11-25-18(19(16)26(20)22(29)14-7-8-14)10-9-15(23(25)30)13-5-3-4-6-13/h5,9-10,14,16-17,19-20,27H,2-4,6-8,11-12H2,1H3,(H,24,28)/t16-,17-,19+,20-/m0/s1" ; chebi:inchikey "NWUADCREYHZISA-XEYPJELSSA-N" ; chebi:mass "411.495" ; chebi:monoisotopicmass "411.21581" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1C(=O)C5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13326" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-[cyclopropyl(oxo)methyl]-N-ethyl-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_101966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-25(35)33-24-15-32-23(8-7-21(29(32)37)17-9-11-30-12-10-17)27(33)26(22(24)16-34)28(36)31-20-13-18-5-3-4-6-19(18)14-20/h3-12,20,22,24,26-27,34H,2,13-16H2,1H3,(H,31,36)/t22-,24-,26+,27+/m1/s1" ; chebi:inchikey "SUYOEXJQLWDMBI-CIOIWQPASA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-13327" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13327" . obo:CHEBI_101967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29-/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-BOSRLCDASA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13328" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13328" . obo:CHEBI_101968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19-,23-/m0/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-NVVBAYIOSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13329" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-ZQRMPTRQSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13330" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_10197 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28383 ; owl:deprecated true . obo:CHEBI_101970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18+,22-,24-/m0/s1" ; chebi:inchikey "XORJDKZTELKQNH-YDGOEMPPSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13331" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_101971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17+,19+/m0/s1" ; chebi:inchikey "UVJMALWFIRFJAR-YQVWRLOYSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13332" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_101972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H32N2O7S" ; chebi:inchi "InChI=1S/C24H32N2O7S/c1-17(13-26(18(2)15-27)34(29,30)20-8-6-5-7-9-20)23(31-4)14-25(3)24(28)19-10-11-21-22(12-19)33-16-32-21/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "ADONDIFMYIEKMI-IEGUWTFLSA-N" ; chebi:mass "492.587" ; chebi:monoisotopicmass "492.19302" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13333" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-CADBVGFASA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-13334" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_101974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25-,27+/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-HXMVMFLPSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13335" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_101975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-2-30-23-17-31-22(10-9-20(27(31)34)19-7-4-3-5-8-19)25(30)24(21(23)18-32)26(33)28-11-6-12-29-13-15-35-16-14-29/h3-5,7-10,21,23-25,32H,2,6,11-18H2,1H3,(H,28,33)/t21-,23-,24+,25+/m1/s1" ; chebi:inchikey "VXNMHMGWLBIVRP-VGCGRUFVSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13336" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13336" . obo:CHEBI_101976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-25(2)22(27)12-16-11-19-18-10-14(4-9-20(18)32-23(19)21(13-26)31-16)24-33(28,29)17-7-5-15(30-3)6-8-17/h4-10,16,19,21,23-24,26H,11-13H2,1-3H3/t16-,19+,21-,23-/m1/s1" ; chebi:inchikey "GJVLYDQXVFQAHZ-LQOJQYNMSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13337" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_101977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C33H40N2O5" ; chebi:inchi "InChI=1S/C33H40N2O5/c1-23-18-35(24(2)21-36)33(37)29-14-7-6-13-28(29)27-12-5-4-10-26(27)22-40-31(23)20-34(3)19-25-11-8-15-30-32(25)39-17-9-16-38-30/h4-8,10-15,23-24,31,36H,9,16-22H2,1-3H3/t23-,24+,31-/m1/s1" ; chebi:inchikey "MEBNTFIGGVDNJI-ULPIOCOXSA-N" ; chebi:mass "544.682" ; chebi:monoisotopicmass "544.29372" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=C5C(=CC=C4)OCCCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13338" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13338" . obo:CHEBI_101978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H32N2O7S" ; chebi:inchi "InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25+,27+,29-/m1/s1" ; chebi:inchikey "AJAMEWYBAUQISK-CMRYXKCBSA-N" ; chebi:mass "552.641" ; chebi:monoisotopicmass "552.19302" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13339" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_101979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29+/m0/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-IHMCZWCLSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13340" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13340" . obo:CHEBI_10198 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18195 ; owl:deprecated true . obo:CHEBI_101980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "JYNGQINEBKOLSY-PMAPCBKXSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13341" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_101981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-HCXYKTFWSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13342" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_101982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H27N3O2" ; chebi:inchi "InChI=1S/C21H27N3O2/c1-2-12-23-21(26)24-18(13-22)20(19(24)14-25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-20,25H,2-5,7,12,14H2,1H3,(H,23,26)/t18-,19-,20+/m0/s1" ; chebi:inchikey "BSUDBHASFVKNIG-SLFFLAALSA-N" ; chebi:mass "353.459" ; chebi:monoisotopicmass "353.21033" ; chebi:smiles "CCCNC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CCCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13343" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-2-cyano-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_101983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16+/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-SQWLQELKSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13344" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_101984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17-,18+/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XLAORIBOSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13345" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27-/m1/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-LGVUCKNBSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13346" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13346" . obo:CHEBI_101986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19-,27+/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-RWYJCYHVSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13347" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_101987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18+,19-/m1/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-NZSAHSFTSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13348" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_101988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21-,28+/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-YHGPEZAFSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13349" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_101989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-KJJMTIBFSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13350" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10199 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18234 ; owl:deprecated true . obo:CHEBI_101990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18-,22+/m1/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-HMFYCAOWSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13351" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_101991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22+/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-FCEUIQTBSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-13352" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_101992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m0/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IXFSTUDKSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13353" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_101993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22+,24-/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-ZBJYJBBSSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13354" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_101994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-4-21-19(25)10-14-6-7-16-18(28-14)11-27-17-8-5-13(22-12(2)24)9-15(17)20(26)23(16)3/h5,8-9,14,16,18H,4,6-7,10-11H2,1-3H3,(H,21,25)(H,22,24)/t14-,16+,18-/m0/s1" ; chebi:inchikey "WVVDCAKHEAPTNY-LESCRADOSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13355" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide" . obo:CHEBI_101995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17+,19+,21-/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-ZWVMGRIOSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13356" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_101996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-18-14-28(15-20-9-7-6-8-10-20)19(2)17-33-23-13-21(26-34(5,30)31)11-12-22(23)25(29)27(3)16-24(18)32-4/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "DDFXZAACYDZOLE-YDIMBITNSA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13357" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_101997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H26F2N2O4" ; chebi:inchi "InChI=1S/C23H26F2N2O4/c1-27(2)15-4-6-20-17(8-15)18-9-16(30-21(12-28)23(18)31-20)10-22(29)26-11-13-7-14(24)3-5-19(13)25/h3-8,16,18,21,23,28H,9-12H2,1-2H3,(H,26,29)/t16-,18-,21+,23+/m0/s1" ; chebi:inchikey "PXUWSZVSXCWDJI-JOXJFCDYSA-N" ; chebi:mass "432.461" ; chebi:monoisotopicmass "432.18606" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13358" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_101998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37FN4O4" ; chebi:inchi "InChI=1S/C27H37FN4O4/c1-6-13-32-15-18(2)25(35-5)16-31(4)26(33)21-14-20(11-12-24(21)36-17-19(32)3)29-27(34)30-23-10-8-7-9-22(23)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,29,30,34)/t18-,19-,25-/m1/s1" ; chebi:inchikey "HTKHLCDDEOIAQO-MPCDZSKCSA-N" ; chebi:mass "500.607" ; chebi:monoisotopicmass "500.27988" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13359" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_101999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19+/m1/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-QRVBRYPASA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO)F" ; oboInOwl:hasDbXref "LINCS:LSM-13360" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:101999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15410 ; owl:deprecated true . obo:CHEBI_1020 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37012 ; owl:deprecated true . obo:CHEBI_102000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-16-18-20-15-28-19(9-6-10-21(28)31)23(29(20)25(33)17-7-2-1-3-8-17)22(18)24(32)26-11-14-27-12-4-5-13-27/h1-3,6-10,18,20,22-23,30H,4-5,11-16H2,(H,26,32)/t18-,20-,22+,23+/m0/s1" ; chebi:inchikey "PKPWMBUSHHCIMQ-NEKRIBJYSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CCN(C1)CCNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13361" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13361" . obo:CHEBI_102001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14-,15-,18+/m0/s1" ; chebi:inchikey "YFRMSEXFMHDWES-YRBFXIGRSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13362" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25-,27+/m0/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-YSDDDFLKSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13363" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21-/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-LVCYWYKZSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13364" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H21FN2O3" ; chebi:inchi "InChI=1S/C15H21FN2O3/c16-12-4-2-1-3-11(12)15(20)18-13-6-5-10(7-8-17)21-14(13)9-19/h1-4,10,13-14,19H,5-9,17H2,(H,18,20)/t10-,13-,14-/m0/s1" ; chebi:inchikey "DUQQDWAUZUWJHX-BPNCWPANSA-N" ; chebi:mass "296.338" ; chebi:monoisotopicmass "296.15362" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCN)CO)NC(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-13365" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide" . obo:CHEBI_102005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H16N2O4" ; chebi:inchi "InChI=1S/C19H16N2O4/c20-9-14-18(12-4-2-1-3-5-12)15(10-22)21(14)19(23)13-6-7-16-17(8-13)25-11-24-16/h1-8,14-15,18,22H,10-11H2/t14-,15+,18-/m0/s1" ; chebi:inchikey "NUSFKYNBTAYYBW-DAYGRLMNSA-N" ; chebi:mass "336.342" ; chebi:monoisotopicmass "336.11101" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@@H]([C@H]([C@@H]3C#N)C4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13366" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20+,21-/m1/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-IVAOSVALSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-13367" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-CLKGCZJISA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13368" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-QXPQREGVSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13369" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35FN2O6S" ; chebi:inchi "InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "CDWYTZLAFHIRLQ-YXPKMTABSA-N" ; chebi:mass "498.610" ; chebi:monoisotopicmass "498.21999" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13370" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_10201 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18283 ; owl:deprecated true . obo:CHEBI_102010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27-,29+/m1/s1" ; chebi:inchikey "WERZBRNJFLNQTM-HMISVTBFSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13371" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26N4O5S" ; chebi:inchi "InChI=1S/C20H26N4O5S/c1-14-3-2-4-16(11-14)30(27,28)24-17-6-5-15(29-19(17)13-25)7-8-23-20(26)18-12-21-9-10-22-18/h2-4,9-12,15,17,19,24-25H,5-8,13H2,1H3,(H,23,26)/t15-,17+,19-/m0/s1" ; chebi:inchikey "LUVVHBIYDBULDN-WDYCEAGBSA-N" ; chebi:mass "434.511" ; chebi:monoisotopicmass "434.16239" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNC(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13372" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22+,24-/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-HJBWUJCXSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13373" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-FFLNWOAESA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13374" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13374" . obo:CHEBI_102014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16-,21+/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-ZOCZFRKYSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13375" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-21(2)18(24)9-15-3-4-16-17(27-15)12-26-11-14(23)10-22(16)19(25)13-5-7-20-8-6-13/h5-8,14-17,23H,3-4,9-12H2,1-2H3/t14-,15+,16+,17-/m0/s1" ; chebi:inchikey "JDHZCDHPHAWVKT-HZMVEIRTSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3=CC=NC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13376" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5S" ; chebi:inchi "InChI=1S/C25H37N5O5S/c1-17-11-30(12-19-6-7-19)18(2)15-35-22-9-8-20(27-36(32,33)24-14-28(3)16-26-24)10-21(22)25(31)29(4)13-23(17)34-5/h8-10,14,16-19,23,27H,6-7,11-13,15H2,1-5H3/t17-,18-,23+/m1/s1" ; chebi:inchikey "QARSUPNDRVVANH-PNCHPQGNSA-N" ; chebi:mass "519.659" ; chebi:monoisotopicmass "519.25154" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13377" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_102017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1" ; chebi:inchikey "FSCHPCZBUZXFPL-RSUXDYMJSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13378" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16-,20-/m1/s1" ; chebi:inchikey "LVUSIZZVUUASSP-JXXFODFXSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13379" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_102019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14+/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MELADBBJSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13380" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_10202 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16551 ; owl:deprecated true . obo:CHEBI_102020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21+/m1/s1" ; chebi:inchikey "UCQARJGLVBPITC-HKBOAZHASA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13381" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-15-12-24-16(2)14-31-20-11-18(25-22(27)17-7-9-30-10-8-17)5-6-19(20)23(28)26(3)13-21(15)29-4/h5-6,11,15-17,21,24H,7-10,12-14H2,1-4H3,(H,25,27)/t15-,16-,21-/m1/s1" ; chebi:inchikey "BIFUFKYMXIZDEA-WHSLLNHNSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13382" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16-,18+,21+/m0/s1" ; chebi:inchikey "ZSBYESKXZOGBOW-XYPVVTQSSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-13383" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-RETDLFGGSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13384" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13384" . obo:CHEBI_102024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H32FN5O5" ; chebi:inchi "InChI=1S/C30H32FN5O5/c1-36-25-8-7-21(17-28(37)33-15-12-19-10-13-32-14-11-19)41-27(25)18-40-26-9-6-20(16-22(26)29(36)38)34-30(39)35-24-5-3-2-4-23(24)31/h2-6,9-11,13-14,16,21,25,27H,7-8,12,15,17-18H2,1H3,(H,33,37)(H2,34,35,39)/t21-,25+,27-/m1/s1" ; chebi:inchikey "KLEFMXRWIUTPPC-NKPLSRDGSA-N" ; chebi:mass "561.605" ; chebi:monoisotopicmass "561.23875" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13385" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C16H17N3OS" ; chebi:inchi "InChI=1S/C16H17N3OS/c1-10-11(2)21-16(18-10)19-13(8-17)15(14(19)9-20)12-6-4-3-5-7-12/h3-7,13-15,20H,9H2,1-2H3/t13-,14-,15-/m0/s1" ; chebi:inchikey "AVGQIEGBBUBHIP-KKUMJFAQSA-N" ; chebi:mass "299.392" ; chebi:monoisotopicmass "299.10923" ; chebi:smiles "CC1=C(SC(=N1)N2[C@H]([C@H]([C@@H]2C#N)C3=CC=CC=C3)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-13386" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-(4,5-dimethyl-2-thiazolyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1175 rdf:type owl:Restriction . obo:CHEBI_102026 rdfs:subClassOf _:b1175 . _:b1175 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102026 chebi:charge "0" ; chebi:formula "C25H28FN3O3" ; chebi:inchi "InChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "NDSDOOPKNRYURC-JFJDKTSWSA-N" ; chebi:mass "437.507" ; chebi:monoisotopicmass "437.21147" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NCC5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13387" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13387" . obo:CHEBI_102027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17+,21-,23-/m1/s1" ; chebi:inchikey "KFOACEMMMUKWEO-AIVLZAJPSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-13388" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24-/m0/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-APTRMMRNSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13389" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23230 ; rdfs:subClassOf obo:CHEBI_35624 ; rdfs:subClassOf obo:CHEBI_37143 ; rdfs:subClassOf obo:CHEBI_37948 ; rdfs:subClassOf obo:CHEBI_55370 . _:b1176 rdf:type owl:Restriction . obo:CHEBI_102029 rdfs:subClassOf _:b1176 . _:b1176 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b1177 rdf:type owl:Restriction . obo:CHEBI_102029 rdfs:subClassOf _:b1177 . _:b1177 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48550 . obo:CHEBI_102029 obo:IAO_0000115 "An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring." ; chebi:charge "0" ; chebi:formula "C11H9FN2O3" ; chebi:inchi "InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1" ; chebi:inchikey "LXANPKRCLVQAOG-NSHDSACASA-N" ; chebi:mass "236.19920" ; chebi:monoisotopicmass "236.05972" ; chebi:smiles "Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1" ; oboInOwl:hasAlternativeId "CHEBI:45392" ; oboInOwl:hasDbXref "CAS:68367-52-2" ; oboInOwl:hasDbXref "DrugBank:DB02712" ; oboInOwl:hasDbXref "PDBeChem:SBI" ; oboInOwl:hasDbXref "PMID:10875546" ; oboInOwl:hasDbXref "PMID:10933817" ; oboInOwl:hasDbXref "PMID:11048957" ; oboInOwl:hasDbXref "PMID:11900277" ; oboInOwl:hasDbXref "PMID:18772236" ; oboInOwl:hasDbXref "PMID:19821053" ; oboInOwl:hasDbXref "PMID:20138035" ; oboInOwl:hasDbXref "PMID:20308528" ; oboInOwl:hasDbXref "PMID:20354121" ; oboInOwl:hasDbXref "PMID:21129963" ; oboInOwl:hasDbXref "PMID:29438107" ; oboInOwl:hasDbXref "PMID:7564101" ; oboInOwl:hasDbXref "PMID:7591626" ; oboInOwl:hasDbXref "PMID:8159110" ; oboInOwl:hasDbXref "PMID:8692029" ; oboInOwl:hasDbXref "PMID:9007520" ; oboInOwl:hasDbXref "PMID:9088040" ; oboInOwl:hasDbXref "PMID:9195881" ; oboInOwl:hasDbXref "PMID:9349546" ; oboInOwl:hasDbXref "Patent:DE2821966" ; oboInOwl:hasDbXref "Patent:US4130714" ; oboInOwl:hasDbXref "Reaxys:4297401" ; oboInOwl:hasDbXref "Wikipedia:Sorbinil" ; oboInOwl:hasExactSynonym "(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(S)-6-Fluorospiro(chroman-4,4'-imidazolidine)-2',5'-dione" ; oboInOwl:hasRelatedSynonym "sorbinil" ; oboInOwl:hasRelatedSynonym "sorbinilo" ; oboInOwl:hasRelatedSynonym "sorbinilum" ; oboInOwl:hasRelatedSynonym "sorbinol" ; oboInOwl:id "CHEBI:102029" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sorbinil" . _:b1178 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:68367-52-2" ; rdfs:label "ChemIDplus" . _:b1179 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10875546" ; rdfs:label "Europe PMC" . _:b1180 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10933817" ; rdfs:label "Europe PMC" . _:b1181 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11048957" ; rdfs:label "Europe PMC" . _:b1182 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11900277" ; rdfs:label "Europe PMC" . _:b1183 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18772236" ; rdfs:label "Europe PMC" . _:b1184 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19821053" ; rdfs:label "Europe PMC" . _:b1185 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20138035" ; rdfs:label "Europe PMC" . _:b1186 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20308528" ; rdfs:label "Europe PMC" . _:b1187 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20354121" ; rdfs:label "Europe PMC" . _:b1188 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21129963" ; rdfs:label "Europe PMC" . _:b1189 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:29438107" ; rdfs:label "Europe PMC" . _:b1190 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:7564101" ; rdfs:label "Europe PMC" . _:b1191 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:7591626" ; rdfs:label "Europe PMC" . _:b1192 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8159110" ; rdfs:label "Europe PMC" . _:b1193 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8692029" ; rdfs:label "Europe PMC" . _:b1194 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9007520" ; rdfs:label "Europe PMC" . _:b1195 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9088040" ; rdfs:label "Europe PMC" . _:b1196 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9195881" ; rdfs:label "Europe PMC" . _:b1197 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9349546" ; rdfs:label "Europe PMC" . _:b1198 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:4297401" ; rdfs:label "Reaxys" . _:b1199 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1200 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-6-Fluorospiro(chroman-4,4'-imidazolidine)-2',5'-dione" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1201 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sorbinil" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1202 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sorbinilo" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1203 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sorbinilum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1204 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102029 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sorbinol" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_10203 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15802 ; owl:deprecated true . obo:CHEBI_102030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_102167 . _:b1205 rdf:type owl:Restriction . obo:CHEBI_102030 rdfs:subClassOf _:b1205 . _:b1205 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_102131 . obo:CHEBI_102030 obo:IAO_0000115 "An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (R)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m1/s1" ; chebi:inchikey "SNFYYXUGUBUECJ-HXUWFJFHSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)[C@@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasDbXref "CAS:870093-23-5" ; oboInOwl:hasDbXref "Reaxys:10701600" ; oboInOwl:hasExactSynonym "N-{4-[(1R)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102030" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(R)-talarozole" . _:b1206 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102030 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:870093-23-5" ; rdfs:label "ChemIDplus" . _:b1207 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102030 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:10701600" ; rdfs:label "Reaxys" . _:b1208 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102030 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-{4-[(1R)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_102031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H39N5O3S" ; chebi:inchi "InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-13-16-37-14-4-5-15-37)36-31(30(27)29(38)12-17-39)26-11-7-10-25(19-26)24-9-6-8-23(18-24)21-34/h6-11,18-20,29,39H,4-5,12-17,22H2,1-3H3,(H,35,40)/t29-,42-/m1/s1" ; chebi:inchikey "RNFNRXMTASYMQO-LIIBOVGXSA-N" ; chebi:mass "585.762" ; chebi:monoisotopicmass "585.27736" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCCN5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13391" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H24Cl2FN3O4" ; chebi:inchi "InChI=1S/C22H24Cl2FN3O4/c23-17-7-5-15(11-18(17)24)27-22(31)28-19-8-6-16(32-20(19)12-29)9-10-26-21(30)13-1-3-14(25)4-2-13/h1-5,7,11,16,19-20,29H,6,8-10,12H2,(H,26,30)(H2,27,28,31)/t16-,19+,20+/m0/s1" ; chebi:inchikey "ONEMPWMAPHHZJV-PWIZWCRZSA-N" ; chebi:mass "484.349" ; chebi:monoisotopicmass "483.11279" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)C2=CC=C(C=C2)F)CO)NC(=O)NC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13392" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide" . obo:CHEBI_102033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21-,22+/m0/s1" ; chebi:inchikey "INJNPRWYOQJIJD-ILWGZMRPSA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-13393" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C32H30N4O7" ; chebi:inchi "InChI=1S/C32H30N4O7/c1-36-25-9-8-23(14-30(37)34-16-20-4-10-27-28(12-20)42-18-41-27)43-29(25)17-40-26-11-7-22(13-24(26)32(36)39)35-31(38)21-5-2-19(15-33)3-6-21/h2-7,10-13,23,25,29H,8-9,14,16-18H2,1H3,(H,34,37)(H,35,38)/t23-,25+,29-/m1/s1" ; chebi:inchikey "XHIYWAJDGXOPCH-OBZNHSRCSA-N" ; chebi:mass "582.604" ; chebi:monoisotopicmass "582.21145" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13394" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide" . obo:CHEBI_102035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-15-8-9-16-29(28)35(32)4)27-14-7-6-11-24(27)21-42-30(22)19-34(3)43(39,40)26-13-10-12-25(17-26)41-5/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23-,30-/m1/s1" ; chebi:inchikey "ZFRPCBGONKGXGW-IQLGONJTSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13395" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13395" . obo:CHEBI_102036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-14-6-3-4-8-18(14)32(29,30)25-17-12-24-16(7-5-9-19(24)27)21(25)20(15(17)13-26)22(28)23-10-11-31-2/h3-9,15,17,20-21,26H,10-13H2,1-2H3,(H,23,28)/t15-,17-,20+,21+/m1/s1" ; chebi:inchikey "MTAIFDHMXJWVCS-SLWXAUBPSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-13396" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13396" . obo:CHEBI_102037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-JXQFQVJHSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13397" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13397" . obo:CHEBI_102038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26-/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-BVFVYWQFSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13398" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_102039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-SHRQFBHGSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13399" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13399" . obo:CHEBI_10204 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35411 ; owl:deprecated true . obo:CHEBI_102040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-ZGFYZEPBSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13400" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13400" . obo:CHEBI_102041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-YDXRHMNESA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13401" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_102042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31FN4O5" ; chebi:inchi "InChI=1S/C25H31FN4O5/c1-14(2)28-25(34)30-20-12-29-19(8-7-17(24(29)33)15-5-4-6-16(26)11-15)22(30)21(18(20)13-31)23(32)27-9-10-35-3/h4-8,11,14,18,20-22,31H,9-10,12-13H2,1-3H3,(H,27,32)(H,28,34)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "RKZCTJVPZQLRIW-VXSCBNMQSA-N" ; chebi:mass "486.537" ; chebi:monoisotopicmass "486.22785" ; chebi:smiles "CC(C)NC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-13402" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13402" . obo:CHEBI_102043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H25F2N5O3" ; chebi:inchi "InChI=1S/C25H25F2N5O3/c1-30(2)25(35)23-19(12-33)18-11-31-21(6-4-17(24(31)34)15-8-28-13-29-9-15)22(18)32(23)10-14-7-16(26)3-5-20(14)27/h3-9,13,18-19,22-23,33H,10-12H2,1-2H3/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "GNOSXJXTVJBPTF-PJIZGREPSA-N" ; chebi:mass "481.495" ; chebi:monoisotopicmass "481.19255" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@H]2N1CC5=C(C=CC(=C5)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13403" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22-/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-DIMUUIPOSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13404" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13404" . obo:CHEBI_102045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-USHXRURQSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13405" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IXFSTUDKSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13406" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20-,21-/m0/s1" ; chebi:inchikey "QYROUQDLUMQXKE-JBACZVJFSA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13407" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26+,28+/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-MSUVVHHUSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13408" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16+,22+/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-WJONJSRFSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13409" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10205 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28449 ; owl:deprecated true . obo:CHEBI_102050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13(14-7-4-3-5-8-14)22-21(27)20-16(12-25)15-11-23-17(9-6-10-18(23)26)19(15)24(20)30(2,28)29/h3-10,13,15-16,19-20,25H,11-12H2,1-2H3,(H,22,27)/t13-,15-,16-,19+,20-/m1/s1" ; chebi:inchikey "LURAPRBVZDLHCY-RFXCRVDXSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13410" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26+/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-NOOIUNMQSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13411" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-IAAVTCLWSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13412" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13412" . obo:CHEBI_102053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-PYTYSOFPSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13413" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26+,28-/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-CJCBTBSHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-13414" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C23H27FN4O5" ; chebi:inchi "InChI=1S/C23H27FN4O5/c24-16-3-1-15(2-4-16)10-27-22(30)9-18-5-6-20-21(33-18)14-32-13-17(29)12-28(20)23(31)19-11-25-7-8-26-19/h1-4,7-8,11,17-18,20-21,29H,5-6,9-10,12-14H2,(H,27,30)/t17-,18+,20-,21+/m1/s1" ; chebi:inchikey "AVCDQRNGDYLZTC-JYRKZWEQSA-N" ; chebi:mass "458.484" ; chebi:monoisotopicmass "458.19655" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13415" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C27H33N3O6" ; chebi:inchi "InChI=1S/C27H33N3O6/c1-30-22-10-9-20(16-25(31)28-12-13-34-2)36-24(22)17-35-23-11-8-19(15-21(23)27(30)33)29-26(32)14-18-6-4-3-5-7-18/h3-8,11,15,20,22,24H,9-10,12-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,22-,24+/m1/s1" ; chebi:inchikey "CUJGJHGFROPBKV-BKULYWANSA-N" ; chebi:mass "495.568" ; chebi:monoisotopicmass "495.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CC=C4)CC(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-13416" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m1/s1" ; chebi:inchikey "UAPJRYKULVRBJS-ASASOQJESA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13417" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25+,27+/m1/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-PWMMPXSUSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13418" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22+,24-/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-JCTONOIOSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13419" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_10206 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_48428 ; owl:deprecated true . obo:CHEBI_102060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m0/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-CEYNDMKZSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13420" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O6" ; chebi:inchi "InChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23-,26-,28+/m0/s1" ; chebi:inchikey "SYQUHMCSVCULSJ-ZVMBZZGVSA-N" ; chebi:mass "585.572" ; chebi:monoisotopicmass "585.20867" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13421" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c28-18-5-3-17(4-6-18)20-7-8-23-24-21(13-32(23)27(20)36)22(14-34)25(33(24)12-16-1-2-16)26(35)30-11-19-9-10-29-15-31-19/h3-10,15-16,21-22,24-25,34H,1-2,11-14H2,(H,30,35)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "URDKMROJZUNSLX-YQIMAOPZSA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "C1CC1CN2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CC=C(C=C5)F)[C@H]([C@@H]2C(=O)NCC6=NC=NC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13422" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H31F3N2O5S" ; chebi:inchi "InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "YLVWKLWKMUPGPR-PMAPCBKXSA-N" ; chebi:mass "528.586" ; chebi:monoisotopicmass "528.19058" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13423" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13423" . obo:CHEBI_102064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19-,26-/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-LJKQEARRSA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13424" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_102065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21-,23-/m1/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-KJXAQDMKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13425" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102066 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29-,31+/m0/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-BALKIKAKSA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13426" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102066" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_102067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18+,23+/m0/s1" ; chebi:inchikey "NINYSMYJRLQSCV-YZZKKUAISA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13427" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102067" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16+,18-,19+/m0/s1" ; chebi:inchikey "LYYREMJMDQKNES-QNDJGXFYSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13428" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13428" . obo:CHEBI_102069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23+,25+,27-/m1/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-XASBYKNISA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13429" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_10207 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37415 ; owl:deprecated true . obo:CHEBI_102070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22+,28-/m1/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-RZIGYZOXSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13430" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13430" . obo:CHEBI_102071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19+/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-QRVBRYPASA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13431" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19+,25-/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-HHJKRLRDSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13432" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5S,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19-/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-GUDVDZBRSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13433" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_102074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15-,17-,19+/m0/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-YMFLFHJQSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13434" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20+/m0/s1" ; chebi:inchikey "DXVJXLONGZUJOS-YSIASYRMSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13435" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13435" . obo:CHEBI_102076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H18N2O3S" ; chebi:inchi "InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17+,18-/m1/s1" ; chebi:inchikey "SEDZELNMUHOWSZ-FGTMMUONSA-N" ; chebi:mass "342.414" ; chebi:monoisotopicmass "342.10381" ; chebi:smiles "C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13436" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_102077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C27H29FN4O3" ; chebi:inchi "InChI=1S/C27H29FN4O3/c1-2-11-30-26(34)24-20(16-33)23-15-32-22(8-7-19(27(32)35)17-9-12-29-13-10-17)25(24)31(23)14-18-5-3-4-6-21(18)28/h3-10,12-13,20,23-25,33H,2,11,14-16H2,1H3,(H,30,34)/t20-,23-,24+,25+/m1/s1" ; chebi:inchikey "FKAVMSLVYBDOGB-GATIMQMVSA-N" ; chebi:mass "476.544" ; chebi:monoisotopicmass "476.22237" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1N2CC5=CC=CC=C5F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13437" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13437" . obo:CHEBI_102078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25F3N4O4" ; chebi:inchi "InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18+,19-/m1/s1" ; chebi:inchikey "JHFKDWZHMFMOKL-CEXWTWQISA-N" ; chebi:mass "466.454" ; chebi:monoisotopicmass "466.18279" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13438" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18-,25-/m0/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-RPPIVITFSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13439" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10208 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_33704 ; owl:deprecated true . obo:CHEBI_102080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17+,19+/m1/s1" ; chebi:inchikey "VBSGUKREVIUPDG-AYBZRNKSSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13440" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20+,26+/m1/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-GOHWNWGWSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13441" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16-/m0/s1" ; chebi:inchikey "QWCXAENNPFGWBU-LZWOXQAQSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13442" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "VTQGPDBOURHJNB-HTWFIQDWSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13443" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13443" . obo:CHEBI_102084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17-,18+/m1/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-KURKYZTESA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13444" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18+,19-/m0/s1" ; chebi:inchikey "NKPFHNDONDWVBL-OTWHNJEPSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13445" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_102086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24-,28-/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-IDOVBLGQSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13446" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_102087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H32N4O4" ; chebi:inchi "InChI=1S/C29H32N4O4/c1-32(2)28(36)20-10-8-19(9-11-20)21-12-13-24-25-22(16-33(24)29(21)37)23(17-34)26(31-25)27(35)30-15-14-18-6-4-3-5-7-18/h3-13,22-23,25-26,31,34H,14-17H2,1-2H3,(H,30,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "HHBAGBOVOCHPKM-LJCOXQHRSA-N" ; chebi:mass "500.590" ; chebi:monoisotopicmass "500.24236" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13447" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-[4-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-N-(2-phenylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H27N3O3" ; chebi:inchi "InChI=1S/C23H27N3O3/c27-14-17-18-13-26-19(10-9-16(22(26)28)15-7-3-1-4-8-15)21(24-18)20(17)23(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18,20-21,24,27H,2,5-6,11-14H2/t17-,18-,20+,21+/m0/s1" ; chebi:inchikey "JIIRQJXSNNBKIS-FMWKFLBASA-N" ; chebi:mass "393.480" ; chebi:monoisotopicmass "393.20524" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13448" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13448" . obo:CHEBI_102089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21+,22+,23-,24+/m1/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-BAHGYDIPSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@H]2[C@H]1CC[C@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13449" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10209 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46874 ; owl:deprecated true . obo:CHEBI_102090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19-/m1/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-JTDSTZFVSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13450" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20-,23-/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-IRLNJFMJSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13451" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33F3N4O5S" ; chebi:inchi "InChI=1S/C25H33F3N4O5S/c1-17-12-32(13-19-6-5-9-29-11-19)18(2)15-37-22-10-20(30-38(34,35)16-25(26,27)28)7-8-21(22)24(33)31(3)14-23(17)36-4/h5-11,17-18,23,30H,12-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "FDHKBRYHKGCIFQ-IEGUWTFLSA-N" ; chebi:mass "558.616" ; chebi:monoisotopicmass "558.21238" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13452" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16-,20+,22+/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-MFYXDEDASA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13453" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24+,25+,26-/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-QUMGSSFMSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13454" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_102095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-,31-/m0/s1" ; chebi:inchikey "BRDKARYWUSDFKE-SSMOCFHSSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13455" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-ZTUCRWOVSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasDbXref "LINCS:LSM-13456" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H38N4O6" ; chebi:inchi "InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21+/m0/s1" ; chebi:inchikey "AOOMHDUDPOWWMY-CSODHUTKSA-N" ; chebi:mass "478.583" ; chebi:monoisotopicmass "478.27913" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13457" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5S,6S,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide" . obo:CHEBI_102098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23-,25+,27+/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-MUUNGVPUSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13458" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-19(24)12-21)22(32-4)14-25(3)33(28,29)20-10-8-18(23)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "JTCZGLOUSBJUER-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13459" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_1021 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16886 ; owl:deprecated true . obo:CHEBI_10210 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27578 ; owl:deprecated true . obo:CHEBI_102100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H34FN3O4" ; chebi:inchi "InChI=1S/C28H34FN3O4/c29-20-3-1-2-19(12-20)21-6-7-24-25-22(15-31(24)28(21)35)23(16-33)26(27(34)30-13-17-4-5-17)32(25)14-18-8-10-36-11-9-18/h1-3,6-7,12,17-18,22-23,25-26,33H,4-5,8-11,13-16H2,(H,30,34)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "QQHZYPMPDOLVNZ-LJCOXQHRSA-N" ; chebi:mass "495.587" ; chebi:monoisotopicmass "495.25333" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]3N2CC6CCOCC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13460" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26+,28-/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-VULYSIACSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13461" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O7" ; chebi:inchi "InChI=1S/C28H34N2O7/c1-34-23-5-3-2-4-18(23)15-29-26(32)14-20-13-22-21-12-19(30-28(33)17-8-10-35-11-9-17)6-7-24(21)37-27(22)25(16-31)36-20/h2-7,12,17,20,22,25,27,31H,8-11,13-16H2,1H3,(H,29,32)(H,30,33)/t20-,22-,25+,27+/m0/s1" ; chebi:inchikey "FSAONXZLMNAVLZ-ZTQIFVIOSA-N" ; chebi:mass "510.580" ; chebi:monoisotopicmass "510.23660" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13462" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H28N2O5" ; chebi:inchi "InChI=1S/C28H28N2O5/c31-19-26-25(30-28(33)21-7-3-1-4-8-21)16-15-24(35-26)17-27(32)29-18-20-11-13-23(14-12-20)34-22-9-5-2-6-10-22/h1-16,24-26,31H,17-19H2,(H,29,32)(H,30,33)/t24-,25-,26+/m0/s1" ; chebi:inchikey "KKHGDJJULHRULI-KKUQBAQOSA-N" ; chebi:mass "472.533" ; chebi:monoisotopicmass "472.19982" ; chebi:smiles "C1=CC=C(C=C1)C(=O)N[C@H]2C=C[C@H](O[C@@H]2CO)CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13463" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18+,25-/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-ATLLOTDBSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13464" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_102105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23+/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-NXHTTZLHSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13465" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19+,20-/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-ZCNNSNEGSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13466" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-SQNIBIBYSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13467" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27-,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-JVGXHWGJSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13468" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H25N3O3" ; chebi:inchi "InChI=1S/C17H25N3O3/c1-4-8-19-13-9-20-12(6-5-7-14(20)22)16(19)15(11(13)10-21)17(23)18(2)3/h5-7,11,13,15-16,21H,4,8-10H2,1-3H3/t11-,13-,15+,16+/m1/s1" ; chebi:inchikey "OCXQXADZMXZZGR-OYNZBZHQSA-N" ; chebi:mass "319.399" ; chebi:monoisotopicmass "319.18959" ; chebi:smiles "CCCN1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13469" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13469" . obo:CHEBI_10211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C6H10NO3SR" ; chebi:mass "176.215" ; chebi:monoisotopicmass "176.03814" ; chebi:smiles "N[C@@H](CCCC(=O)S[*])C(O)=O" ; oboInOwl:hasDbXref "KEGG:C05535" ; oboInOwl:hasExactSynonym "alpha-Aminoadipoyl-S-acyl enzyme" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Aminoadip.-S" ; oboInOwl:id "CHEBI:10211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Aminoadipoyl-S-acyl enzyme" . _:b1209 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10211 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Aminoadipoyl-S-acyl enzyme" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1210 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Aminoadip.-S" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c33-16-26-28-22(14-20(38-26)15-27(34)30-8-11-32-9-2-1-3-10-32)21-13-19(5-7-23(21)39-28)31-29(35)18-4-6-24-25(12-18)37-17-36-24/h4-7,12-13,20,22,26,28,33H,1-3,8-11,14-17H2,(H,30,34)(H,31,35)/t20-,22+,26+,28-/m0/s1" ; chebi:inchikey "WXIRIDSMDJYJEU-PJDAHJOFSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13470" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "DBBLKINRPPNEJI-SLFFLAALSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13471" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26+,28+/m1/s1" ; chebi:inchikey "SECMWWJMRQEFAV-KHGZIGHDSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13472" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_102113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22-/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-XCGNWRKASA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13473" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24+/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-SFLYRZDNSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13474" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H35FN2O3" ; chebi:inchi "InChI=1S/C30H35FN2O3/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-36-29(21)18-32(3)17-23-9-8-11-25(31)15-23/h4-15,21-22,29,34H,16-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "ZIZYGTWNPVBARE-KERYWQKISA-N" ; chebi:mass "490.610" ; chebi:monoisotopicmass "490.26317" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13475" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13475" . obo:CHEBI_102116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m0/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-GSHUGGBRSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13476" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C12H21NO5" ; chebi:inchi "InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9+,10-,11+/m0/s1" ; chebi:inchikey "FKMAUGDURCCEJG-ZRUFSTJUSA-N" ; chebi:mass "259.299" ; chebi:monoisotopicmass "259.14197" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2)O" ; oboInOwl:hasDbXref "LINCS:LSM-13477" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26+/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-SWYRRKHMSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13478" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m0/s1" ; chebi:inchikey "VRNJYJIECLSBHX-QGZVKYPTSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13479" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_10212 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27959 ; owl:deprecated true . obo:CHEBI_102120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H28FN3O5" ; chebi:inchi "InChI=1S/C28H28FN3O5/c29-19-3-1-2-18(10-19)15-31-26(34)14-21-13-23-22-12-20(32-27(35)11-17-6-8-30-9-7-17)4-5-24(22)37-28(23)25(16-33)36-21/h1-10,12,21,23,25,28,33H,11,13-16H2,(H,31,34)(H,32,35)/t21-,23-,25+,28+/m0/s1" ; chebi:inchikey "JTKPUOMASGTZAW-GUAPPOABSA-N" ; chebi:mass "505.538" ; chebi:monoisotopicmass "505.20130" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13480" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H30N2O4" ; chebi:inchi "InChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21+,23+,25-/m1/s1" ; chebi:inchikey "QQFBCVYCCQBHCE-IQKBUIRBSA-N" ; chebi:mass "422.518" ; chebi:monoisotopicmass "422.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-13481" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19-/m0/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-DOXZYTNZSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13482" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5S,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-QXPQREGVSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13483" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30FN3O5S" ; chebi:inchi "InChI=1S/C23H30FN3O5S/c1-15-12-25-16(2)14-32-21-9-8-18(11-20(21)23(28)27(3)13-22(15)31-4)26-33(29,30)19-7-5-6-17(24)10-19/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22+/m0/s1" ; chebi:inchikey "FAXXRWNSKSYYIM-PONJGIIJSA-N" ; chebi:mass "479.567" ; chebi:monoisotopicmass "479.18902" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13484" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24+,26-,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-KMTUSBKWSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13485" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17+,24-/m0/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-SRGWNRLKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13486" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17-,19-/m1/s1" ; chebi:inchikey "UVJMALWFIRFJAR-ZHALLVOQSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13487" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_102128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18-,19+/m1/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-QRVBRYPASA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13488" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20+/m1/s1" ; chebi:inchikey "XOJAHRJNCMVABE-GUXCAODWSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13489" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_10213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25872 ; rdfs:subClassOf obo:CHEBI_35681 . _:b1211 rdf:type owl:Restriction . obo:CHEBI_10213 rdfs:subClassOf _:b1211 . _:b1211 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35711 . obo:CHEBI_10213 obo:IAO_0000115 "A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group." ; chebi:charge "0" ; chebi:formula "C30H50O" ; chebi:inchi "InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1" ; chebi:inchikey "FSLPMRQHCOLESF-SFMCKYFRSA-N" ; chebi:mass "426.71740" ; chebi:monoisotopicmass "426.38617" ; chebi:smiles "[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C" ; oboInOwl:hasDbXref "CAS:638-95-9" ; oboInOwl:hasDbXref "KEGG:C08615" ; oboInOwl:hasDbXref "KNApSAcK:C00003737" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR0106170001" ; oboInOwl:hasDbXref "MetaCyc:CPD-8250" ; oboInOwl:hasDbXref "PMID:10848960" ; oboInOwl:hasDbXref "PMID:15626726" ; oboInOwl:hasDbXref "PMID:15659316" ; oboInOwl:hasDbXref "PMID:18129592" ; oboInOwl:hasDbXref "PMID:19488928" ; oboInOwl:hasDbXref "PMID:21575133" ; oboInOwl:hasDbXref "Reaxys:1916550" ; oboInOwl:hasExactSynonym "(3beta)-urs-12-en-3-ol" ; oboInOwl:hasExactSynonym "alpha-Amyrin" ; oboInOwl:hasExactSynonym "alpha-amyrin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol" ; oboInOwl:hasRelatedSynonym "5alpha-urs-12-en-3beta-ol" ; oboInOwl:hasRelatedSynonym "alpha-amyrenol" ; oboInOwl:hasRelatedSynonym "alpha-amyrine" ; oboInOwl:hasRelatedSynonym "urs-12-ene-3beta-ol" ; oboInOwl:hasRelatedSynonym "viminalol" ; oboInOwl:id "CHEBI:10213" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-amyrin" . _:b1212 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:638-95-9" ; rdfs:label "ChemIDplus" . _:b1213 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:638-95-9" ; rdfs:label "KEGG COMPOUND" . _:b1214 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR0106170001" ; rdfs:label "LIPID MAPS" . _:b1215 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:10848960" ; rdfs:label "Europe PMC" . _:b1216 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15626726" ; rdfs:label "Europe PMC" . _:b1217 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15659316" ; rdfs:label "Europe PMC" . _:b1218 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18129592" ; rdfs:label "Europe PMC" . _:b1219 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19488928" ; rdfs:label "Europe PMC" . _:b1220 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21575133" ; rdfs:label "Europe PMC" . _:b1221 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1916550" ; rdfs:label "Reaxys" . _:b1222 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3beta)-urs-12-en-3-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1223 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Amyrin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1224 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-amyrin" ; oboInOwl:hasDbXref "UniProt" . _:b1225 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol" ; oboInOwl:hasDbXref "ChEBI" . _:b1226 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5alpha-urs-12-en-3beta-ol" ; oboInOwl:hasDbXref "ChEBI" . _:b1227 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-amyrenol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1228 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-amyrine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1229 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "urs-12-ene-3beta-ol" ; oboInOwl:hasDbXref "ChEBI" . _:b1230 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10213 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "viminalol" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87228 . _:b1231 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b1231 . _:b1231 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b1232 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b1232 . _:b1232 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1233 rdf:type owl:Restriction . obo:CHEBI_102130 rdfs:subClassOf _:b1233 . _:b1233 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102130 obo:IAO_0000115 "A sulfonamide consisting of pyrimidine with a methyl substituent at the 4-position and a 4-aminobenzenesulfonamido group at the 2-position." ; chebi:charge "0" ; chebi:formula "C11H12N4O2S" ; chebi:inchi "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)" ; chebi:inchikey "QPPBRPIAZZHUNT-UHFFFAOYSA-N" ; chebi:mass "264.30400" ; chebi:monoisotopicmass "264.06810" ; chebi:smiles "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1" ; oboInOwl:hasDbXref "Beilstein:249133" ; oboInOwl:hasDbXref "CAS:127-79-7" ; oboInOwl:hasDbXref "DrugBank:DB01581" ; oboInOwl:hasDbXref "Drug_Central:2510" ; oboInOwl:hasDbXref "Gmelin:219949" ; oboInOwl:hasDbXref "KEGG:D02435" ; oboInOwl:hasDbXref "LINCS:LSM-5979" ; oboInOwl:hasDbXref "PMID:11431418" ; oboInOwl:hasDbXref "PMID:13037579" ; oboInOwl:hasDbXref "PMID:23627444" ; oboInOwl:hasDbXref "PMID:2434548" ; oboInOwl:hasDbXref "PMID:24508883" ; oboInOwl:hasDbXref "PMID:6864729" ; oboInOwl:hasDbXref "Patent:US2407966" ; oboInOwl:hasDbXref "Wikipedia:Sulfamerazine" ; oboInOwl:hasExactSynonym "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(p-Aminobenzolsulfonyl)-2-amino-4-methylpyrimidin" ; oboInOwl:hasRelatedSynonym "2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine" ; oboInOwl:hasRelatedSynonym "2-(Sulfanilamido)-4-methylpyrimidine" ; oboInOwl:hasRelatedSynonym "2-(p-Aminobenzolsulfonamido)-4-methylpyrimidine" ; oboInOwl:hasRelatedSynonym "2-Sulfa-4-methylpyrimidine" ; oboInOwl:hasRelatedSynonym "4-Amino-N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide" ; oboInOwl:hasRelatedSynonym "N(1)-(4-Methyl-2-pyrimidinyl)sulfanilamide" ; oboInOwl:hasRelatedSynonym "N-(4-Methyl-2-pyrimidyl)sulfanilamide" ; oboInOwl:hasRelatedSynonym "Sulfamethyldiazine" ; oboInOwl:hasRelatedSynonym "Sulphamerazine" ; oboInOwl:hasRelatedSynonym "sulfamerazina" ; oboInOwl:hasRelatedSynonym "sulfamerazine" ; oboInOwl:hasRelatedSynonym "sulfamerazinum" ; oboInOwl:id "CHEBI:102130" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "sulfamerazine" . _:b1234 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:249133" ; rdfs:label "Beilstein" . _:b1235 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:127-79-7" ; rdfs:label "ChemIDplus" . _:b1236 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:127-79-7" ; rdfs:label "DrugBank" . _:b1237 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:127-79-7" ; rdfs:label "KEGG DRUG" . _:b1238 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:127-79-7" ; rdfs:label "NIST Chemistry WebBook" . _:b1239 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2510" ; rdfs:label "DrugCentral" . _:b1240 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:219949" ; rdfs:label "Gmelin" . _:b1241 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11431418" ; rdfs:label "Europe PMC" . _:b1242 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13037579" ; rdfs:label "Europe PMC" . _:b1243 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23627444" ; rdfs:label "Europe PMC" . _:b1244 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2434548" ; rdfs:label "Europe PMC" . _:b1245 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24508883" ; rdfs:label "Europe PMC" . _:b1246 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6864729" ; rdfs:label "ChEMBL" . _:b1247 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1248 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(p-Aminobenzolsulfonyl)-2-amino-4-methylpyrimidin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1249 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(4-Aminobenzenesulfonamido)-4-methylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1250 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(Sulfanilamido)-4-methylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1251 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(p-Aminobenzolsulfonamido)-4-methylpyrimidine" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1252 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-Sulfa-4-methylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1253 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-Amino-N-(4-methyl-2-pyrimidinyl)-benzenesulfonamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1254 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(1)-(4-Methyl-2-pyrimidinyl)sulfanilamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1255 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(4-Methyl-2-pyrimidyl)sulfanilamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1256 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfamethyldiazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1257 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphamerazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1258 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamerazina" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1259 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamerazine" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b1260 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102130 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamerazinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_102131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_102167 . _:b1261 rdf:type owl:Restriction . obo:CHEBI_102131 rdfs:subClassOf _:b1261 . _:b1261 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_102030 . obo:CHEBI_102131 obo:IAO_0000115 "An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (S)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m0/s1" ; chebi:inchikey "SNFYYXUGUBUECJ-FQEVSTJZSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)[C@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasDbXref "Reaxys:18314092" ; oboInOwl:hasExactSynonym "N-{4-[(1S)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102131" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(S)-talarozole" . _:b1262 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102131 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:18314092" ; rdfs:label "Reaxys" . _:b1263 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102131 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-{4-[(1S)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_102132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O4" ; chebi:inchi "InChI=1S/C32H46N4O4/c1-23-20-36(18-17-25-11-7-5-8-12-25)24(2)22-40-29-16-15-27(34-32(38)33-26-13-9-6-10-14-26)19-28(29)31(37)35(3)21-30(23)39-4/h5,7-8,11-12,15-16,19,23-24,26,30H,6,9-10,13-14,17-18,20-22H2,1-4H3,(H2,33,34,38)/t23-,24-,30+/m0/s1" ; chebi:inchikey "ONZMGLOOFFOJCP-FOUYOVOOSA-N" ; chebi:mass "550.733" ; chebi:monoisotopicmass "550.35191" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3CCCCC3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13491" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C27H34N4O5S" ; chebi:inchi "InChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20+,25+/m0/s1" ; chebi:inchikey "JSYMGQYFJZOBEJ-WZOHSFFVSA-N" ; chebi:mass "526.650" ; chebi:monoisotopicmass "526.22499" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13492" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13492" . obo:CHEBI_102134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18-,19+/m1/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-QRQLOZEOSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13493" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_102135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23-,26+/m1/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-INZVZTLUSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13494" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19-,22-,25+/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-DOPDFTPFSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13495" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27+/m0/s1" ; chebi:inchikey "IKYPBPDRSBKALY-NLJOTIRTSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13496" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22-,27+,29+/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-NFSGWUAQSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13497" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18-,19-,22+/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-YHFKFMBFSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13498" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38092 ; chebi:charge "0" ; chebi:formula "C29H42O11" ; chebi:inchi "InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1" ; chebi:inchikey "MFIXZHBJWSBQJA-OZQKXHGLSA-N" ; chebi:mass "566.638" ; chebi:monoisotopicmass "566.27271" ; chebi:smiles "C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O" ; oboInOwl:hasDbXref "CAS:23605-05-2" ; oboInOwl:hasDbXref "KEGG:C08847" ; oboInOwl:hasDbXref "KNApSAcK:C00003601" ; oboInOwl:hasExactSynonym "alpha-Antiarin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Antiarigenin 3-O-beta-D-antiaroside" ; oboInOwl:id "CHEBI:10214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Antiarin" . _:b1264 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10214 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:23605-05-2" ; rdfs:label "KEGG COMPOUND" . _:b1265 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10214 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Antiarin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1266 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10214 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Antiarigenin 3-O-beta-D-antiaroside" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28-/m1/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-DQCZWYHMSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13499" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_102141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24-/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-ZFJSRUIDSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13500" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14+,15+,17-/m0/s1" ; chebi:inchikey "WAKYUTRBASZCGN-HWMZRRJGSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13501" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22-,24-,26+/m0/s1" ; chebi:inchikey "SGAJFFANPLXWDT-CLKGCZJISA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13502" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m1/s1" ; chebi:inchikey "ONXKQUJAHGZTDG-QLVXXPONSA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13503" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13503" . obo:CHEBI_102145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-ISCCLHIJSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13504" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13504" . obo:CHEBI_102146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26FN3O4" ; chebi:inchi "InChI=1S/C23H26FN3O4/c1-4-19(29)27-20-16(17(12-28)21(27)23(31)25(2)3)11-26-18(20)10-9-15(22(26)30)13-5-7-14(24)8-6-13/h5-10,16-17,20-21,28H,4,11-12H2,1-3H3/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "OMUHXYIQFYOIMG-PZBISTMVSA-N" ; chebi:mass "427.470" ; chebi:monoisotopicmass "427.19073" ; chebi:smiles "CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)N(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13505" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C21H23N3O4" ; chebi:inchi "InChI=1S/C21H23N3O4/c25-14-19-18(24-20(26)11-15-5-4-10-22-13-15)9-8-17(28-19)12-21(27)23-16-6-2-1-3-7-16/h1-10,13,17-19,25H,11-12,14H2,(H,23,27)(H,24,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "XLYDKAUYLYXOHP-CEXWTWQISA-N" ; chebi:mass "381.426" ; chebi:monoisotopicmass "381.16886" ; chebi:smiles "C1=CC=C(C=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13506" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide" . obo:CHEBI_102148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C21H26N4O4" ; chebi:inchi "InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "PJVBFVCJEZYLHS-BEKAIBRUSA-N" ; chebi:mass "398.456" ; chebi:monoisotopicmass "398.19541" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CC5=COC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13507" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13507" . obo:CHEBI_102149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26-/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-NXCFDTQHSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13508" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10215 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28425 ; owl:deprecated true . obo:CHEBI_102150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H30F3N3O7S2" ; chebi:inchi "InChI=1S/C20H30F3N3O7S2/c1-13-9-26(35(30,31)12-20(21,22)23)14(2)11-33-17-8-15(24-34(5,28)29)6-7-16(17)19(27)25(3)10-18(13)32-4/h6-8,13-14,18,24H,9-12H2,1-5H3/t13-,14-,18-/m1/s1" ; chebi:inchikey "VQJJHIQYBNZNQX-HBUWYVDXSA-N" ; chebi:mass "545.596" ; chebi:monoisotopicmass "545.14773" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)CC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13509" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2,2,2-trifluoroethylsulfonyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-AKHDSKFASA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13510" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "QLIZXZIZGKFZES-LOYIFYEOSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13511" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13511" . obo:CHEBI_102153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H30N6O4" ; chebi:inchi "InChI=1S/C24H30N6O4/c1-28(2)23(33)20-17(12-31)19-11-29-18(8-7-16(22(29)32)14-9-25-13-26-10-14)21(20)30(19)24(34)27-15-5-3-4-6-15/h7-10,13,15,17,19-21,31H,3-6,11-12H2,1-2H3,(H,27,34)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "IOQXCYVHGHXSII-PBASOCQRSA-N" ; chebi:mass "466.534" ; chebi:monoisotopicmass "466.23285" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5CCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13512" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13512" . obo:CHEBI_102154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51569 ; chebi:charge "0" ; chebi:formula "C27H30N2O5" ; chebi:inchi "InChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "SPQKGDIXEATJCL-ZQRMPTRQSA-N" ; chebi:mass "462.539" ; chebi:monoisotopicmass "462.21547" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]2N1C(=O)C5CCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13513" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13513" . obo:CHEBI_102155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-6-11-29-27(34)30-22-9-10-23-24(13-22)36-18-20(3)32(16-21-8-7-12-28-14-21)15-19(2)25(35-5)17-31(4)26(23)33/h7-10,12-14,19-20,25H,6,11,15-18H2,1-5H3,(H2,29,30,34)/t19-,20+,25-/m1/s1" ; chebi:inchikey "CHKBOEGZXMMFCS-OHUGHZGNSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CN=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13514" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26-/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-UNVFRBQDSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13515" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13515" . obo:CHEBI_102157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29N3O5" ; chebi:inchi "InChI=1S/C29H29N3O5/c33-17-26-28-24(13-22(36-26)14-27(34)32-11-9-18-4-1-2-5-20(18)16-32)23-12-21(7-8-25(23)37-28)31-29(35)19-6-3-10-30-15-19/h1-8,10,12,15,22,24,26,28,33H,9,11,13-14,16-17H2,(H,31,35)/t22-,24-,26+,28+/m0/s1" ; chebi:inchikey "AAXDVORIQTTZBB-SFNAGVRGSA-N" ; chebi:mass "499.559" ; chebi:monoisotopicmass "499.21072" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13516" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30+/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-QWTJTPASSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13517" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13517" . obo:CHEBI_102159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H20FNO6S" ; chebi:inchi "InChI=1S/C15H20FNO6S/c1-22-15(19)8-10-6-7-12(13(9-18)23-10)17-24(20,21)14-5-3-2-4-11(14)16/h2-5,10,12-13,17-18H,6-9H2,1H3/t10-,12+,13+/m1/s1" ; chebi:inchikey "OBZPPVVKYJWSJI-WXHSDQCUSA-N" ; chebi:mass "361.387" ; chebi:monoisotopicmass "361.09954" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-13518" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_10216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_35714 ; rdfs:subClassOf obo:CHEBI_35990 . _:b1267 rdf:type owl:Restriction . obo:CHEBI_10216 rdfs:subClassOf _:b1267 . _:b1267 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b1268 rdf:type owl:Restriction . obo:CHEBI_10216 rdfs:subClassOf _:b1268 . _:b1268 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36530 . obo:CHEBI_10216 obo:IAO_0000115 "A sesquiterpene that is cedrane which has a double bond between positions 8 and 9." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1" ; chebi:inchikey "IRAQOCYXUMOFCW-OSFYFWSMSA-N" ; chebi:mass "204.35106" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]12CC[C@@H](C)[C@@]11CC=C(C)[C@H](C1)C2(C)C" ; oboInOwl:hasDbXref "Beilstein:2207578" ; oboInOwl:hasDbXref "Beilstein:3196861" ; oboInOwl:hasDbXref "CAS:469-61-4" ; oboInOwl:hasDbXref "KEGG:C09630" ; oboInOwl:hasDbXref "KNApSAcK:C00003111" ; oboInOwl:hasDbXref "MetaCyc:CPD-8776" ; oboInOwl:hasDbXref "PMID:16348930" ; oboInOwl:hasDbXref "PMID:20175559" ; oboInOwl:hasDbXref "PMID:20201526" ; oboInOwl:hasDbXref "Patent:US5302522" ; oboInOwl:hasDbXref "Reaxys:2207578" ; oboInOwl:hasExactSynonym "cedr-8-ene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-alpha-cedrene" ; oboInOwl:hasRelatedSynonym "(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene" ; oboInOwl:hasRelatedSynonym "[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene" ; oboInOwl:hasRelatedSynonym "alpha-cedrene" ; oboInOwl:id "CHEBI:10216" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "cedr-8-ene" . _:b1269 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2207578" ; rdfs:label "Beilstein" . _:b1270 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:3196861" ; rdfs:label "ChemIDplus" . _:b1271 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:469-61-4" ; rdfs:label "ChemIDplus" . _:b1272 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:469-61-4" ; rdfs:label "KEGG COMPOUND" . _:b1273 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:469-61-4" ; rdfs:label "NIST Chemistry WebBook" . _:b1274 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16348930" ; rdfs:label "Europe PMC" . _:b1275 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20175559" ; rdfs:label "Europe PMC" . _:b1276 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20201526" ; rdfs:label "Europe PMC" . _:b1277 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2207578" ; rdfs:label "Reaxys" . _:b1278 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "cedr-8-ene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1279 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-alpha-cedrene" ; oboInOwl:hasDbXref "ChEBI" . _:b1280 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-alpha-cedrene" ; oboInOwl:hasDbXref "UniProt" . _:b1281 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene" ; oboInOwl:hasDbXref "IUPAC" . _:b1282 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1283 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-cedrene" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_102160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H24N4O6" ; chebi:inchi "InChI=1S/C21H24N4O6/c26-11-19-15(25-20(27)13-1-4-17-18(9-13)30-12-29-17)3-2-14(31-19)5-6-24-21(28)16-10-22-7-8-23-16/h1,4,7-10,14-15,19,26H,2-3,5-6,11-12H2,(H,24,28)(H,25,27)/t14-,15-,19+/m1/s1" ; chebi:inchikey "OAEJMSHQDKFBTQ-CLCXKQKWSA-N" ; chebi:mass "428.439" ; chebi:monoisotopicmass "428.16958" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13519" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide" . obo:CHEBI_102161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-OSYMNAPVSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13520" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13520" . obo:CHEBI_102162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20+,21+,22-/m0/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-CBPXPLCBSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-13521" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26+,28+/m1/s1" ; chebi:inchikey "KPGMTKVYFCJESC-KHGZIGHDSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13522" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20+,21-/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-RZXSNQJFSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13523" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23+,24-/m1/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-AWAHEQQVSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13524" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_102166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 . _:b1284 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1284 . _:b1284 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35623 . _:b1285 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1285 . _:b1285 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b1286 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1286 . _:b1286 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b1287 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1287 . _:b1287 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38877 . _:b1288 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1288 . _:b1288 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . _:b1289 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1289 . _:b1289 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1290 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1290 . _:b1290 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33202 . _:b1291 rdf:type owl:Restriction . obo:CHEBI_102166 rdfs:subClassOf _:b1291 . _:b1291 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_61485 . obo:CHEBI_102166 obo:IAO_0000115 "A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups." ; chebi:charge "0" ; chebi:formula "C11H18N2O2S" ; chebi:inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ; chebi:inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-N" ; chebi:mass "242.33800" ; chebi:monoisotopicmass "242.10890" ; chebi:smiles "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O" ; oboInOwl:hasAlternativeId "CHEBI:9560" ; oboInOwl:hasDbXref "Beilstein:209361" ; oboInOwl:hasDbXref "CAS:76-75-5" ; oboInOwl:hasDbXref "DrugBank:DB00599" ; oboInOwl:hasDbXref "Drug_Central:2633" ; oboInOwl:hasDbXref "KEGG:C07521" ; oboInOwl:hasDbXref "PMID:10666006" ; oboInOwl:hasDbXref "PMID:10841799" ; oboInOwl:hasDbXref "PMID:15857133" ; oboInOwl:hasDbXref "PMID:16166909" ; oboInOwl:hasDbXref "PMID:16897573" ; oboInOwl:hasDbXref "PMID:18484074" ; oboInOwl:hasDbXref "PMID:20488867" ; oboInOwl:hasDbXref "PMID:2215478" ; oboInOwl:hasDbXref "PMID:23305916" ; oboInOwl:hasDbXref "PMID:23422796" ; oboInOwl:hasDbXref "PMID:23490495" ; oboInOwl:hasDbXref "PMID:23542731" ; oboInOwl:hasDbXref "PMID:23644730" ; 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owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1316 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Thiopental" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1317 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-thiopental" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1318 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-Thio-5-ethyl-5-sec-pentylbarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1319 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione" ; oboInOwl:hasDbXref "ChEMBL" . _:b1320 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Penthiobarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1321 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Pentothiobarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1322 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Thiopentobarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1323 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Thiopentobarbitone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1324 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Thiopentobarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1325 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102166 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Thiopentone" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; rdfs:subClassOf obo:CHEBI_35727 ; rdfs:subClassOf obo:CHEBI_37947 ; rdfs:subClassOf obo:CHEBI_50995 ; obo:IAO_0000115 "A member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group." ; chebi:charge "0" ; chebi:formula "C21H23N5S" ; chebi:inchi "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)" ; chebi:inchikey "SNFYYXUGUBUECJ-UHFFFAOYSA-N" ; chebi:mass "377.508" ; chebi:monoisotopicmass "377.16742" ; chebi:smiles "C1=C(C=CC(=C1)C(C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4" ; oboInOwl:hasExactSynonym "N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102167" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" . _:b1326 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102167 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_102168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-ZMPRRUGASA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13526" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20+,22+/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-URVUXULASA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13527" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_10217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_36745 ; chebi:charge "0" ; chebi:formula "C15H26O" ; chebi:inchi "InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1" ; chebi:inchikey "SVURIXNDRWRAFU-OGMFBOKVSA-N" ; chebi:mass "222.36630" ; chebi:monoisotopicmass "222.19837" ; chebi:smiles "[H][C@@]12CC[C@@H](C)[C@@]11CC[C@@](C)(O)[C@H](C1)C2(C)C" ; oboInOwl:hasDbXref "Beilstein:2206347" ; oboInOwl:hasDbXref "CAS:77-53-2" ; oboInOwl:hasDbXref "Gmelin:605974" ; oboInOwl:hasDbXref "KEGG:C09631" ; oboInOwl:hasDbXref "KNApSAcK:C00003112" ; oboInOwl:hasExactSynonym "(8R)-cedran-8-ol" ; oboInOwl:hasExactSynonym "Cedrol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-cedrol" ; oboInOwl:hasRelatedSynonym "8betaH-cedran-8-ol" ; oboInOwl:hasRelatedSynonym "[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol" ; oboInOwl:hasRelatedSynonym "alpha-cedrol" ; oboInOwl:id "CHEBI:10217" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "cedrol" . _:b1327 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2206347" ; rdfs:label "Beilstein" . _:b1328 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:77-53-2" ; rdfs:label "ChemIDplus" . _:b1329 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:77-53-2" ; rdfs:label "KEGG COMPOUND" . _:b1330 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:77-53-2" ; rdfs:label "NIST Chemistry WebBook" . _:b1331 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:605974" ; rdfs:label "Gmelin" . _:b1332 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(8R)-cedran-8-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1333 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Cedrol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1334 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-cedrol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1335 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8betaH-cedran-8-ol" ; oboInOwl:hasDbXref "IUPAC" . _:b1336 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1337 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10217 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-cedrol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_102170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22+/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-FDFHNCONSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13528" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_102171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23-/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-BSRJHKFKSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13529" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C27H33N3O6" ; chebi:inchi "InChI=1S/C27H33N3O6/c1-30-22-10-9-20(16-25(31)28-12-13-34-2)36-24(22)17-35-23-11-8-19(15-21(23)27(30)33)29-26(32)14-18-6-4-3-5-7-18/h3-8,11,15,20,22,24H,9-10,12-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t20-,22-,24-/m1/s1" ; chebi:inchikey "CUJGJHGFROPBKV-KIFXHHALSA-N" ; chebi:mass "495.568" ; chebi:monoisotopicmass "495.23694" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CC=C4)CC(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-13530" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-RZIGYZOXSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13531" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13531" . obo:CHEBI_102174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c23-13-19-21(17-7-5-16(6-8-17)15-3-1-2-4-15)20(14-25)24(19)22(26)18-9-11-27-12-10-18/h3,5-8,18-21,25H,1-2,4,9-12,14H2/t19-,20+,21-/m0/s1" ; chebi:inchikey "RYSHWXRXFKBMCF-HBMCJLEFSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)C4CCOCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13532" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile" . obo:CHEBI_102175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c34-17-23-22-16-32-24(9-8-21(29(32)37)19-4-2-1-3-5-19)25(22)33(28(36)20-6-7-20)26(23)27(35)31-15-12-18-10-13-30-14-11-18/h1-5,8-11,13-14,20,22-23,25-26,34H,6-7,12,15-17H2,(H,31,35)/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "OYSHQHUZVWGKJD-LJCOXQHRSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "C1CC1C(=O)N2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CC=CC=C5)[C@@H]([C@H]2C(=O)NCCC6=CC=NC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13533" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H25F2N3O5" ; chebi:inchi "InChI=1S/C27H25F2N3O5/c28-17-3-5-22(29)16(8-17)13-31-25(34)11-19-10-21-20-9-18(32-27(35)15-2-1-7-30-12-15)4-6-23(20)37-26(21)24(14-33)36-19/h1-9,12,19,21,24,26,33H,10-11,13-14H2,(H,31,34)(H,32,35)/t19-,21+,24+,26-/m1/s1" ; chebi:inchikey "MRHMXTIRULDPKA-ZHRNDHIYSA-N" ; chebi:mass "509.502" ; chebi:monoisotopicmass "509.17623" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13534" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H26N2O5" ; chebi:inchi "InChI=1S/C24H26N2O5/c1-31-24(30)22-18(13-27)17-12-25-19(21(17)26(22)20(28)11-14-7-8-14)10-9-16(23(25)29)15-5-3-2-4-6-15/h2-6,9-10,14,17-18,21-22,27H,7-8,11-13H2,1H3/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "GLQBIINCSVPTPJ-HXHBTQRASA-N" ; chebi:mass "422.475" ; chebi:monoisotopicmass "422.18417" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]2N1C(=O)CC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13535" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(2-cyclopropyl-1-oxoethyl)-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21+,23-,26-/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-OXPRRSNCSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13536" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21-,22-/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-FKBYEOEOSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13537" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_10218 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28676 ; owl:deprecated true . obo:CHEBI_102180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-CTWZREHQSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13538" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13538" . obo:CHEBI_102181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H46N4O4" ; chebi:inchi "InChI=1S/C30H46N4O4/c1-22-18-34(23(2)21-35)30(36)27-17-26(32(4)5)10-11-28(27)38-24(3)9-7-8-16-37-29(22)20-33(6)19-25-12-14-31-15-13-25/h10-15,17,22-24,29,35H,7-9,16,18-21H2,1-6H3/t22-,23+,24+,29+/m0/s1" ; chebi:inchikey "ZQLCRBSTGDSWQO-CMSZEEODSA-N" ; chebi:mass "526.712" ; chebi:monoisotopicmass "526.35191" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13539" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_102182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28-/m0/s1" ; chebi:inchikey "AAENOGRDWGDRJO-CZBREUMFSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13540" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13540" . obo:CHEBI_102183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5" ; chebi:inchi "InChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17+,20+,21-/m1/s1" ; chebi:inchikey "JLPSQBARJGYMKN-SQBLYHGDSA-N" ; chebi:mass "449.517" ; chebi:monoisotopicmass "449.23260" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)C4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13541" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-11-6-5-10-20(21)25)22(33-4)14-27(3)34(31,32)19-9-7-8-18(24)12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17+,22-/m1/s1" ; chebi:inchikey "QUGGTUJVTWBVOW-HYFFOGBASA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13542" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(3-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O6" ; chebi:inchi "InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "QQFSWHWRRZLIPD-FWSIMYTDSA-N" ; chebi:mass "480.554" ; chebi:monoisotopicmass "480.22604" ; chebi:smiles "COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13543" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C30H33N5O5" ; chebi:inchi "InChI=1S/C30H33N5O5/c1-18(2)19-5-4-6-20(13-19)33-28(36)15-22-8-9-25-27(40-22)17-39-26-10-7-21(14-23(26)30(38)35(25)3)34-29(37)24-16-31-11-12-32-24/h4-7,10-14,16,18,22,25,27H,8-9,15,17H2,1-3H3,(H,33,36)(H,34,37)/t22-,25+,27-/m1/s1" ; chebi:inchikey "RRAKYIDNKDNDJG-BUALBWRZSA-N" ; chebi:mass "543.615" ; chebi:monoisotopicmass "543.24817" ; chebi:smiles "CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=NC=CN=C5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-13544" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C36H41N5O3S" ; chebi:inchi "InChI=1S/C36H41N5O3S/c1-36(2,3)45(44)41-23-29-20-31(35(43)38-30-14-17-40(24-30)22-25-9-5-4-6-10-25)39-34(33(29)32(41)15-18-42)27-12-7-11-26(19-27)28-13-8-16-37-21-28/h4-13,16,19-21,30,32,42H,14-15,17-18,22-24H2,1-3H3,(H,38,43)/t30-,32+,45+/m1/s1" ; chebi:inchikey "OXCAKDYULKMTMJ-AECJBDNTSA-N" ; chebi:mass "623.810" ; chebi:monoisotopicmass "623.29301" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13545" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-NMVJMZGASA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13546" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_102189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C25H24N4O6" ; chebi:inchi "InChI=1S/C25H24N4O6/c1-34-20-6-4-3-5-14(20)15-7-8-19-21-16(12-28(19)23(15)31)17(13-30)22(25(33)35-2)29(21)24(32)18-11-26-9-10-27-18/h3-11,16-17,21-22,30H,12-13H2,1-2H3/t16-,17-,21+,22-/m1/s1" ; chebi:inchikey "PJQVGEWXXVLMPO-FTIBCMOBSA-N" ; chebi:mass "476.482" ; chebi:monoisotopicmass "476.16958" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4C(=O)C5=NC=CN=C5)C(=O)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13547" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_10219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61655 ; chebi:charge "0" ; chebi:formula "C45H73NO14" ; chebi:inchi "InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1" ; chebi:inchikey "TYNQWWGVEGFKRU-AJDPQWBVSA-N" ; chebi:mass "852.061" ; chebi:monoisotopicmass "851.50311" ; chebi:smiles "C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O" ; oboInOwl:hasDbXref "CAS:20562-03-2" ; oboInOwl:hasDbXref "KEGG:C10796" ; oboInOwl:hasDbXref "KNApSAcK:C00002242" ; oboInOwl:hasExactSynonym "alpha-Chaconine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Chaconine" . _:b1338 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10219 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:20562-03-2" ; rdfs:label "KEGG COMPOUND" . _:b1339 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10219 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Chaconine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H37N3O5" ; chebi:inchi "InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24+,26+,28-/m0/s1" ; chebi:inchikey "CGDALBMFLMENHX-PHOYKXCNSA-N" ; chebi:mass "507.622" ; chebi:monoisotopicmass "507.27332" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13548" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19+,25+/m0/s1" ; chebi:inchikey "IESMZGXEKVWDTA-OSWQYVSFSA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasDbXref "LINCS:LSM-13549" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26-/m1/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-LJGDZFJRSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13550" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C23H28N2O4" ; chebi:inchi "InChI=1S/C23H28N2O4/c26-19-13-24-21-11-10-20(29-22(21)15-28-14-19)12-23(27)25-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-22,24,26H,10-15H2,(H,25,27)/t19-,20+,21+,22-/m1/s1" ; chebi:inchikey "UTTUQCGEIXLGEI-CLAROIROSA-N" ; chebi:mass "396.480" ; chebi:monoisotopicmass "396.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13551" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31FN4O4" ; chebi:inchi "InChI=1S/C24H31FN4O4/c1-15-12-26-16(2)14-33-21-11-19(28-24(31)27-18-7-5-6-17(25)10-18)8-9-20(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22+/m0/s1" ; chebi:inchikey "BTAIGOZCFZRKBT-WJONJSRFSA-N" ; chebi:mass "458.527" ; chebi:monoisotopicmass "458.23293" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13552" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-VPYPWEPUSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13553" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13553" . obo:CHEBI_102196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m0/s1" ; chebi:inchikey "SVQJPVUULHSFBY-CWBXHPNXSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13554" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H22N2O6" ; chebi:inchi "InChI=1S/C21H22N2O6/c24-11-18-21-16(9-14(28-18)10-20(26)27)15-8-13(1-2-17(15)29-21)23-19(25)7-12-3-5-22-6-4-12/h1-6,8,14,16,18,21,24H,7,9-11H2,(H,23,25)(H,26,27)/t14-,16-,18-,21+/m1/s1" ; chebi:inchikey "ZIYVXDMGZAADAL-OQBJRAFVSA-N" ; chebi:mass "398.410" ; chebi:monoisotopicmass "398.14779" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13555" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25F2N3O5" ; chebi:inchi "InChI=1S/C24H25F2N3O5/c1-27-22(30)11-17-4-5-19-21(34-17)12-33-20-6-3-16(10-18(20)24(32)29(19)2)28-23(31)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)(H,28,31)/t17-,19-,21-/m0/s1" ; chebi:inchikey "RQAOUBOGQGVTCU-CUWPLCDZSA-N" ; chebi:mass "473.470" ; chebi:monoisotopicmass "473.17623" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13556" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide" . obo:CHEBI_102199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H38N4O5S" ; chebi:inchi "InChI=1S/C30H38N4O5S/c1-21-9-12-26(13-10-21)40(36,37)32-24-11-14-27-28(16-24)39-20-23(3)34(18-25-8-6-7-15-31-25)17-22(2)29(38-5)19-33(4)30(27)35/h6-16,22-23,29,32H,17-20H2,1-5H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VIFLTFBPRKOVBZ-VDWGHMIBSA-N" ; chebi:mass "566.714" ; chebi:monoisotopicmass "566.25629" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13557" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_1022 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15745 ; owl:deprecated true . obo:CHEBI_10220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h6-7H,5,8-11H2,1-4H3/t15-/m1/s1" ; chebi:inchikey "SIBCECUUMHIAAM-OAHLLOKOSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC1=CC[C@@]2(CC1)C(C)=CCCC2(C)C" ; oboInOwl:hasDbXref "CAS:19912-83-5" ; oboInOwl:hasDbXref "KEGG:C09635" ; oboInOwl:hasDbXref "KNApSAcK:C00003115" ; oboInOwl:hasExactSynonym "alpha-Chamigrene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Chamigrene" . _:b1340 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10220 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:19912-83-5" ; rdfs:label "KEGG COMPOUND" . _:b1341 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10220 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Chamigrene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-VARILPKDSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13558" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H29F2N3O5" ; chebi:inchi "InChI=1S/C25H29F2N3O5/c1-30(2)12-24(33)29-16-4-6-21-18(8-16)19-9-17(34-22(13-31)25(19)35-21)10-23(32)28-11-14-7-15(26)3-5-20(14)27/h3-8,17,19,22,25,31H,9-13H2,1-2H3,(H,28,32)(H,29,33)/t17-,19-,22+,25+/m0/s1" ; chebi:inchikey "PTZKUMYBXIPSAJ-CMJNZLRFSA-N" ; chebi:mass "489.513" ; chebi:monoisotopicmass "489.20753" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13559" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H30N4O7" ; chebi:inchi "InChI=1S/C28H30N4O7/c1-32-21-9-8-19(14-26(33)29-15-17-5-3-4-6-22(17)36-2)38-25(21)16-37-23-10-7-18(13-20(23)28(32)35)31-27(34)24-11-12-30-39-24/h3-7,10-13,19,21,25H,8-9,14-16H2,1-2H3,(H,29,33)(H,31,34)/t19-,21+,25-/m1/s1" ; chebi:inchikey "NHAXNTZRJLBPPG-FZOAFFARSA-N" ; chebi:mass "534.561" ; chebi:monoisotopicmass "534.21145" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=NO4)CC(=O)NCC5=CC=CC=C5OC" ; oboInOwl:hasDbXref "LINCS:LSM-13560" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-isoxazolecarboxamide" . obo:CHEBI_102203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O7S" ; chebi:inchi "InChI=1S/C22H30N4O7S/c1-14-11-26(34(5,29)30)15(2)13-32-18-7-6-16(24-21(27)19-8-9-23-33-19)10-17(18)22(28)25(3)12-20(14)31-4/h6-10,14-15,20H,11-13H2,1-5H3,(H,24,27)/t14-,15+,20+/m0/s1" ; chebi:inchikey "CRZDWKBDRGRNEI-BXTJHSDWSA-N" ; chebi:mass "494.563" ; chebi:monoisotopicmass "494.18352" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13561" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_102204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-FCJWUBJXSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13562" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H33N3O5" ; chebi:inchi "InChI=1S/C19H33N3O5/c23-13-17-16(21-18(24)12-22-8-10-26-11-9-22)5-4-15(27-17)6-7-20-19(25)14-2-1-3-14/h14-17,23H,1-13H2,(H,20,25)(H,21,24)/t15-,16-,17+/m1/s1" ; chebi:inchikey "CARWJPWJJJMDHW-ZACQAIPSSA-N" ; chebi:mass "383.483" ; chebi:monoisotopicmass "383.24202" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13563" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20+,26-,28-/m0/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-QARCYOLKSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13564" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H23F4N3O3" ; chebi:inchi "InChI=1S/C22H23F4N3O3/c23-14-6-4-13(5-7-14)10-27-21(32)20-16(12-30)15-11-29-17(2-1-3-18(29)31)19(15)28(20)9-8-22(24,25)26/h1-7,15-16,19-20,30H,8-12H2,(H,27,32)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "CPSLJULDKOVODL-FEHORTKBSA-N" ; chebi:mass "453.431" ; chebi:monoisotopicmass "453.16755" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)CCC(F)(F)F)C(=O)NCC4=CC=C(C=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13565" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H41N3O5S" ; chebi:inchi "InChI=1S/C25H41N3O5S/c1-18-14-28(15-20-9-7-6-8-10-20)19(2)17-33-23-13-21(26-34(5,30)31)11-12-22(23)25(29)27(3)16-24(18)32-4/h11-13,18-20,24,26H,6-10,14-17H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "DDFXZAACYDZOLE-KHCICDEESA-N" ; chebi:mass "495.677" ; chebi:monoisotopicmass "495.27669" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13566" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-20(2)18-39-31(37)32(5)16-27-21(3)15-34(22(4)17-35)30(36)29-28(24-12-8-7-11-23(24)19-38-27)25-13-9-10-14-26(25)33(29)6/h7-14,20-22,27,35H,15-19H2,1-6H3/t21-,22+,27+/m0/s1" ; chebi:inchikey "QLIZXZIZGKFZES-OREGWCPLSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13567" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13567" . obo:CHEBI_10221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_35990 ; obo:IAO_0000115 "A sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer)." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14?,15-/m0/s1" ; chebi:inchikey "VLXDPFLIRFYIME-XIQJJJERSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@@]12[C@@H](CC[C@]3(C)C1C(C)=CC[C@@]23[H])C(C)C" ; oboInOwl:hasDbXref "CAS:3856-25-5" ; oboInOwl:hasDbXref "KEGG:C09639" ; oboInOwl:hasDbXref "KNApSAcK:C00003118" ; oboInOwl:hasDbXref "MetaCyc:CPD-8234" ; oboInOwl:hasDbXref "Reaxys:8910321" ; oboInOwl:hasDbXref "Wikipedia:Copaene" ; oboInOwl:hasExactSynonym "(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]dec-3-ene" ; oboInOwl:hasExactSynonym "alpha-Copaene" ; oboInOwl:hasExactSynonym "alpha-copaene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0(2,7)]dec-3-ene" ; oboInOwl:hasRelatedSynonym "8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene" ; oboInOwl:hasRelatedSynonym "Copaene" ; oboInOwl:id "CHEBI:10221" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-copaene" . _:b1342 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:3856-25-5" ; rdfs:label "ChemIDplus" . _:b1343 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:3856-25-5" ; rdfs:label "KEGG COMPOUND" . _:b1344 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:3856-25-5" ; rdfs:label "NIST Chemistry WebBook" . _:b1345 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:8910321" ; rdfs:label "Reaxys" . _:b1346 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]dec-3-ene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1347 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Copaene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1348 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-copaene" ; oboInOwl:hasDbXref "UniProt" . _:b1349 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0(2,7)]dec-3-ene" ; oboInOwl:hasDbXref "IUPAC" . _:b1350 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1351 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10221 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Copaene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-2-10-25-22(29)13-17-12-19-18-11-16(27-24(30)26-15-6-4-3-5-7-15)8-9-20(18)32-23(19)21(14-28)31-17/h8-9,11,15,17,19,21,23,28H,2-7,10,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t17-,19+,21-,23-/m0/s1" ; chebi:inchikey "ALHQUDNRSCILRO-FTJYFCJYSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13568" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102210" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-ZMPRRUGASA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13569" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102211" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29-,30+/m1/s1" ; chebi:inchikey "DVGPQCDULGSEFB-ALIATHRISA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13570" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13570" . obo:CHEBI_102213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H28FN3O7" ; chebi:inchi "InChI=1S/C29H28FN3O7/c30-21-3-1-2-4-22(21)33-29(36)32-17-6-8-23-19(10-17)20-11-18(39-26(14-34)28(20)40-23)12-27(35)31-13-16-5-7-24-25(9-16)38-15-37-24/h1-10,18,20,26,28,34H,11-15H2,(H,31,35)(H2,32,33,36)/t18-,20-,26-,28+/m1/s1" ; chebi:inchikey "QUTKLMAKSFRFCA-NAPMWBMBSA-N" ; chebi:mass "549.548" ; chebi:monoisotopicmass "549.19113" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13571" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_25248 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C25H24N4O6" ; chebi:inchi "InChI=1S/C25H24N4O6/c1-34-20-6-4-3-5-14(20)15-7-8-19-21-16(12-28(19)23(15)31)17(13-30)22(25(33)35-2)29(21)24(32)18-11-26-9-10-27-18/h3-11,16-17,21-22,30H,12-13H2,1-2H3/t16-,17-,21+,22-/m0/s1" ; chebi:inchikey "PJQVGEWXXVLMPO-QPAOKJHLSA-N" ; chebi:mass "476.482" ; chebi:monoisotopicmass "476.16958" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4C(=O)C5=NC=CN=C5)C(=O)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13572" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-[oxo(2-pyrazinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20-,21+/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-SESVDKBCSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13573" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 ; rdfs:subClassOf obo:CHEBI_73474 . _:b1352 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b1352 . _:b1352 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_38877 . _:b1353 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b1353 . _:b1353 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1354 rdf:type owl:Restriction . obo:CHEBI_102216 rdfs:subClassOf _:b1354 . _:b1354 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_60792 . obo:CHEBI_102216 obo:IAO_0000115 "A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups." ; chebi:charge "0" ; chebi:formula "C14H18N2O3" ; chebi:inchi "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)" ; chebi:inchikey "NZXKDOXHBHYTKP-UHFFFAOYSA-N" ; chebi:mass "262.30430" ; chebi:monoisotopicmass "262.13174" ; chebi:smiles "CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O" ; oboInOwl:hasAlternativeId "CHEBI:6833" ; oboInOwl:hasDbXref "Beilstein:89964" ; oboInOwl:hasDbXref "CAS:151-83-7" ; oboInOwl:hasDbXref "DrugBank:DB00474" ; oboInOwl:hasDbXref "Drug_Central:1748" ; oboInOwl:hasDbXref "KEGG:C07844" ; oboInOwl:hasDbXref "KEGG:D04985" ; oboInOwl:hasDbXref "PMID:13919899" ; oboInOwl:hasDbXref "PMID:20045848" ; oboInOwl:hasDbXref "PMID:22330701" ; oboInOwl:hasDbXref "PMID:22914630" ; oboInOwl:hasDbXref "PMID:22914634" ; oboInOwl:hasDbXref "PMID:23164727" ; oboInOwl:hasDbXref "PMID:23399487" ; oboInOwl:hasDbXref "PMID:23422530" ; oboInOwl:hasDbXref "PMID:23813116" ; oboInOwl:hasDbXref "PMID:3654008" ; oboInOwl:hasDbXref "PMID:6864729" ; oboInOwl:hasDbXref "Reaxys:89964" ; oboInOwl:hasDbXref "Wikipedia:Methohexital" ; oboInOwl:hasExactSynonym "1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione" ; oboInOwl:hasExactSynonym "Methohexital" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid" ; oboInOwl:hasRelatedSynonym "5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione" ; oboInOwl:hasRelatedSynonym "5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid" ; oboInOwl:hasRelatedSynonym "5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione" ; oboInOwl:hasRelatedSynonym "Methohexital" ; oboInOwl:hasRelatedSynonym "Methohexitalum" ; oboInOwl:hasRelatedSynonym "Methohexitone" ; oboInOwl:hasRelatedSynonym "Metohexital" ; oboInOwl:hasRelatedSynonym "alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid" ; oboInOwl:id "CHEBI:102216" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "methohexital" . _:b1355 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:89964" ; rdfs:label "Beilstein" . _:b1356 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151-83-7" ; rdfs:label "ChemIDplus" . _:b1357 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151-83-7" ; rdfs:label "KEGG COMPOUND" . _:b1358 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:151-83-7" ; rdfs:label "NIST Chemistry WebBook" . _:b1359 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1748" ; rdfs:label "DrugCentral" . _:b1360 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13919899" ; rdfs:label "Europe PMC" . _:b1361 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20045848" ; rdfs:label "Europe PMC" . _:b1362 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22330701" ; rdfs:label "Europe PMC" . _:b1363 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22914630" ; rdfs:label "Europe PMC" . _:b1364 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22914634" ; rdfs:label "Europe PMC" . _:b1365 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23164727" ; rdfs:label "Europe PMC" . _:b1366 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23399487" ; rdfs:label "Europe PMC" . _:b1367 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23422530" ; rdfs:label "Europe PMC" . _:b1368 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23813116" ; rdfs:label "Europe PMC" . _:b1369 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:3654008" ; rdfs:label "Europe PMC" . _:b1370 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6864729" ; rdfs:label "ChEMBL" . _:b1371 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:89964" ; rdfs:label "Reaxys" . _:b1372 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1373 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Methohexital" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1374 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1375 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione" ; oboInOwl:hasDbXref "ChEMBL" . _:b1376 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1377 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1378 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Methohexital" ; oboInOwl:hasDbXref "ChEBI" ; oboInOwl:hasSynonymType chebi2:INN . _:b1379 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Methohexitalum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1380 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Methohexitone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1381 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Metohexital" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1382 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102216 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_102217 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_8069 ; owl:deprecated true . obo:CHEBI_102218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_25248 . _:b1383 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b1383 . _:b1383 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_102248 . _:b1384 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b1384 . _:b1384 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_63726 . _:b1385 rdf:type owl:Restriction . obo:CHEBI_102218 rdfs:subClassOf _:b1385 . _:b1385 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_44482 . obo:CHEBI_102218 obo:IAO_0000115 "A glycine derivative that is the diester obtained by formal condensation of the carboxy groups of N-oxalylglycine with two molecules of methanol." ; chebi:charge "0" ; chebi:formula "C6H9NO5" ; chebi:inchi "InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)" ; chebi:inchikey "BNJOZDZCRHCODO-UHFFFAOYSA-N" ; chebi:mass "175.140" ; chebi:monoisotopicmass "175.04807" ; chebi:smiles "C(CNC(=O)C(OC)=O)(=O)OC" ; oboInOwl:hasDbXref "PMID:26255815" ; oboInOwl:hasDbXref "PMID:26485211" ; oboInOwl:hasDbXref "PMID:26519029" ; oboInOwl:hasDbXref "PMID:26679609" ; oboInOwl:hasDbXref "PMID:26688861" ; oboInOwl:hasDbXref "PMID:26731748" ; oboInOwl:hasDbXref "PMID:26743761" ; oboInOwl:hasDbXref "PMID:26901836" ; oboInOwl:hasDbXref "PMID:26935134" ; oboInOwl:hasDbXref "PMID:26936783" ; oboInOwl:hasDbXref "PMID:26970014" ; oboInOwl:hasDbXref "PMID:26987747" ; oboInOwl:hasDbXref "PMID:27005959" ; oboInOwl:hasDbXref "PMID:27013493" ; oboInOwl:hasDbXref "PMID:27019216" ; oboInOwl:hasDbXref "Reaxys:2096268" ; oboInOwl:hasExactSynonym "methyl N-[methoxy(oxo)acetyl]glycinate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "DMOG" ; oboInOwl:hasRelatedSynonym "N-(2-methoxy-2-oxoacetyl)glycine methyl ester" ; oboInOwl:hasRelatedSynonym "N-oxalylglycine dimethyl ester" ; oboInOwl:hasRelatedSynonym "methyl N-(2-methoxy-2-oxoacetyl)glycinate" ; oboInOwl:id "CHEBI:102218" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "dimethyloxalylglycine" . _:b1386 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26255815" ; rdfs:label "Europe PMC" . _:b1387 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26485211" ; rdfs:label "Europe PMC" . _:b1388 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26519029" ; rdfs:label "Europe PMC" . _:b1389 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26679609" ; rdfs:label "Europe PMC" . _:b1390 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26688861" ; rdfs:label "Europe PMC" . _:b1391 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26731748" ; rdfs:label "Europe PMC" . _:b1392 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26743761" ; rdfs:label "Europe PMC" . _:b1393 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26901836" ; rdfs:label "Europe PMC" . _:b1394 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26935134" ; rdfs:label "Europe PMC" . _:b1395 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26936783" ; rdfs:label "Europe PMC" . _:b1396 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26970014" ; rdfs:label "Europe PMC" . _:b1397 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26987747" ; rdfs:label "Europe PMC" . _:b1398 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27005959" ; rdfs:label "Europe PMC" . _:b1399 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27013493" ; rdfs:label "Europe PMC" . _:b1400 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:27019216" ; rdfs:label "Europe PMC" . _:b1401 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2096268" ; rdfs:label "Reaxys" . _:b1402 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "methyl N-[methoxy(oxo)acetyl]glycinate" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1403 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "DMOG" ; oboInOwl:hasDbXref "ChEBI" . _:b1404 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(2-methoxy-2-oxoacetyl)glycine methyl ester" ; oboInOwl:hasDbXref "ChEBI" . _:b1405 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-oxalylglycine dimethyl ester" ; oboInOwl:hasDbXref "ChEBI" . _:b1406 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102218 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "methyl N-(2-methoxy-2-oxoacetyl)glycinate" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20+,22-/m1/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-KAGYGMCKSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13575" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_10222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C15H14O6" ; chebi:inchi "InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3" ; chebi:inchikey "SHQNKPHNRFEQQD-UHFFFAOYSA-N" ; chebi:mass "290.269" ; chebi:monoisotopicmass "290.07904" ; chebi:smiles "COc1c(O)cc2c3ccc(O)c(OC)c3oc2c1OC" ; oboInOwl:hasDbXref "CAS:93973-22-9" ; oboInOwl:hasDbXref "KEGG:C08739" ; oboInOwl:hasDbXref "KNApSAcK:C00002393" ; oboInOwl:hasExactSynonym "alpha-Cotonefuran" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-cotonefuran" . _:b1407 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10222 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:93973-22-9" ; rdfs:label "KEGG COMPOUND" . _:b1408 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10222 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Cotonefuran" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O4" ; chebi:inchi "InChI=1S/C24H37N3O4/c1-16-13-25-17(2)15-31-21-11-10-19(26-23(28)18-8-6-5-7-9-18)12-20(21)24(29)27(3)14-22(16)30-4/h10-12,16-18,22,25H,5-9,13-15H2,1-4H3,(H,26,28)/t16-,17+,22+/m0/s1" ; chebi:inchikey "WWIWLTDSUPVNED-GSHUGGBRSA-N" ; chebi:mass "431.569" ; chebi:monoisotopicmass "431.27841" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13576" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_102221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C18H33N3O4" ; chebi:inchi "InChI=1S/C18H33N3O4/c22-14-11-20-16-5-4-15(25-17(16)13-24-12-14)10-18(23)19-6-9-21-7-2-1-3-8-21/h14-17,20,22H,1-13H2,(H,19,23)/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "WSFSIZCPNKDEIH-LTIDMASMSA-N" ; chebi:mass "355.473" ; chebi:monoisotopicmass "355.24711" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13577" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21-,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-QKINTPNGSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13578" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13578" . obo:CHEBI_102223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "CSQKNNUUWCECGY-RIPRBREISA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13579" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23-,27+,29+/m1/s1" ; chebi:inchikey "WERZBRNJFLNQTM-YNXFXDROSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13580" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20-,27-/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-OSOCVKALSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13581" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13581" . obo:CHEBI_102226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H34FN3O4" ; chebi:inchi "InChI=1S/C28H34FN3O4/c29-20-3-1-2-19(12-20)21-6-7-24-25-22(15-31(24)28(21)35)23(16-33)26(27(34)30-13-17-4-5-17)32(25)14-18-8-10-36-11-9-18/h1-3,6-7,12,17-18,22-23,25-26,33H,4-5,8-11,13-16H2,(H,30,34)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "QQHZYPMPDOLVNZ-VHCQPULKSA-N" ; chebi:mass "495.587" ; chebi:monoisotopicmass "495.25333" ; chebi:smiles "C1CC1CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@H]3N2CC6CCOCC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13582" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14+,15+/m1/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-ILXRZTDVSA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13583" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C25H31N5O5S" ; chebi:inchi "InChI=1S/C25H31N5O5S/c1-28-7-9-30(10-8-28)23(31)12-17-4-5-20-22(35-17)13-34-21-6-3-16(11-18(21)25(33)29(20)2)27-24(32)19-14-36-15-26-19/h3,6,11,14-15,17,20,22H,4-5,7-10,12-13H2,1-2H3,(H,27,32)/t17-,20+,22-/m1/s1" ; chebi:inchikey "MBWHXZFHLNKYMT-PIPMEXSNSA-N" ; chebi:mass "513.611" ; chebi:monoisotopicmass "513.20459" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-13584" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide" . obo:CHEBI_102229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28ClN3O5" ; chebi:inchi "InChI=1S/C25H28ClN3O5/c26-19-5-2-1-4-16(19)12-27-24(32)23-18(14-30)17-13-28-20(6-3-7-21(28)31)22(17)29(23)25(33)15-8-10-34-11-9-15/h1-7,15,17-18,22-23,30H,8-14H2,(H,27,32)/t17-,18-,22+,23-/m0/s1" ; chebi:inchikey "FUBLKTUGGJCEAF-JRSMBCBASA-N" ; chebi:mass "485.961" ; chebi:monoisotopicmass "485.17175" ; chebi:smiles "C1COCCC1C(=O)N2[C@@H]3[C@@H](CN4C3=CC=CC4=O)[C@@H]([C@H]2C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13585" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23045 . _:b1409 rdf:type owl:Restriction . obo:CHEBI_10223 rdfs:subClassOf _:b1409 . _:b1409 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_35147 . obo:CHEBI_10223 obo:IAO_0000115 "A carotenol, the structure of which is (6'R)-beta,epsilon-carotene hydroxy-substituted at C-3' with R-stereochemistry." ; chebi:charge "0" ; chebi:formula "C40H56O" ; chebi:inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1" ; chebi:inchikey "ORAKUVXRZWMARG-XBBNTEQGSA-N" ; chebi:mass "552.87200" ; chebi:monoisotopicmass "552.43312" ; chebi:smiles "CC(\\C=C\\C=C(C)\\C=C\\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" ; oboInOwl:hasDbXref "Beilstein:2342912" ; oboInOwl:hasDbXref "CAS:24480-38-4" ; oboInOwl:hasDbXref "KEGG:C15981" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR01070268" ; oboInOwl:hasDbXref "PMID:16923233" ; oboInOwl:hasDbXref "PMID:19813226" ; oboInOwl:hasDbXref "PMID:2262812" ; oboInOwl:hasExactSynonym "(3'R,6'R)-beta,epsilon-caroten-3'-ol" ; oboInOwl:hasExactSynonym "alpha-Cryptoxanthin" ; oboInOwl:hasExactSynonym "alpha-cryptoxanthin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10223" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-cryptoxanthin" . _:b1410 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2342912" ; rdfs:label "Beilstein" . _:b1411 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:24480-38-4" ; rdfs:label "KEGG COMPOUND" . _:b1412 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR01070268" ; rdfs:label "LIPID MAPS" . _:b1413 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16923233" ; rdfs:label "Europe PMC" . _:b1414 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19813226" ; rdfs:label "Europe PMC" . _:b1415 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2262812" ; rdfs:label "Europe PMC" . _:b1416 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3'R,6'R)-beta,epsilon-caroten-3'-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1417 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Cryptoxanthin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1418 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10223 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-cryptoxanthin" ; oboInOwl:hasDbXref "UniProt" . obo:CHEBI_102230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_26979 ; chebi:charge "0" ; chebi:formula "C24H20FN3O5" ; chebi:inchi "InChI=1S/C24H20FN3O5/c25-14-5-3-4-13(10-14)15-7-8-19-20-16(11-27(19)22(15)30)17(12-29)21(24(32)33)28(20)23(31)18-6-1-2-9-26-18/h1-10,16-17,20-21,29H,11-12H2,(H,32,33)/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "PPTZIPDIUOVGPF-SGLNWRHMSA-N" ; chebi:mass "449.432" ; chebi:monoisotopicmass "449.13870" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)C5=CC=CC=N5)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13586" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[oxo(2-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_102231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29+/m1/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-AFKLWXAFSA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13587" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13587" . obo:CHEBI_102232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-MMKMLUHNSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13588" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35F3N4O6S" ; chebi:inchi "InChI=1S/C23H35F3N4O6S/c1-14(2)27-22(32)30-10-15(3)20(35-6)11-29(5)21(31)18-9-17(7-8-19(18)36-12-16(30)4)28-37(33,34)13-23(24,25)26/h7-9,14-16,20,28H,10-13H2,1-6H3,(H,27,32)/t15-,16+,20-/m0/s1" ; chebi:inchikey "XOJAHRJNCMVABE-YRNRMSPPSA-N" ; chebi:mass "552.609" ; chebi:monoisotopicmass "552.22294" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13589" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H27N3O4" ; chebi:inchi "InChI=1S/C25H27N3O4/c1-15(30)28-22-19(20(14-29)23(28)24(31)26-17-9-3-2-4-10-17)13-27-21(22)12-11-18(25(27)32)16-7-5-6-8-16/h2-4,7,9-12,19-20,22-23,29H,5-6,8,13-14H2,1H3,(H,26,31)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "CIRAGUKJUQGHED-YXPKMTABSA-N" ; chebi:mass "433.501" ; chebi:monoisotopicmass "433.20016" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@H]([C@@H]1C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13590" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17+,18+,19-/m0/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-MANSERQUSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-13591" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_102236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24+,27-/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-ONBPZOJHSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13592" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H32N6O3" ; chebi:inchi "InChI=1S/C26H32N6O3/c1-3-11-31-22-14-32-21(7-6-19(26(32)35)17-5-4-9-27-12-17)24(31)23(20(22)15-33)25(34)28-10-8-18-13-30(2)16-29-18/h4-7,9,12-13,16,20,22-24,33H,3,8,10-11,14-15H2,1-2H3,(H,28,34)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "HJZHDZIYUXDLGN-AZOUXBGGSA-N" ; chebi:mass "476.572" ; chebi:monoisotopicmass "476.25359" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCC5=CN(C=N5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13593" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13593" . obo:CHEBI_102238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N5O5S" ; chebi:inchi "InChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "NRKUZRFIJSCRHL-WOVHNISZSA-N" ; chebi:mass "579.713" ; chebi:monoisotopicmass "579.25154" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13594" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13594" . obo:CHEBI_102239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-VARILPKDSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13595" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_10224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1" ; chebi:inchikey "XUEHVOLRMXNRKQ-KHMAMNHCSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@@H]2[C@@H]13" ; oboInOwl:hasDbXref "CAS:17699-14-8" ; oboInOwl:hasDbXref "HMDB:HMDB0036413" ; oboInOwl:hasDbXref "KEGG:C09647" ; oboInOwl:hasDbXref "KNApSAcK:C00003120" ; oboInOwl:hasDbXref "PMID:21970810" ; oboInOwl:hasDbXref "PMID:24421258" ; oboInOwl:hasExactSynonym "4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]dec-3-ene" ; oboInOwl:hasExactSynonym "alpha-Cubebene" ; oboInOwl:hasExactSynonym "alpha-cubebene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-alpha-cubebene" ; oboInOwl:hasRelatedSynonym "a-Cubebene" ; oboInOwl:hasRelatedSynonym "alpha-cubeben" ; oboInOwl:hasRelatedSynonym "alpha-cubenene" ; oboInOwl:id "CHEBI:10224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Cubebene" . _:b1419 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:17699-14-8" ; rdfs:label "KEGG COMPOUND" . _:b1420 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21970810" ; rdfs:label "Europe PMC" . _:b1421 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24421258" ; rdfs:label "Europe PMC" . _:b1422 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]dec-3-ene" ; oboInOwl:hasDbXref "HMDB" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1423 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Cubebene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1424 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-cubebene" ; oboInOwl:hasDbXref "HMDB" . _:b1425 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-alpha-cubebene" ; oboInOwl:hasDbXref "HMDB" . _:b1426 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "a-Cubebene" ; oboInOwl:hasDbXref "HMDB" . _:b1427 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-cubeben" ; oboInOwl:hasDbXref "HMDB" . _:b1428 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10224 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-cubenene" ; oboInOwl:hasDbXref "HMDB" . obo:CHEBI_102240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21-,28+/m1/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-CJYOKPGZSA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13596" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_102241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m1/s1" ; chebi:inchikey "MWNPJFSJRUIJTE-SBEKKQRLSA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-13597" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_102242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C33H41FN4O4S" ; chebi:inchi "InChI=1S/C33H41FN4O4S/c1-33(2,3)43(41)38-22-26-21-28(32(40)35-12-6-13-37-14-17-42-18-15-37)36-31(30(26)29(38)11-16-39)25-9-4-7-23(19-25)24-8-5-10-27(34)20-24/h4-5,7-10,19-21,29,39H,6,11-18,22H2,1-3H3,(H,35,40)/t29-,43?/m1/s1" ; chebi:inchikey "LANWNDDZUXSLHG-CSOJFCJSSA-N" ; chebi:mass "608.769" ; chebi:monoisotopicmass "608.28326" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13598" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26+/m0/s1" ; chebi:inchikey "BBROUNWBLSFMDY-ISJBWFOZSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13599" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13599" . obo:CHEBI_102244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18-,20-/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-IHMNZUQTSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13600" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_102245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H32N2O7" ; chebi:inchi "InChI=1S/C24H32N2O7/c27-17-11-26(24(29)15-5-8-20-21(9-15)32-14-31-20)19-7-6-18(33-22(19)13-30-12-17)10-23(28)25-16-3-1-2-4-16/h5,8-9,16-19,22,27H,1-4,6-7,10-14H2,(H,25,28)/t17-,18-,19-,22+/m0/s1" ; chebi:inchikey "JZHWTQAESVMWQB-ZVVDCOBXSA-N" ; chebi:mass "460.521" ; chebi:monoisotopicmass "460.22095" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13601" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102245" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide" . obo:CHEBI_102246 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c30-15-23-25-21(11-19(34-23)12-24(31)28-14-16-2-1-7-27-13-16)20-10-18(3-4-22(20)35-25)29-26(32)17-5-8-33-9-6-17/h1-4,7,10,13,17,19,21,23,25,30H,5-6,8-9,11-12,14-15H2,(H,28,31)(H,29,32)/t19-,21-,23-,25+/m0/s1" ; chebi:inchikey "UAPJRYKULVRBJS-YALMDMJRSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13602" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102246" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102247 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_9332 ; owl:deprecated true . obo:CHEBI_102248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76902 ; obo:IAO_0000115 "An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of hypoxia-inducible factor-proline dioxygenase (EC 1.14.11.29)." ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitors" ; oboInOwl:hasRelatedSynonym "EC 1.14.11.29 inhibitor" ; oboInOwl:hasRelatedSynonym "EC 1.14.11.29 inhibitors" ; oboInOwl:hasRelatedSynonym "HIF hydroxylase inhibitor" ; oboInOwl:hasRelatedSynonym "HIF hydroxylase inhibitors" ; oboInOwl:hasRelatedSynonym "hypoxia-inducible factor-L-proline, 2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitor" ; oboInOwl:hasRelatedSynonym "hypoxia-inducible factor-L-proline, 2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitors" ; oboInOwl:hasRelatedSynonym "prolyl 4-hydroxylase inhibitor" ; oboInOwl:hasRelatedSynonym "prolyl 4-hydroxylase inhibitors" ; oboInOwl:id "CHEBI:102248" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor" . _:b1429 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1430 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 1.14.11.29 inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1431 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 1.14.11.29 inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1432 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "HIF hydroxylase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1433 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "HIF hydroxylase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1434 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hypoxia-inducible factor-L-proline, 2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1435 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hypoxia-inducible factor-L-proline, 2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1436 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "prolyl 4-hydroxylase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1437 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "prolyl 4-hydroxylase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102249 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29-,30+/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-WZQNMIHXSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13604" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102249" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13604" . obo:CHEBI_10225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62757 . _:b1438 rdf:type owl:Restriction . obo:CHEBI_10225 rdfs:subClassOf _:b1438 . _:b1438 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b1439 rdf:type owl:Restriction . obo:CHEBI_10225 rdfs:subClassOf _:b1439 . _:b1439 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_62758 . obo:CHEBI_10225 obo:IAO_0000115 "An alpha-curcumene that has R configuration at the chiral centre." ; chebi:charge "0" ; chebi:formula "C15H22" ; chebi:inchi "InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1" ; chebi:inchikey "VMYXUZSZMNBRCN-CQSZACIVSA-N" ; chebi:mass "202.33520" ; chebi:monoisotopicmass "202.17215" ; chebi:smiles "C[C@H](CCC=C(C)C)c1ccc(C)cc1" ; oboInOwl:hasDbXref "CAS:4176-17-4" ; oboInOwl:hasDbXref "KEGG:C09649" ; oboInOwl:hasDbXref "KNApSAcK:C00011617" ; oboInOwl:hasDbXref "PMID:15330612" ; oboInOwl:hasDbXref "PMID:17827762" ; oboInOwl:hasDbXref "PMID:21074818" ; oboInOwl:hasDbXref "Patent:WO2010099985" ; oboInOwl:hasDbXref "Reaxys:3603976" ; oboInOwl:hasExactSynonym "(-)-alpha-curcumene" ; oboInOwl:hasExactSynonym "1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(R)-(-)-alpha-curcumene" ; oboInOwl:hasRelatedSynonym "(R)-(-)-curcumene" ; oboInOwl:hasRelatedSynonym "(R)-curcumene" ; oboInOwl:hasRelatedSynonym "4-[(1R)-1,5-dimethylhex-4-enyl]-1-methylbenzene" ; oboInOwl:hasRelatedSynonym "l-alpha-Curcumene" ; oboInOwl:id "CHEBI:10225" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-alpha-curcumene" . _:b1440 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:4176-17-4" ; rdfs:label "ChemIDplus" . _:b1441 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:4176-17-4" ; rdfs:label "KEGG COMPOUND" . _:b1442 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15330612" ; rdfs:label "Europe PMC" . _:b1443 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17827762" ; rdfs:label "Europe PMC" . _:b1444 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21074818" ; rdfs:label "Europe PMC" . _:b1445 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:3603976" ; rdfs:label "Reaxys" . _:b1446 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(-)-alpha-curcumene" ; oboInOwl:hasDbXref "ChEBI" . _:b1447 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1448 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-(-)-alpha-curcumene" ; oboInOwl:hasDbXref "ChEBI" . _:b1449 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-(-)-curcumene" ; oboInOwl:hasDbXref "ChEBI" . _:b1450 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-curcumene" ; oboInOwl:hasDbXref "ChEBI" . _:b1451 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-[(1R)-1,5-dimethylhex-4-enyl]-1-methylbenzene" ; oboInOwl:hasDbXref "ChEBI" . _:b1452 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10225 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "l-alpha-Curcumene" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102250 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20+/m1/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-GUXCAODWSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasDbXref "LINCS:LSM-13605" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102250" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102251 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C18H23N3O4" ; chebi:inchi "InChI=1S/C18H23N3O4/c22-11-16-15(21-18(24)13-5-7-19-8-6-13)4-3-14(25-16)9-17(23)20-10-12-1-2-12/h3-8,12,14-16,22H,1-2,9-11H2,(H,20,23)(H,21,24)/t14-,15-,16+/m1/s1" ; chebi:inchikey "UGRHUCUWEJLITN-OAGGEKHMSA-N" ; chebi:mass "345.394" ; chebi:monoisotopicmass "345.16886" ; chebi:smiles "C1CC1CNC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13606" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102251" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_102252 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19+/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-GBESFXJTSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-13607" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102252" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102253 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24-,30-/m0/s1" ; chebi:inchikey "VBARFQGDBKSOKL-CQUCHYGKSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13608" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102253" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13608" . obo:CHEBI_102254 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-GSHUGGBRSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13609" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102254" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102255 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O5" ; chebi:inchi "InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23-,29+,30-/m0/s1" ; chebi:inchikey "DVGPQCDULGSEFB-XGMTZGAUSA-N" ; chebi:mass "530.656" ; chebi:monoisotopicmass "530.27807" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13610" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102255" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13610" . obo:CHEBI_102256 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_31252 ; owl:deprecated true . obo:CHEBI_102257 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18241 ; rdfs:subClassOf obo:CHEBI_48018 ; rdfs:subClassOf obo:CHEBI_48208 . _:b1453 rdf:type owl:Restriction . obo:CHEBI_102257 rdfs:subClassOf _:b1453 . _:b1453 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1454 rdf:type owl:Restriction . obo:CHEBI_102257 rdfs:subClassOf _:b1454 . _:b1454 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_102328 . obo:CHEBI_102257 obo:IAO_0000115 "A N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine 5'-monophosphate." ; chebi:charge "0" ; chebi:formula "C9H14N3O8P" ; chebi:inchi "InChI=1S/C9H14N3O8P/c1-4-8(14)10-9(15)12(11-4)7-2-5(13)6(20-7)3-19-21(16,17)18/h5-7,13H,2-3H2,1H3,(H,10,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1" ; chebi:inchikey "JIPUKSRBXPZDPW-RRKCRQDMSA-N" ; chebi:mass "323.197" ; chebi:monoisotopicmass "323.05185" ; chebi:smiles "N1=C(C)C(NC(N1[C@@H]2O[C@H](COP(O)(=O)O)[C@H](C2)O)=O)=O" ; oboInOwl:hasDbXref "PMID:22422522" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasDbXref "Reaxys:50644" ; oboInOwl:hasExactSynonym "2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "6-aza-2'-deoxythymine 5'-monophosphate" ; oboInOwl:hasRelatedSynonym "6-aza-dTMP" ; oboInOwl:hasRelatedSynonym "6-azathymidine 5'-phosphate" ; oboInOwl:hasRelatedSynonym "azathymidine 5'-monophosphate" ; oboInOwl:id "CHEBI:102257" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-azathymidine 5'-monophosphate" . _:b1455 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22422522" ; rdfs:label "Europe PMC" . _:b1456 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1457 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:50644" ; rdfs:label "Reaxys" . _:b1458 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1459 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-aza-2'-deoxythymine 5'-monophosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1460 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-aza-dTMP" ; oboInOwl:hasDbXref "ChEBI" . _:b1461 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-azathymidine 5'-phosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1462 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102257 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "azathymidine 5'-monophosphate" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102258 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-HUOQQOJOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13612" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102258" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_102259 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21-,22+/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-LNRXMEIDSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13613" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102259" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_10226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H20O2" ; chebi:inchi "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m0/s1" ; chebi:inchikey "UHODXTMZSDNATP-SFDCQRBFSA-N" ; chebi:mass "232.319" ; chebi:monoisotopicmass "232.14633" ; chebi:smiles "CC1=CCC[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12" ; oboInOwl:hasDbXref "CAS:2221-81-0" ; oboInOwl:hasDbXref "KEGG:C09383" ; oboInOwl:hasDbXref "KNApSAcK:C00003241" ; oboInOwl:hasExactSynonym "alpha-Cyclocostunolide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Cyclocostunolide" . _:b1463 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10226 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2221-81-0" ; rdfs:label "KEGG COMPOUND" . _:b1464 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10226 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Cyclocostunolide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102260 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15-,17+,20+/m0/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-BQCJVYABSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13614" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102260" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102261 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15+,16+/m1/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-PMPSAXMXSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13615" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102261" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102262 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O5" ; chebi:inchi "InChI=1S/C28H37FN4O5/c1-6-13-30-28(36)31-20-11-12-24-22(14-20)26(34)32(4)16-25(37-5)18(2)15-33(19(3)17-38-24)27(35)21-9-7-8-10-23(21)29/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,30,31,36)/t18-,19-,25+/m0/s1" ; chebi:inchikey "IESMZGXEKVWDTA-XHNVNVPESA-N" ; chebi:mass "528.617" ; chebi:monoisotopicmass "528.27480" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C" ; oboInOwl:hasDbXref "LINCS:LSM-13616" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102262" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C31H33N5O3S" ; chebi:inchi "InChI=1S/C31H33N5O3S/c1-31(2,3)40(39)36-20-25-18-26(30(38)34-19-21-7-12-32-13-8-21)35-29(28(25)27(36)11-16-37)24-6-4-5-23(17-24)22-9-14-33-15-10-22/h4-10,12-15,17-18,27,37H,11,16,19-20H2,1-3H3,(H,34,38)/t27-,40-/m0/s1" ; chebi:inchikey "VKWMOKPZZRMWDJ-PDBZVODSSA-N" ; chebi:mass "555.693" ; chebi:monoisotopicmass "555.23041" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13617" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102264 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O5S" ; chebi:inchi "InChI=1S/C22H34ClN3O5S/c23-17-5-4-6-19(15-17)32(29,30)25-20-8-7-18(31-21(20)16-27)9-11-24-22(28)10-14-26-12-2-1-3-13-26/h4-6,15,18,20-21,25,27H,1-3,7-14,16H2,(H,24,28)/t18-,20+,21-/m1/s1" ; chebi:inchikey "QYROUQDLUMQXKE-HLAWJBBLSA-N" ; chebi:mass "488.042" ; chebi:monoisotopicmass "487.19077" ; chebi:smiles "C1CCN(CC1)CCC(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13618" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102264" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102265 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_39447 ; rdfs:subClassOf obo:CHEBI_87228 . _:b1465 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1465 . _:b1465 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_33281 . _:b1466 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1466 . _:b1466 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35441 . _:b1467 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1467 . _:b1467 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35703 . _:b1468 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1468 . _:b1468 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b1469 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1469 . _:b1469 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50502 . _:b1470 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1470 . _:b1470 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50903 . _:b1471 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1471 . _:b1471 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_52214 . _:b1472 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1472 . _:b1472 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_78298 . _:b1473 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1473 . _:b1473 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1474 rdf:type owl:Restriction . obo:CHEBI_102265 rdfs:subClassOf _:b1474 . _:b1474 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102265 obo:IAO_0000115 "A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position." ; chebi:charge "0" ; chebi:formula "C12H14N4O2S" ; chebi:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)" ; chebi:inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N" ; chebi:mass "278.33000" ; chebi:monoisotopicmass "278.08375" ; chebi:smiles "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1" ; oboInOwl:hasDbXref "Beilstein:261304" ; oboInOwl:hasDbXref "CAS:57-68-1" ; oboInOwl:hasDbXref "DrugBank:DB01582" ; oboInOwl:hasDbXref "Drug_Central:2502" ; oboInOwl:hasDbXref "Gmelin:1009759" ; oboInOwl:hasDbXref "HMDB:HMDB0015522" ; oboInOwl:hasDbXref "KEGG:C19530" ; oboInOwl:hasDbXref "KEGG:D02436" ; oboInOwl:hasDbXref "LINCS:LSM-5295" ; oboInOwl:hasDbXref "PMID:11431418" ; oboInOwl:hasDbXref "PMID:14552772" ; oboInOwl:hasDbXref "PMID:15603963" ; oboInOwl:hasDbXref "PMID:17311370" ; oboInOwl:hasDbXref "PMID:17596632" ; oboInOwl:hasDbXref "PMID:20028131" ; oboInOwl:hasDbXref "PMID:22903812" ; oboInOwl:hasDbXref "PMID:23218311" ; oboInOwl:hasDbXref "PMID:23384282" ; oboInOwl:hasDbXref "PMID:23434485" ; oboInOwl:hasDbXref "PMID:23454458" ; oboInOwl:hasDbXref "PMID:23562141" ; oboInOwl:hasDbXref "PMID:23636590" ; oboInOwl:hasDbXref "PMID:23673752" ; oboInOwl:hasDbXref "PMID:23673946" ; oboInOwl:hasDbXref "PMID:23704574" ; oboInOwl:hasDbXref "PMID:6864729" ; oboInOwl:hasDbXref "PMID:7021831" ; oboInOwl:hasDbXref "PMID:7328159" ; oboInOwl:hasDbXref "PMID:8199304" ; oboInOwl:hasDbXref "PMID:9886437" ; oboInOwl:hasDbXref "Patent:EP1861101" ; oboInOwl:hasDbXref "Patent:GB546158" ; oboInOwl:hasDbXref "Patent:GB552887" ; oboInOwl:hasDbXref "Patent:US2407966" ; oboInOwl:hasDbXref "Patent:US3119818" ; oboInOwl:hasDbXref "Patent:WO2005016386" ; oboInOwl:hasDbXref "Reaxys:261304" ; oboInOwl:hasDbXref "VSDB:1829" ; oboInOwl:hasDbXref "Wikipedia:Sulfadimidine" ; oboInOwl:hasExactSynonym "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin" ; oboInOwl:hasRelatedSynonym "2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" ; oboInOwl:hasRelatedSynonym "2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" ; oboInOwl:hasRelatedSynonym "2-Sulfanilamido-4,6-dimethylpyrimidine" ; oboInOwl:hasRelatedSynonym "4,6-Dimethyl-2-sulfanilamidopyrimidine" ; oboInOwl:hasRelatedSynonym "4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide" ; oboInOwl:hasRelatedSynonym "4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide" ; oboInOwl:hasRelatedSynonym "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasRelatedSynonym "6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin" ; oboInOwl:hasRelatedSynonym "N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide" ; oboInOwl:hasRelatedSynonym "N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide" ; 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owl:annotatedTarget "CAS:57-68-1" ; rdfs:label "ChemIDplus" . _:b1477 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:57-68-1" ; rdfs:label "KEGG COMPOUND" . _:b1478 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:57-68-1" ; rdfs:label "NIST Chemistry WebBook" . _:b1479 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2502" ; rdfs:label "DrugCentral" . _:b1480 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:1009759" ; rdfs:label "Gmelin" . _:b1481 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11431418" ; rdfs:label "Europe PMC" . _:b1482 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; 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owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8199304" ; rdfs:label "Europe PMC" . _:b1501 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9886437" ; rdfs:label "Europe PMC" . _:b1502 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:261304" ; rdfs:label "Reaxys" . _:b1503 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1504 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(p-Aminobenzolsulfonyl)-2-amino-4,6-dimethylpyrimidin" ; oboInOwl:hasDbXref "ChEBI" . _:b1505 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1506 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(p-Aminobenzenesulfonamido)-4,6-dimethylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1507 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-Sulfanilamido-4,6-dimethylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1508 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,6-Dimethyl-2-sulfanilamidopyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1509 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-Amino-N-(2,6-dimethyl-4-pyrimidinyl)benzenesulfonamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1510 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b1511 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" ; oboInOwl:hasDbXref "ChEMBL" . _:b1512 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-(4'-Aminobenzol-sulfonamido)-2,4-dimethylpyrimidin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1513 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(1)-(4,6-Dimethyl-2-pyrimidinyl)sulfanilamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1514 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(1)-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1515 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(4,6-Dimethyl-2-pyrimidyl)sulfanilamide" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1516 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "SMZ" ; oboInOwl:hasDbXref "ChEBI" . _:b1517 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfadimethyldiazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1518 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfadimethylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1519 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfametazina" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1520 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfametazyny" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1521 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfamezathine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1522 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphadimethylpyrimidine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1523 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphamethazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1524 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfadimidina" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1525 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfadimidine" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b1526 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfadimidinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1527 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102265 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamethazone" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102266 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25095 ; obo:IAO_0000115 "An L-lysine derivative in which the alpha-amino nitrogen of the amino acid has entered into amide formation with acetic acid and the epsilon-amino nitrogen carries a 1,4-dihydroxynonan-3-yl substituent. It has been synthesised by reaction of (E)-4-hydroxynon-2-enal (HNE) with N(2)-acetyl-L-lysine, the epsilon amino group of lysine reacting with the double bond function of HNE via formation of a Michael adduct." ; chebi:charge "0" ; chebi:formula "C17H34N2O5" ; chebi:inchi "InChI=1S/C17H34N2O5/c1-3-4-5-9-16(22)14(10-12-20)18-11-7-6-8-15(17(23)24)19-13(2)21/h14-16,18,20,22H,3-12H2,1-2H3,(H,19,21)(H,23,24)/t14?,15-,16?/m0/s1" ; chebi:inchikey "BKUOTYXIHKVDJX-PCKAHOCUSA-N" ; chebi:mass "346.463" ; chebi:monoisotopicmass "346.24677" ; chebi:smiles "C(=O)([C@@H](NC(=O)C)CCCCNC(C(CCCCC)O)CCO)O" ; oboInOwl:hasDbXref "PMID:26800898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "HNE-modified N-acetyl-L-lysine" ; oboInOwl:hasRelatedSynonym "N(2)-acetyl-N(6)-[1-(2-hydroxyethyl)-2-hydroxyheptyl]-L-lysine" ; oboInOwl:hasRelatedSynonym "N(2)-acetyl-N(6)-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-lysine" ; oboInOwl:hasRelatedSynonym "N(alpha)-acetyl-N(epsilon)-(1,4-dihydroxynonan-3-yl)-L-lysine" ; oboInOwl:hasRelatedSynonym "N(alpha)-acetyl-N(epsilon)-[1-(2-hydroxyethyl)-2-hydroxyheptyl]-L-lysine" ; oboInOwl:hasRelatedSynonym "N(alpha)-acetyl-N(epsilon)-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-lysine" ; oboInOwl:id "CHEBI:102266" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(2)-acetyl-N(6)-(1,4-dihydroxynonan-3-yl)-L-lysine" . _:b1528 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:26800898" ; rdfs:label "Europe PMC" . _:b1529 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "HNE-modified N-acetyl-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . _:b1530 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(2)-acetyl-N(6)-[1-(2-hydroxyethyl)-2-hydroxyheptyl]-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . _:b1531 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(2)-acetyl-N(6)-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . _:b1532 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(alpha)-acetyl-N(epsilon)-(1,4-dihydroxynonan-3-yl)-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . _:b1533 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(alpha)-acetyl-N(epsilon)-[1-(2-hydroxyethyl)-2-hydroxyheptyl]-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . _:b1534 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102266 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(alpha)-acetyl-N(epsilon)-[2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-lysine" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102267 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c31-15-23-25-21(12-19(34-23)13-24(32)28-14-16-7-9-27-10-8-16)20-11-18(5-6-22(20)35-25)30-26(33)29-17-3-1-2-4-17/h5-11,17,19,21,23,25,31H,1-4,12-15H2,(H,28,32)(H2,29,30,33)/t19-,21-,23-,25+/m1/s1" ; chebi:inchikey "CSQKNNUUWCECGY-YTAKYCMFSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13620" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102267" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102268 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H26N2O4" ; chebi:inchi "InChI=1S/C21H26N2O4/c24-13-19-18(22-21(26)15-5-6-15)8-7-17(27-19)11-20(25)23-10-9-14-3-1-2-4-16(14)12-23/h1-4,7-8,15,17-19,24H,5-6,9-13H2,(H,22,26)/t17-,18+,19-/m0/s1" ; chebi:inchikey "QCIRQJIZWMFOON-OTWHNJEPSA-N" ; chebi:mass "370.443" ; chebi:monoisotopicmass "370.18926" ; chebi:smiles "C1CC1C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-13621" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102268" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102269 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C9H15NO4" ; chebi:inchi "InChI=1S/C9H15NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h2-3,6-8,11H,4-5,10H2,1H3/t6-,7+,8+/m1/s1" ; chebi:inchikey "PDEPTYJJYHVXNY-CSMHCCOUSA-N" ; chebi:mass "201.220" ; chebi:monoisotopicmass "201.10011" ; chebi:smiles "COC(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-13622" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102269" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-amino-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester" . obo:CHEBI_10227 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17734 ; owl:deprecated true . obo:CHEBI_102270 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H40N4O6" ; chebi:inchi "InChI=1S/C27H40N4O6/c1-18-14-31(25(32)16-30-9-11-36-12-10-30)19(2)17-37-23-8-7-21(28-26(33)20-5-6-20)13-22(23)27(34)29(3)15-24(18)35-4/h7-8,13,18-20,24H,5-6,9-12,14-17H2,1-4H3,(H,28,33)/t18-,19-,24+/m1/s1" ; chebi:inchikey "UGPRBZOFAYTTOL-IECBHUPTSA-N" ; chebi:mass "516.631" ; chebi:monoisotopicmass "516.29479" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13623" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102270" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[2-(4-morpholinyl)-1-oxoethyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102271 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20-,26-/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-DYLHXGEVSA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13624" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102271" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13624" . obo:CHEBI_102272 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H32N4O3" ; chebi:inchi "InChI=1S/C25H32N4O3/c1-28-22-19(20(15-30)23(28)24(31)27-12-16-6-3-2-4-7-16)14-29-21(22)10-9-18(25(29)32)17-8-5-11-26-13-17/h5,8-11,13,16,19-20,22-23,30H,2-4,6-7,12,14-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "ODVRBXJNMOGDSF-YXPKMTABSA-N" ; chebi:mass "436.548" ; chebi:monoisotopicmass "436.24744" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@H]([C@@H]1C(=O)NCC5CCCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13625" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102272" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102273 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20-/m1/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-VAMGGRTRSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13626" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102273" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18-/m0/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-BZSNNMDCSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13627" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19-,21+/m1/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-QFUCXCTJSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13628" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102275" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_102276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H31N3O4S" ; chebi:inchi "InChI=1S/C25H31N3O4S/c1-25(2,3)33(32)28-16-19-15-20(24(30)31)26-23(22(19)21(28)11-13-29)18-10-6-8-17(14-18)9-7-12-27(4)5/h6,8,10,14-15,21,29H,11-13,16H2,1-5H3,(H,30,31)/t21-,33?/m0/s1" ; chebi:inchikey "DIAWSVIFYKTHOJ-KEDGCLKXSA-N" ; chebi:mass "469.598" ; chebi:monoisotopicmass "469.20353" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCN(C)C)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13629" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102276" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid" . obo:CHEBI_102277 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23-,30+/m1/s1" ; chebi:inchikey "DEQYHGFYIZKXEQ-JWUQWVJQSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13630" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102277" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13630" . obo:CHEBI_102278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H31FN4O4" ; chebi:inchi "InChI=1S/C26H31FN4O4/c1-14(2)28-26(35)31-22-18(19(13-32)23(31)24(33)29-15-6-5-7-15)12-30-21(22)11-10-17(25(30)34)16-8-3-4-9-20(16)27/h3-4,8-11,14-15,18-19,22-23,32H,5-7,12-13H2,1-2H3,(H,28,35)(H,29,33)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "LYKIZZQLQMQPAT-LBVMUVSTSA-N" ; chebi:mass "482.548" ; chebi:monoisotopicmass "482.23293" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13631" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102278" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N2-cyclobutyl-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_102279 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C32H33FN4O3S" ; chebi:inchi "InChI=1S/C32H33FN4O3S/c1-32(2,3)41(40)37-20-25-18-27(31(39)35-19-24-7-4-5-10-26(24)33)36-30(29(25)28(37)13-16-38)23-9-6-8-22(17-23)21-11-14-34-15-12-21/h4-12,14-15,17-18,28,38H,13,16,19-20H2,1-3H3,(H,35,39)/t28-,41-/m1/s1" ; chebi:inchikey "SOFJTHGIOAEHFZ-GIEABIOQSA-N" ; chebi:mass "572.695" ; chebi:monoisotopicmass "572.22574" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-13632" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102279" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10228 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18260 ; owl:deprecated true . obo:CHEBI_102280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "APRVPIVHITUHLQ-PHVLTXCSSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13633" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102280" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13633" . obo:CHEBI_102281 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18+/m1/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-KURKYZTESA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13634" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102281" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102282 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-WOVHNISZSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13635" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102282" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13635" . obo:CHEBI_102283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-DFICYWPVSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13636" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102283" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m0/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-PAXLWEDBSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13637" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102284" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_102285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19-/m1/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-BHIYHBOVSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102286 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21+/m1/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-LQWHRVPQSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13639" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102286" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102287 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H29F3N4O5" ; chebi:inchi "InChI=1S/C26H29F3N4O5/c1-15-3-5-16(6-4-15)31-25(36)32-17-7-10-21-19(11-17)24(35)33(2)20-9-8-18(38-22(20)13-37-21)12-23(34)30-14-26(27,28)29/h3-7,10-11,18,20,22H,8-9,12-14H2,1-2H3,(H,30,34)(H2,31,32,36)/t18-,20+,22+/m0/s1" ; chebi:inchikey "PPTVZYJXLGYDRY-CZTZKLFOSA-N" ; chebi:mass "534.528" ; chebi:monoisotopicmass "534.20900" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC(F)(F)F)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13640" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102287" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_102288 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20-,24+,26+/m1/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-ODQDCYGBSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13641" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30+/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-GBXOJDCZSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13642" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13642" . obo:CHEBI_10229 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_46688 ; owl:deprecated true . obo:CHEBI_102290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-VSCJKUSUSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13643" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m0/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-RHGYRFJNSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13644" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-BEKAIBRUSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-13645" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13645" . obo:CHEBI_102293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25+,27-/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-NRRYGQPISA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13646" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21+,22-,23-,24+/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-UZKJWJASSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13647" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28+/m0/s1" ; chebi:inchikey "CYZHERASHFZITE-BALWLHIASA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13648" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13648" . obo:CHEBI_102296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-14-29(20(2)16-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-26(19)15-28(3)36(32,33)22-12-13-35-18-22/h4-13,18-20,26,30H,14-17H2,1-3H3/t19-,20-,26-/m1/s1" ; chebi:inchikey "ROXJHZXKWGUYER-XMERXJNXSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13649" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13649" . obo:CHEBI_102297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20+,24-/m0/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-NRYAXDJKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13650" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m0/s1" ; chebi:inchikey "SXBHHBYKOFATQA-PDBZVODSSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13651" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H26FN3O6S" ; chebi:inchi "InChI=1S/C26H26FN3O6S/c27-17-3-6-20(7-4-17)37(33,34)30-18-5-8-23-21(10-18)22-11-19(35-24(15-31)26(22)36-23)12-25(32)29-14-16-2-1-9-28-13-16/h1-10,13,19,22,24,26,30-31H,11-12,14-15H2,(H,29,32)/t19-,22+,24-,26-/m1/s1" ; chebi:inchikey "MZNDQAVBBCTOIA-OLTCJGHMSA-N" ; chebi:mass "527.567" ; chebi:monoisotopicmass "527.15263" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13652" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_1023 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18112 ; owl:deprecated true . obo:CHEBI_10230 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27525 ; owl:deprecated true . obo:CHEBI_102300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1535 rdf:type owl:Restriction . obo:CHEBI_102300 rdfs:subClassOf _:b1535 . _:b1535 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102300 chebi:charge "0" ; chebi:formula "C25H36N4O4" ; chebi:inchi "InChI=1S/C25H36N4O4/c30-16-19-20-15-29-21(8-7-18(25(29)32)17-5-2-1-3-6-17)23(27-20)22(19)24(31)26-9-4-10-28-11-13-33-14-12-28/h5,7-8,19-20,22-23,27,30H,1-4,6,9-16H2,(H,26,31)/t19-,20-,22+,23+/m0/s1" ; chebi:inchikey "QXIHUUSMHZUCPE-JFJDKTSWSA-N" ; chebi:mass "456.579" ; chebi:monoisotopicmass "456.27366" ; chebi:smiles "C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13653" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13653" . obo:CHEBI_102301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H27FN2O5S" ; chebi:inchi "InChI=1S/C20H27FN2O5S/c21-14-6-9-17(10-7-14)29(26,27)23-18-11-8-16(28-19(18)13-24)12-20(25)22-15-4-2-1-3-5-15/h6-11,15-16,18-19,23-24H,1-5,12-13H2,(H,22,25)/t16-,18-,19+/m1/s1" ; chebi:inchikey "VZTWMEPVNSFWIB-QRQLOZEOSA-N" ; chebi:mass "426.504" ; chebi:monoisotopicmass "426.16247" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13654" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclohexyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-XLNZFTOWSA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13655" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22+,23+/m1/s1" ; chebi:inchikey "URVFCIGKBRHLNA-PUHATCMVSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13656" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_102304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28-/m0/s1" ; chebi:inchikey "CYZHERASHFZITE-GTNJKRJXSA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13657" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13657" . obo:CHEBI_102305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H34N4O6S" ; chebi:inchi "InChI=1S/C23H34N4O6S/c1-4-34(30,31)24-16-5-8-20-18(13-16)23(29)26(3)19-7-6-17(33-21(19)15-32-20)14-22(28)27-11-9-25(2)10-12-27/h5,8,13,17,19,21,24H,4,6-7,9-12,14-15H2,1-3H3/t17-,19-,21+/m0/s1" ; chebi:inchikey "RRCKKFPVDDPSKT-HFSMHLIXSA-N" ; chebi:mass "494.606" ; chebi:monoisotopicmass "494.21991" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13658" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide" . obo:CHEBI_102306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H32N4O3" ; chebi:inchi "InChI=1S/C25H32N4O3/c1-28-22-19(20(15-30)23(28)24(31)27-12-16-6-3-2-4-7-16)14-29-21(22)10-9-18(25(29)32)17-8-5-11-26-13-17/h5,8-11,13,16,19-20,22-23,30H,2-4,6-7,12,14-15H2,1H3,(H,27,31)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "ODVRBXJNMOGDSF-RLBLXZPPSA-N" ; chebi:mass "436.548" ; chebi:monoisotopicmass "436.24744" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NCC5CCCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13659" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H38N4O5" ; chebi:inchi "InChI=1S/C25H38N4O5/c1-15(2)26-25(32)29-12-16(3)22(33-6)13-28(5)24(31)20-11-19(27-23(30)18-7-8-18)9-10-21(20)34-14-17(29)4/h9-11,15-18,22H,7-8,12-14H2,1-6H3,(H,26,32)(H,27,30)/t16-,17-,22-/m0/s1" ; chebi:inchikey "CYXOTKWKLUXHGN-HOIFWPIMSA-N" ; chebi:mass "474.594" ; chebi:monoisotopicmass "474.28422" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13660" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S,7S,8R)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19-,20-,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-OTNPHJDUSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13661" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23-,24+/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-QPXUXIHVSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13662" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_10231 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28061 ; owl:deprecated true . obo:CHEBI_102310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17-,18+/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-TVFCKZIOSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13663" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-ZACQAIPSSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13664" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O3S" ; chebi:inchi "InChI=1S/C17H20N2O3S/c1-3-4-5-6-13-7-9-14(10-8-13)17-15(11-18)19(16(17)12-20)23(2,21)22/h7-10,15-17,20H,3-4,12H2,1-2H3/t15-,16+,17+/m1/s1" ; chebi:inchikey "COUPNDMEVDHIHS-IKGGRYGDSA-N" ; chebi:mass "332.419" ; chebi:monoisotopicmass "332.11946" ; chebi:smiles "CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13665" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102312" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile" . obo:CHEBI_102313 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C15H16FNO5" ; chebi:inchi "InChI=1S/C15H16FNO5/c16-11-4-2-1-3-10(11)15(21)17-12-6-5-9(7-14(19)20)22-13(12)8-18/h1-6,9,12-13,18H,7-8H2,(H,17,21)(H,19,20)/t9-,12+,13+/m1/s1" ; chebi:inchikey "QPJNNDOFKLWHFX-ICCXJUOJSA-N" ; chebi:mass "309.290" ; chebi:monoisotopicmass "309.10125" ; chebi:smiles "C1=CC=C(C(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)O)F" ; oboInOwl:hasDbXref "LINCS:LSM-13666" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102313" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-3-[[(2-fluorophenyl)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid" . obo:CHEBI_102314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C34H43N5O4S" ; chebi:inchi "InChI=1S/C34H43N5O4S/c1-34(2,3)44(43)39-22-27-21-28(33(42)38-17-15-37(6)16-18-38)35-31(30(27)29(39)14-19-40)26-9-7-8-25(20-26)23-10-12-24(13-11-23)32(41)36(4)5/h7-13,20-21,29,40H,14-19,22H2,1-6H3/t29-,44-/m1/s1" ; chebi:inchikey "IQZRUSWQLPQALK-FUGCVYLMSA-N" ; chebi:mass "617.804" ; chebi:monoisotopicmass "617.30358" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13667" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51569 ; chebi:charge "0" ; chebi:formula "C27H30N2O5" ; chebi:inchi "InChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "SPQKGDIXEATJCL-CJTFWIGWSA-N" ; chebi:mass "462.539" ; chebi:monoisotopicmass "462.21547" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]2N1C(=O)C5CCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13668" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13668" . obo:CHEBI_102316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22+/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-SJBKTWHCSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13669" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19+,24+/m0/s1" ; chebi:inchikey "AICRRUIGWBNRBB-XLNZFTOWSA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13670" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N3O4" ; chebi:inchi "InChI=1S/C27H43N3O4/c1-6-9-26(31)28-22-12-13-24-23(14-22)27(32)29(4)17-25(33-5)19(2)15-30(20(3)18-34-24)16-21-10-7-8-11-21/h12-14,19-21,25H,6-11,15-18H2,1-5H3,(H,28,31)/t19-,20+,25+/m1/s1" ; chebi:inchikey "VSOIFNIWZGPCNV-RNHFSVANSA-N" ; chebi:mass "473.649" ; chebi:monoisotopicmass "473.32536" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3CCCC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13671" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-27-23(16-21(36-25)17-26(34)29-11-14-32-12-5-2-6-13-32)22-15-20(9-10-24(22)37-27)31-28(35)30-19-7-3-1-4-8-19/h1,3-4,7-10,15,21,23,25,27,33H,2,5-6,11-14,16-18H2,(H,29,34)(H2,30,31,35)/t21-,23-,25+,27+/m1/s1" ; chebi:inchikey "VIZOEWJOWGMLTK-RESCMLIYSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13672" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_10232 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17973 ; owl:deprecated true . obo:CHEBI_102320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29FN2O4" ; chebi:inchi "InChI=1S/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m1/s1" ; chebi:inchikey "PYNGVIMXOMYUPN-QQUTXWOLSA-N" ; chebi:mass "440.508" ; chebi:monoisotopicmass "440.21114" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]1N2CC5CCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13673" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13673" . obo:CHEBI_102321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H24F5N3O4" ; chebi:inchi "InChI=1S/C23H24F5N3O4/c24-15-7-13(8-16(25)9-15)11-29-21(33)10-18-5-6-19(20(12-32)35-18)31-22(34)30-17-3-1-14(2-4-17)23(26,27)28/h1-4,7-9,18-20,32H,5-6,10-12H2,(H,29,33)(H2,30,31,34)/t18-,19-,20+/m0/s1" ; chebi:inchikey "CXBDXCVDLXJCMX-SLFFLAALSA-N" ; chebi:mass "501.447" ; chebi:monoisotopicmass "501.16870" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13674" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-YDIMBITNSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13675" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-/m1/s1" ; chebi:inchikey "ADKYEMYUARXISC-MAARLIENSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13676" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-2-30-23-17-31-22(10-9-20(27(31)34)19-7-4-3-5-8-19)25(30)24(21(23)18-32)26(33)28-11-6-12-29-13-15-35-16-14-29/h3-5,7-10,21,23-25,32H,2,6,11-18H2,1H3,(H,28,33)/t21-,23-,24+,25+/m0/s1" ; chebi:inchikey "VXNMHMGWLBIVRP-VLYJIQRVSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13677" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13677" . obo:CHEBI_102325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-GSHUGGBRSA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13678" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O4" ; chebi:inchi "InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24+,25-,31-/m0/s1" ; chebi:inchikey "WVFRUYXRTWIHMU-PBANKSGMSA-N" ; chebi:mass "582.734" ; chebi:monoisotopicmass "582.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13679" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13679" . obo:CHEBI_102327 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_7983 ; owl:deprecated true . obo:CHEBI_102328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39410 ; rdfs:subClassOf obo:CHEBI_3992 ; rdfs:subClassOf obo:CHEBI_67142 . _:b1536 rdf:type owl:Restriction . obo:CHEBI_102328 rdfs:subClassOf _:b1536 . _:b1536 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_102368 . _:b1537 rdf:type owl:Restriction . obo:CHEBI_102328 rdfs:subClassOf _:b1537 . _:b1537 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_102328 obo:IAO_0000115 "A nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen." ; chebi:charge "0" ; chebi:formula "C4H5N3O2" ; chebi:inchi "InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)" ; chebi:inchikey "XZWMZFQOHTWGQE-UHFFFAOYSA-N" ; chebi:mass "127.102" ; chebi:monoisotopicmass "127.03818" ; chebi:smiles "N1=C(C)C(NC(N1)=O)=O" ; oboInOwl:hasDbXref "CAS:932-53-6" ; oboInOwl:hasDbXref "PMID:14489046" ; oboInOwl:hasDbXref "PMID:2158891" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasDbXref "PMID:24475102" ; oboInOwl:hasDbXref "PMID:2468153" ; oboInOwl:hasDbXref "PMID:2672681" ; oboInOwl:hasDbXref "PMID:2756114" ; oboInOwl:hasDbXref "PMID:4004262" ; oboInOwl:hasDbXref "PMID:52947" ; oboInOwl:hasDbXref "PMID:6266267" ; oboInOwl:hasDbXref "PMID:6688075" ; oboInOwl:hasDbXref "Reaxys:126863" ; oboInOwl:hasExactSynonym "6-methyl-1,2,4-triazine-3,5(2H,4H)-dione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-Methyl-6-azauracil" ; oboInOwl:hasRelatedSynonym "6-Methyl-1,2,4-triazine-3,5-dione" ; oboInOwl:hasRelatedSynonym "6-Methyl-as-triazine-3,5-(2H,4H)-dione" ; oboInOwl:hasRelatedSynonym "Azathymine" ; oboInOwl:id "CHEBI:102328" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-azathymine" . _:b1538 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:932-53-6" ; rdfs:label "ChemIDplus" . _:b1539 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:932-53-6" ; rdfs:label "NIST Chemistry WebBook" . _:b1540 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14489046" ; rdfs:label "Europe PMC" . _:b1541 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2158891" ; rdfs:label "Europe PMC" . _:b1542 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1543 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24475102" ; rdfs:label "Europe PMC" . _:b1544 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2468153" ; rdfs:label "Europe PMC" . _:b1545 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2672681" ; rdfs:label "Europe PMC" . _:b1546 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2756114" ; rdfs:label "Europe PMC" . _:b1547 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:4004262" ; rdfs:label "Europe PMC" . _:b1548 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:52947" ; rdfs:label "Europe PMC" . _:b1549 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6266267" ; rdfs:label "Europe PMC" . _:b1550 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6688075" ; rdfs:label "Europe PMC" . _:b1551 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:126863" ; rdfs:label "Reaxys" . _:b1552 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-methyl-1,2,4-triazine-3,5(2H,4H)-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1553 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Methyl-6-azauracil" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1554 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Methyl-1,2,4-triazine-3,5-dione" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1555 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Methyl-as-triazine-3,5-(2H,4H)-dione" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1556 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102328 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Azathymine" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "BNYRIOADMGPGIR-YDHSSHFGSA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13681" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_10233 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17954 ; owl:deprecated true . obo:CHEBI_102330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H30F2N2O6" ; chebi:inchi "InChI=1S/C27H30F2N2O6/c28-17-1-3-22(29)16(9-17)13-30-25(33)12-19-11-21-20-10-18(31-27(34)15-5-7-35-8-6-15)2-4-23(20)37-26(21)24(14-32)36-19/h1-4,9-10,15,19,21,24,26,32H,5-8,11-14H2,(H,30,33)(H,31,34)/t19-,21+,24+,26-/m0/s1" ; chebi:inchikey "UVPONYOZSFJNDG-RDCZCFFCSA-N" ; chebi:mass "516.535" ; chebi:monoisotopicmass "516.20719" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13682" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-BUALBWRZSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13683" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-28(2)27(33)24-20(16-31)22-15-30-21(13-12-19(26(30)32)17-8-4-5-9-17)25(24)29(22)14-18-10-6-7-11-23(18)34-3/h6-8,10-13,20,22,24-25,31H,4-5,9,14-16H2,1-3H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "CAYQEZITEZQLOQ-MMTHZHQFSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5=CC=CC=C5OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13684" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13684" . obo:CHEBI_102333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17+,18-/m0/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-JFTQMJAMSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13685" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-33-20-7-5-19(6-8-20)23-17-30(28-27-23)16-11-21-9-10-22(24(18-31)34-21)26-25(32)12-15-29-13-3-2-4-14-29/h5-8,17,21-22,24,31H,2-4,9-16,18H2,1H3,(H,26,32)/t21-,22-,24-/m0/s1" ; chebi:inchikey "CTEVGNUGMCZMIF-FIXSFTCYSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)CCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13686" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H33FN2O5S" ; chebi:inchi "InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "NDGBDPWBOPYDPZ-SELNLUPBSA-N" ; chebi:mass "480.595" ; chebi:monoisotopicmass "480.20942" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13687" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_102336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27N5O3" ; chebi:inchi "InChI=1S/C23H27N5O3/c29-16-22-20(25-23(30)14-18-8-4-5-12-24-18)10-9-19(31-22)11-13-28-15-21(26-27-28)17-6-2-1-3-7-17/h1-8,12,15,19-20,22,29H,9-11,13-14,16H2,(H,25,30)/t19-,20-,22-/m1/s1" ; chebi:inchikey "HKZRXKNGDCOEMV-KCZVDYSFSA-N" ; chebi:mass "421.493" ; chebi:monoisotopicmass "421.21139" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3)CO)NC(=O)CC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13688" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22+/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-NJNPRVFISA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13689" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19-,20-/m0/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-UFYCRDLUSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13690" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O7" ; chebi:inchi "InChI=1S/C26H40N4O7/c1-18-13-30(25(32)15-29-8-10-36-11-9-29)19(2)16-37-22-12-20(27-24(31)17-34-4)6-7-21(22)26(33)28(3)14-23(18)35-5/h6-7,12,18-19,23H,8-11,13-17H2,1-5H3,(H,27,31)/t18-,19-,23-/m1/s1" ; chebi:inchikey "SLSZBTPAWGPDLP-DNVFCKCGSA-N" ; chebi:mass "520.619" ; chebi:monoisotopicmass "520.28970" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13691" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[2-(4-morpholinyl)-1-oxoethyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10234 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28754 ; owl:deprecated true . obo:CHEBI_102340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19-,21-/m1/s1" ; chebi:inchikey "PZXWXIAUASIELU-YFVAEKQCSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13692" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22+,25-/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-SJHHWCTQSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13693" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17-,18+/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-XDNAFOTISA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13694" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18-,19-,22+/m0/s1" ; chebi:inchikey "QICYWJCDSALLPT-ZVVDCOBXSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13695" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31+,32+/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-UADZGEIMSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13696" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13696" . obo:CHEBI_102345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-RZDWVWPCSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13697" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_102346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C29H37FN4O3" ; chebi:inchi "InChI=1S/C29H37FN4O3/c1-21(17-34(22(2)20-35)29(36)32-26-14-12-25(30)13-15-26)28(37-4)19-33(3)18-23-8-10-24(11-9-23)27-7-5-6-16-31-27/h5-16,21-22,28,35H,17-20H2,1-4H3,(H,32,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "XSSRKRLNCLGOQF-VPYPWEPUSA-N" ; chebi:mass "508.629" ; chebi:monoisotopicmass "508.28497" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC=C(C=C2)C3=CC=CC=N3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13698" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea" . obo:CHEBI_102347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17-,24-/m1/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-HOZJOUCCSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13699" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_102348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21-/m1/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-SLYNCCJLSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13700" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_102349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16-,19-/m1/s1" ; chebi:inchikey "APPCZAALLCDYNG-GPMSIDNRSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13701" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_10235 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28347 ; owl:deprecated true . obo:CHEBI_102350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23-/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-IEGUWTFLSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13702" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-34-23-5-3-2-4-18(23)19-8-9-21-25-24(27(33)28-10-12-35-13-11-28)20(16-31)22(15-30(21)26(19)32)29(25)14-17-6-7-17/h2-5,8-9,17,20,22,24-25,31H,6-7,10-16H2,1H3/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "ZZGFZYXZJHIJMZ-MMTHZHQFSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5CC5)CN3C2=O)CO)C(=O)N6CCOCC6" ; oboInOwl:hasDbXref "LINCS:LSM-13703" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13703" . obo:CHEBI_102352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-18-15-30(20(3)31)19(2)17-35-24-12-11-22(28-26(32)13-21-9-7-6-8-10-21)14-23(24)27(33)29(4)16-25(18)34-5/h6-12,14,18-19,25H,13,15-17H2,1-5H3,(H,28,32)/t18-,19+,25+/m0/s1" ; chebi:inchikey "BBRWISDMGXAAHU-OSWQYVSFSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13704" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O6S" ; chebi:inchi "InChI=1S/C21H25N3O6S/c1-31(27,28)24-13-5-6-18-16(8-13)17-9-15(29-19(12-25)21(17)30-18)10-20(26)23-11-14-4-2-3-7-22-14/h2-8,15,17,19,21,24-25H,9-12H2,1H3,(H,23,26)/t15-,17+,19-,21-/m1/s1" ; chebi:inchikey "JZVGIVMTJSWJDH-UKHYVGRKSA-N" ; chebi:mass "447.507" ; chebi:monoisotopicmass "447.14641" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-13705" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_102354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24-/m0/s1" ; chebi:inchikey "CMDXATVLXHEPLP-FJIJXJHWSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13706" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-LPWJVIDDSA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13707" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27+/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-VCKVZLKQSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13708" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13708" . obo:CHEBI_102357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H27N3O6" ; chebi:inchi "InChI=1S/C23H27N3O6/c1-30-13-22(29)26-15-4-5-19-17(7-15)18-8-16(31-20(12-27)23(18)32-19)9-21(28)25-11-14-3-2-6-24-10-14/h2-7,10,16,18,20,23,27H,8-9,11-13H2,1H3,(H,25,28)(H,26,29)/t16-,18+,20+,23-/m0/s1" ; chebi:inchikey "HQZJCXNXJWTAKA-MVIJMRCYSA-N" ; chebi:mass "441.478" ; chebi:monoisotopicmass "441.18999" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13709" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H34F3N3O4" ; chebi:inchi "InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28+/m1/s1" ; chebi:inchikey "AAENOGRDWGDRJO-CJYOKPGZSA-N" ; chebi:mass "569.616" ; chebi:monoisotopicmass "569.25014" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13710" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13710" . obo:CHEBI_102359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18+,21+/m0/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-WAOWUJCRSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13711" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_10236 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18217 ; owl:deprecated true . obo:CHEBI_102360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H39N3O8S" ; chebi:inchi "InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23-,24+/m1/s1" ; chebi:inchikey "KOAYSPOFMXWQDS-MHHVOYGZSA-N" ; chebi:mass "541.660" ; chebi:monoisotopicmass "541.24579" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13712" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-28(2)27(33)24-20(16-31)22-15-30-21(13-12-19(26(30)32)17-8-4-5-9-17)25(24)29(22)14-18-10-6-7-11-23(18)34-3/h6-8,10-13,20,22,24-25,31H,4-5,9,14-16H2,1-3H3/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "CAYQEZITEZQLOQ-KAKDDGLXSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]1N2CC5=CC=CC=C5OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13713" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13713" . obo:CHEBI_102362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22-,24+,26+/m0/s1" ; chebi:inchikey "SGAJFFANPLXWDT-TUTLFNSSSA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13714" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C34H36N4O3S" ; chebi:inchi "InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-20-29(33(40)37-17-13-23-7-4-5-8-27(23)21-37)36-32(31(28)30(38)14-18-39)26-10-6-9-25(19-26)24-11-15-35-16-12-24/h4-12,15-16,19-20,30,39H,13-14,17-18,21-22H2,1-3H3/t30-,42-/m1/s1" ; chebi:inchikey "HAAGBLBLWADVDZ-SBEKKQRLSA-N" ; chebi:mass "580.742" ; chebi:monoisotopicmass "580.25081" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-13715" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone" . obo:CHEBI_102364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "CQZVRHUHRGDROH-RZQQEMMASA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13716" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17-,19+,21+/m1/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-DOSUHQCWSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13717" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H19FN4O2" ; chebi:inchi "InChI=1S/C23H19FN4O2/c24-18-7-9-19(10-8-18)27-23(30)28-20(12-25)22(21(28)14-29)16-5-3-15(4-6-16)17-2-1-11-26-13-17/h1-11,13,20-22,29H,14H2,(H,27,30)/t20-,21+,22+/m0/s1" ; chebi:inchikey "OSGUSCSJMGIYLG-BHDDXSALSA-N" ; chebi:mass "402.422" ; chebi:monoisotopicmass "402.14920" ; chebi:smiles "C1=CC(=CN=C1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@H]3C#N)C(=O)NC4=CC=C(C=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13718" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_102367 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_5706 ; owl:deprecated true . obo:CHEBI_102368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76879 ; obo:IAO_0000115 "An EC 2.6.1.* (transaminase) inhibitor that interferes with the action of (R)-3-amino-2-methylpropionate--pyruvate transaminase (EC 2.6.1.40)." ; oboInOwl:hasDbXref "Wikipedia:(R)-3-amino-2-methylpropionate-pyruvate_transaminase" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropanoate:pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropanoate:pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropionate transaminase inhibitor" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropionate transaminase inhibitors" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropionate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "(R)-3-amino-2-methylpropionate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate--pyruvate transaminase inhibitor" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate--pyruvate transaminase inhibitors" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate-pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate-pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate-pyruvate transaminase inhibitor" ; oboInOwl:hasRelatedSynonym "D-3-aminoisobutyrate-pyruvate transaminase inhibitors" ; oboInOwl:hasRelatedSynonym "D-AIBAT inhibitor" ; oboInOwl:hasRelatedSynonym "D-AIBAT inhibitors" ; oboInOwl:hasRelatedSynonym "D-beta-aminoisobutyrate:pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "D-beta-aminoisobutyrate:pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitors" ; oboInOwl:hasRelatedSynonym "EC 2.6.1.40 inhibitor" ; oboInOwl:hasRelatedSynonym "EC 2.6.1.40 inhibitors" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate--pyruvate transaminase inhibitor" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate--pyruvate transaminase inhibitors" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate-pyruvate aminotransferase inhibitor" ; oboInOwl:hasRelatedSynonym "beta-aminoisobutyrate-pyruvate aminotransferase inhibitors" ; oboInOwl:id "CHEBI:102368" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor" . _:b1557 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropanoate:pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1558 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropanoate:pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1559 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropionate transaminase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1560 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropionate transaminase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1561 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropionate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1562 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-3-amino-2-methylpropionate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1563 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1564 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1565 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate--pyruvate transaminase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1566 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate--pyruvate transaminase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1567 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate-pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1568 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate-pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1569 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate-pyruvate transaminase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1570 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-3-aminoisobutyrate-pyruvate transaminase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1571 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-AIBAT inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1572 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-AIBAT inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1573 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-beta-aminoisobutyrate:pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1574 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "D-beta-aminoisobutyrate:pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1575 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1576 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 2.6.1.40 inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1577 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "EC 2.6.1.40 inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1578 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate--pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1579 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate--pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1580 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate--pyruvate transaminase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1581 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate--pyruvate transaminase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . _:b1582 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate-pyruvate aminotransferase inhibitor" ; oboInOwl:hasDbXref "ChEBI" . _:b1583 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-aminoisobutyrate-pyruvate aminotransferase inhibitors" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H31FN2O6S" ; chebi:inchi "InChI=1S/C26H31FN2O6S/c27-16-6-9-20(10-7-16)36(32,33)29-18-8-11-23-21(12-18)22-13-19(34-24(15-30)26(22)35-23)14-25(31)28-17-4-2-1-3-5-17/h6-12,17,19,22,24,26,29-30H,1-5,13-15H2,(H,28,31)/t19-,22+,24+,26-/m1/s1" ; chebi:inchikey "SGAJFFANPLXWDT-WUHHYYHUSA-N" ; chebi:mass "518.600" ; chebi:monoisotopicmass "518.18869" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13720" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_10237 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17785 ; owl:deprecated true . obo:CHEBI_102370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C31H36N2O5" ; chebi:inchi "InChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-25(26)20-38-29(21)18-32(3)17-23-9-8-11-24(15-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22+,29+/m1/s1" ; chebi:inchikey "QELHGDMSGADVOM-BXOOBUKZSA-N" ; chebi:mass "516.629" ; chebi:monoisotopicmass "516.26242" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13721" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13721" . obo:CHEBI_102371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O7" ; chebi:inchi "InChI=1S/C22H24N2O7/c1-29-14-5-2-12(3-6-14)23-22(28)24-13-4-7-18-16(8-13)17-9-15(10-20(26)27)30-19(11-25)21(17)31-18/h2-8,15,17,19,21,25H,9-11H2,1H3,(H,26,27)(H2,23,24,28)/t15-,17-,19+,21+/m1/s1" ; chebi:inchikey "WGYNXZDTDZWEBG-DOSUHQCWSA-N" ; chebi:mass "428.436" ; chebi:monoisotopicmass "428.15835" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13722" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18+,20-/m1/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-IMFGXOCKSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13723" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18-,22+,24+/m1/s1" ; chebi:inchikey "XORJDKZTELKQNH-SDZNXMPUSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13724" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H33N3O5" ; chebi:inchi "InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19+,21-,23-/m1/s1" ; chebi:inchikey "SOARVSRWKWCBLL-GUBFDYSESA-N" ; chebi:mass "443.537" ; chebi:monoisotopicmass "443.24202" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13725" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H43N3O6" ; chebi:inchi "InChI=1S/C32H43N3O6/c1-21-18-35(31(37)23-10-7-6-8-11-23)22(2)20-41-28-17-25(33-30(36)24-12-9-13-26(16-24)39-4)14-15-27(28)32(38)34(3)19-29(21)40-5/h9,12-17,21-23,29H,6-8,10-11,18-20H2,1-5H3,(H,33,36)/t21-,22-,29-/m1/s1" ; chebi:inchikey "LYKGDNBLKAPSTE-IEOSBIPESA-N" ; chebi:mass "565.702" ; chebi:monoisotopicmass "565.31519" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13726" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzamide" . obo:CHEBI_102376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C19H31N3O5" ; chebi:inchi "InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16-,17-/m1/s1" ; chebi:inchikey "RNIDAHWWXILMTD-BRWVUGGUSA-N" ; chebi:mass "381.467" ; chebi:monoisotopicmass "381.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13727" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_102377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C28H33N3O4" ; chebi:inchi "InChI=1S/C28H33N3O4/c1-17(19-9-5-3-6-10-19)29-27(34)25-22(16-32)24-15-30-23(26(25)31(24)18(2)33)14-13-21(28(30)35)20-11-7-4-8-12-20/h3,5-6,9-11,13-14,17,22,24-26,32H,4,7-8,12,15-16H2,1-2H3,(H,29,34)/t17-,22-,24-,25+,26+/m1/s1" ; chebi:inchikey "GHJDVSDORYSUSR-DUVDYXJLSA-N" ; chebi:mass "475.580" ; chebi:monoisotopicmass "475.24711" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3C(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13728" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13728" . obo:CHEBI_102378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21-,22+/m0/s1" ; chebi:inchikey "XYLRKRISJMFHFX-OAVQTBGQSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13729" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13729" . obo:CHEBI_102379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22+/m1/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-VVBPWWLESA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13730" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2R,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_10238 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28348 ; owl:deprecated true . obo:CHEBI_102380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O5" ; chebi:inchi "InChI=1S/C27H33N3O5/c1-35-19-10-5-7-17(13-19)14-28-26(33)24-20(16-31)22-15-29-21(11-6-12-23(29)32)25(24)30(22)27(34)18-8-3-2-4-9-18/h5-7,10-13,18,20,22,24-25,31H,2-4,8-9,14-16H2,1H3,(H,28,33)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "PNHDRDYFFADBCF-KAKDDGLXSA-N" ; chebi:mass "479.569" ; chebi:monoisotopicmass "479.24202" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5CCCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13731" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13731" . obo:CHEBI_102381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18-/m0/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KSZLIROESA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13732" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10-,11+,12-/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-WISYIIOYSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13733" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_102383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25-,27-/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-MBHFTIIHSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13734" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_102384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-GLDPYIMESA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13735" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H30FN5O3" ; chebi:inchi "InChI=1S/C26H30FN5O3/c1-3-31-23-20(21(14-33)24(31)25(34)28-11-10-18-12-30(2)15-29-18)13-32-22(23)9-8-19(26(32)35)16-4-6-17(27)7-5-16/h4-9,12,15,20-21,23-24,33H,3,10-11,13-14H2,1-2H3,(H,28,34)/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "QCFMKJOQGAVCFD-ZQRMPTRQSA-N" ; chebi:mass "479.547" ; chebi:monoisotopicmass "479.23327" ; chebi:smiles "CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13736" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-YAJHFMINSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13737" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H23FN2O6S" ; chebi:inchi "InChI=1S/C25H23FN2O6S/c1-14-3-2-4-17(11-14)35(33,34)28-21-12-27-20(23(28)22(25(31)32)19(21)13-29)10-9-18(24(27)30)15-5-7-16(26)8-6-15/h2-11,19,21-23,29H,12-13H2,1H3,(H,31,32)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "MTJUDQAFHZBLAH-LGKPFJOYSA-N" ; chebi:mass "498.525" ; chebi:monoisotopicmass "498.12609" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)F)[C@H]2[C@H]([C@@H]3CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13738" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13738" . obo:CHEBI_102388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19+,24+/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-IMWIBFENSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13739" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H33N3O7S" ; chebi:inchi "InChI=1S/C21H33N3O7S/c1-14-10-24(20(25)13-29-4)15(2)12-31-18-9-16(22-32(6,27)28)7-8-17(18)21(26)23(3)11-19(14)30-5/h7-9,14-15,19,22H,10-13H2,1-6H3/t14-,15+,19+/m0/s1" ; chebi:inchikey "ALCDIEWMKTXBKO-QMTMVMCOSA-N" ; chebi:mass "471.570" ; chebi:monoisotopicmass "471.20392" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13740" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19+/m1/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-AYBZRNKSSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13741" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18+,22+/m1/s1" ; chebi:inchikey "REUNTGUOEHKOBZ-FGSXEWAUSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)CN(C)C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13742" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-[2-(dimethylamino)-1-oxoethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-YDZRNGNQSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13743" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-RZQQEMMASA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13744" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O4" ; chebi:inchi "InChI=1S/C19H19FN2O4/c1-26-19(25)16-12(9-23)14-8-22-15(17(16)21-14)7-6-11(18(22)24)10-4-2-3-5-13(10)20/h2-7,12,14,16-17,21,23H,8-9H2,1H3/t12-,14-,16+,17+/m0/s1" ; chebi:inchikey "NXPHSKBMFHKARG-GUDXXQAFSA-N" ; chebi:mass "358.364" ; chebi:monoisotopicmass "358.13289" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]1N2)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13745" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13745" . obo:CHEBI_102395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21+,23-,25-/m1/s1" ; chebi:inchikey "CCIDSNZUNACLPU-RIPRBREISA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13746" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18+,19-/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-YDZRNGNQSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-13747" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25+,26+/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-BKJQLSFMSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13748" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13748" . obo:CHEBI_102398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18+,22-,24-/m1/s1" ; chebi:inchikey "RREKHFLFIWGNNG-KLYAEHFASA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-13749" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_102399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-3-4-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-7-23-8-6-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m1/s1" ; chebi:inchikey "ISIKKEOWKJPDMG-ZLLBNUPZSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13750" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_1024 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15849 ; owl:deprecated true . obo:CHEBI_10240 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16046 ; owl:deprecated true . obo:CHEBI_102400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H20N2O" ; chebi:inchi "InChI=1S/C17H20N2O/c18-10-15-17(16(11-20)19-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h4,6-9,15-17,19-20H,1-3,5,11H2/t15-,16-,17-/m1/s1" ; chebi:inchikey "SIGXZWYEWAPHMA-BRWVUGGUSA-N" ; chebi:mass "268.354" ; chebi:monoisotopicmass "268.15756" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13751" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19-,21-/m0/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-LRQRDZAKSA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13752" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34F3N3O6S" ; chebi:inchi "InChI=1S/C25H34F3N3O6S/c1-31-20-9-8-18(12-23(32)29-13-16-5-3-2-4-6-16)37-22(20)14-36-21-10-7-17(11-19(21)24(31)33)30-38(34,35)15-25(26,27)28/h7,10-11,16,18,20,22,30H,2-6,8-9,12-15H2,1H3,(H,29,32)/t18-,20+,22-/m1/s1" ; chebi:inchikey "POTYIVUJTYUDPC-KAGYGMCKSA-N" ; chebi:mass "561.616" ; chebi:monoisotopicmass "561.21204" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)CC(F)(F)F)CC(=O)NCC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13753" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-(2,2,2-trifluoroethylsulfonylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21+,24-,26-,28+/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-MNMPLEIHSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13754" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21-/m0/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-XPIZARPCSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13755" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3R,6R)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-27-17-7-3-4-8-19(17)29(25,26)21-16-10-9-15(28-18(16)14-23)13-20(24)22-11-5-2-6-12-22/h3-4,7-10,15-16,18,21,23H,2,5-6,11-14H2,1H3/t15-,16-,18-/m0/s1" ; chebi:inchikey "LFPPDYCBOCBVHR-BQFCYCMXSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13756" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide" . obo:CHEBI_102406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24-/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-ROKPMTFOSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13757" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17+,24-/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-XVTZWQNCSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13758" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H31N3O5" ; chebi:inchi "InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27-,30-/m1/s1" ; chebi:inchikey "ZUSAVEKAEPAMKG-LIOQXTORSA-N" ; chebi:mass "513.585" ; chebi:monoisotopicmass "513.22637" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13759" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H26N2O4" ; chebi:inchi "InChI=1S/C21H26N2O4/c24-13-19-18(22-21(26)15-5-6-15)8-7-17(27-19)11-20(25)23-10-9-14-3-1-2-4-16(14)12-23/h1-4,7-8,15,17-19,24H,5-6,9-13H2,(H,22,26)/t17-,18+,19-/m1/s1" ; chebi:inchikey "QCIRQJIZWMFOON-CEXWTWQISA-N" ; chebi:mass "370.443" ; chebi:monoisotopicmass "370.18926" ; chebi:smiles "C1CC1C(=O)N[C@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-13760" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_10241 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22385 ; owl:deprecated true . obo:CHEBI_102410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H22N2O" ; chebi:inchi "InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18+,19-/m1/s1" ; chebi:inchikey "ANDSQWRABKLSGR-CEXWTWQISA-N" ; chebi:mass "294.391" ; chebi:monoisotopicmass "294.17321" ; chebi:smiles "C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13761" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-YWWGLXIYSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13762" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H32FN5O5" ; chebi:inchi "InChI=1S/C30H32FN5O5/c1-36-25-8-7-21(17-28(37)33-15-12-19-10-13-32-14-11-19)41-27(25)18-40-26-9-6-20(16-22(26)29(36)38)34-30(39)35-24-5-3-2-4-23(24)31/h2-6,9-11,13-14,16,21,25,27H,7-8,12,15,17-18H2,1H3,(H,33,37)(H2,34,35,39)/t21-,25+,27-/m0/s1" ; chebi:inchikey "KLEFMXRWIUTPPC-BBVXACFBSA-N" ; chebi:mass "561.605" ; chebi:monoisotopicmass "561.23875" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4F)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13763" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m0/s1" ; chebi:inchikey "JYNGQINEBKOLSY-IXFSTUDKSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13764" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N5O5S" ; chebi:inchi "InChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16+,19+/m1/s1" ; chebi:inchikey "DUWNSMSZAPHBFZ-GJYPPUQNSA-N" ; chebi:mass "535.582" ; chebi:monoisotopicmass "535.20762" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13765" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22+,27-,29-/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-ZNGJXQNXSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13766" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H27N5O5" ; chebi:inchi "InChI=1S/C25H27N5O5/c1-27-23(31)12-18-8-9-20-22(35-18)14-34-21-10-7-17(11-19(21)24(32)30(20)2)29-25(33)28-16-5-3-15(13-26)4-6-16/h3-7,10-11,18,20,22H,8-9,12,14H2,1-2H3,(H,27,31)(H2,28,29,33)/t18-,20+,22-/m1/s1" ; chebi:inchikey "WEQMSGPPXPWAGN-KAGYGMCKSA-N" ; chebi:mass "477.513" ; chebi:monoisotopicmass "477.20122" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13767" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(4-cyanoanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-methylacetamide" . obo:CHEBI_102417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "BZAPUCLBFKATKI-XLNZFTOWSA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13768" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13768" . obo:CHEBI_102418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21+,23-/m1/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-CTZMOBNVSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13769" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16-,20-/m0/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-FTRWYGJKSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13770" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_10242 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17925 ; owl:deprecated true . obo:CHEBI_102420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30ClFN2O5S" ; chebi:inchi "InChI=1S/C23H30ClFN2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22+/m0/s1" ; chebi:inchikey "FWFBMTYWKZBKQZ-PNLZDCPESA-N" ; chebi:mass "501.013" ; chebi:monoisotopicmass "500.15480" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13771" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H34FN3O4" ; chebi:inchi "InChI=1S/C30H34FN3O4/c1-20-16-34(21(2)18-35)29(36)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-38-28(20)17-33(3)30(37)32-24-14-12-23(31)13-15-24/h4-15,20-21,28,35H,16-19H2,1-3H3,(H,32,37)/t20-,21+,28+/m1/s1" ; chebi:inchikey "CYZHERASHFZITE-GGJMMHKRSA-N" ; chebi:mass "519.608" ; chebi:monoisotopicmass "519.25333" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13772" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13772" . obo:CHEBI_102422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m0/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-NAYZPBBASA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13773" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_102423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22-,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-BCLDRZJSSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13774" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13774" . obo:CHEBI_102424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23-/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-IXFSTUDKSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13775" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H37FN4O3S" ; chebi:inchi "InChI=1S/C31H37FN4O3S/c1-31(2,3)40(39)36-20-23-19-26(30(38)35-15-13-34(4)14-16-35)33-29(28(23)27(36)12-17-37)22-9-7-8-21(18-22)24-10-5-6-11-25(24)32/h5-11,18-19,27,37H,12-17,20H2,1-4H3/t27-,40-/m1/s1" ; chebi:inchikey "SXBHHBYKOFATQA-KSTXALNGSA-N" ; chebi:mass "564.716" ; chebi:monoisotopicmass "564.25704" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13776" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28-/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-WSHBGFIESA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13777" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22-/m1/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-ZMPRRUGASA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13778" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5S" ; chebi:inchi "InChI=1S/C23H33N5O5S/c1-16-11-28(12-18-9-24-15-25-10-18)17(2)14-33-21-7-6-19(26-34(5,30)31)8-20(21)23(29)27(3)13-22(16)32-4/h6-10,15-17,22,26H,11-14H2,1-5H3/t16-,17+,22+/m1/s1" ; chebi:inchikey "VPVAZUBGKWFEKV-JLHGSKIFSA-N" ; chebi:mass "491.606" ; chebi:monoisotopicmass "491.22024" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13779" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_102429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23+/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-STSQHVNTSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13780" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_10243 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18148 ; owl:deprecated true . obo:CHEBI_102430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22+,25-/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-SQQWRJQYSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13781" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-YESZJQIVSA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13782" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26+/m1/s1" ; chebi:inchikey "OMNPDJXLWRDGEE-YPCDYVTLSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13783" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13783" . obo:CHEBI_102433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20+,24+,26-/m0/s1" ; chebi:inchikey "WXTNJIBEBHTDAA-BFAWKISMSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13784" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H31N3O5" ; chebi:inchi "InChI=1S/C30H31N3O5/c34-18-27-30-25(15-23(37-27)16-29(36)33-12-9-20-3-1-2-4-21(20)17-33)24-14-22(5-6-26(24)38-30)32-28(35)13-19-7-10-31-11-8-19/h1-8,10-11,14,23,25,27,30,34H,9,12-13,15-18H2,(H,32,35)/t23-,25+,27+,30-/m0/s1" ; chebi:inchikey "ZUSAVEKAEPAMKG-MFYQUPDPSA-N" ; chebi:mass "513.585" ; chebi:monoisotopicmass "513.22637" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-13785" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H35N3O5S2" ; chebi:inchi "InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "XFTZCOPLMXQWPM-NOMHHCBYSA-N" ; chebi:mass "581.749" ; chebi:monoisotopicmass "581.20181" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13786" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13786" . obo:CHEBI_102436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H27ClN2O4" ; chebi:inchi "InChI=1S/C20H27ClN2O4/c21-15-5-3-14(4-6-15)11-22-19(25)10-16-7-8-17(18(12-24)27-16)23-20(26)9-13-1-2-13/h3-6,13,16-18,24H,1-2,7-12H2,(H,22,25)(H,23,26)/t16-,17-,18-/m0/s1" ; chebi:inchikey "QFAVGRCFIOJHOR-BZSNNMDCSA-N" ; chebi:mass "394.893" ; chebi:monoisotopicmass "394.16594" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NCC2=CC=C(C=C2)Cl)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13787" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-2-cyclopropylacetamide" . obo:CHEBI_102437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18-,22-/m0/s1" ; chebi:inchikey "CZAUCXDPQANXEN-SPEDKVCISA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13788" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_102438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21-,23-/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-KJXAQDMKSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13789" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_102439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H37N3O6" ; chebi:inchi "InChI=1S/C29H37N3O6/c1-18-13-32(14-20-5-6-20)19(2)16-36-24-10-8-22(12-23(24)29(34)31(3)15-27(18)35-4)30-28(33)21-7-9-25-26(11-21)38-17-37-25/h7-12,18-20,27H,5-6,13-17H2,1-4H3,(H,30,33)/t18-,19+,27+/m0/s1" ; chebi:inchikey "KBKSWHGSXCIXAL-DSNGTPCMSA-N" ; chebi:mass "523.622" ; chebi:monoisotopicmass "523.26824" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13790" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_10244 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27818 ; owl:deprecated true . obo:CHEBI_102440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H31F3N4O4" ; chebi:inchi "InChI=1S/C25H31F3N4O4/c1-15-12-29-16(2)14-36-21-10-9-19(11-20(21)23(33)32(3)13-22(15)35-4)31-24(34)30-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,29H,12-14H2,1-4H3,(H2,30,31,34)/t15-,16-,22+/m0/s1" ; chebi:inchikey "GXRZKRPKTHFHBM-PONJGIIJSA-N" ; chebi:mass "508.534" ; chebi:monoisotopicmass "508.22974" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13791" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24+,31-/m0/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-JLELKNTQSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13792" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22-,24+/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-ODGPQVTHSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-13793" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26+,28+/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-DANFDKMISA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13794" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23+,25-/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-PWWKTKHKSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-13795" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_102445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H32FN3O4" ; chebi:inchi "InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20-/m1/s1" ; chebi:inchikey "ABKGFAHRWOKBSI-LSTHTHJFSA-N" ; chebi:mass "421.506" ; chebi:monoisotopicmass "421.23768" ; chebi:smiles "C1CCC(CC1)C(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13796" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide" . obo:CHEBI_102446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15-,20+/m0/s1" ; chebi:inchikey "ORFROPTWDCALKP-AUSJPIAWSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13797" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22-,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-RUSSTMTCSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13798" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13798" . obo:CHEBI_102448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H25FN4O3" ; chebi:inchi "InChI=1S/C25H25FN4O3/c1-29-22-19(20(14-31)23(29)24(32)28-12-17-7-2-3-10-27-17)13-30-21(22)9-8-18(25(30)33)15-5-4-6-16(26)11-15/h2-11,19-20,22-23,31H,12-14H2,1H3,(H,28,32)/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "QUSVXALKSRSRLD-YXPKMTABSA-N" ; chebi:mass "448.490" ; chebi:monoisotopicmass "448.19107" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]([C@@H]1C(=O)NCC5=CC=CC=N5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13799" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21-,23+,26+/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-UAHYIAQRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13800" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_10245 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17665 ; owl:deprecated true . obo:CHEBI_102450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H44N4O3S" ; chebi:inchi "InChI=1S/C33H44N4O3S/c1-33(2,3)41(40)37-23-27-22-28(32(39)36-18-16-35(4)17-19-36)34-31(30(27)29(37)15-20-38)26-14-8-13-25(21-26)12-7-11-24-9-5-6-10-24/h8,13-14,21-22,24,29,38H,5-6,9-11,15-20,23H2,1-4H3/t29-,41?/m1/s1" ; chebi:inchikey "LIWWQJPEXSZFEM-BWCOESTKSA-N" ; chebi:mass "576.795" ; chebi:monoisotopicmass "576.31341" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-13801" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_102451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H38FN3O6S" ; chebi:inchi "InChI=1S/C31H38FN3O6S/c1-21-17-35(18-23-9-6-7-12-28(23)32)22(2)20-41-29-15-24(13-14-27(29)31(36)34(3)19-30(21)40-5)33-42(37,38)26-11-8-10-25(16-26)39-4/h6-16,21-22,30,33H,17-20H2,1-5H3/t21-,22-,30+/m0/s1" ; chebi:inchikey "WUHLCXCEWBJVDE-MWXNICTNSA-N" ; chebi:mass "599.716" ; chebi:monoisotopicmass "599.24654" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-13802" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide" . obo:CHEBI_102452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25FN2O4" ; chebi:inchi "InChI=1S/C18H25FN2O4/c1-2-17(23)21-15-8-7-13(25-16(15)11-22)9-18(24)20-10-12-5-3-4-6-14(12)19/h3-6,13,15-16,22H,2,7-11H2,1H3,(H,20,24)(H,21,23)/t13-,15-,16+/m1/s1" ; chebi:inchikey "BYMJCSXXYVSKMN-BMFZPTHFSA-N" ; chebi:mass "352.401" ; chebi:monoisotopicmass "352.17984" ; chebi:smiles "CCC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F" ; oboInOwl:hasDbXref "LINCS:LSM-13803" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide" . obo:CHEBI_102453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15+,19-/m1/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-ZRGWGRIASA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13804" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_102454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H28N6O4" ; chebi:inchi "InChI=1S/C26H28N6O4/c1-2-10-29-24(34)22-19(14-33)21-13-31-20(9-8-18(25(31)35)16-11-27-15-28-12-16)23(22)32(21)26(36)30-17-6-4-3-5-7-17/h3-9,11-12,15,19,21-23,33H,2,10,13-14H2,1H3,(H,29,34)(H,30,36)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "NNSFVWHQEZSLFM-LGKPFJOYSA-N" ; chebi:mass "488.539" ; chebi:monoisotopicmass "488.21720" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13805" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13805" . obo:CHEBI_102455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-NMVJMZGASA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13806" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_102456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClF2N2O4S" ; chebi:inchi "InChI=1S/C23H31ClF2N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23-/m1/s1" ; chebi:inchikey "UIWWHFNWICLZIF-SAHWJRBASA-N" ; chebi:mass "505.020" ; chebi:monoisotopicmass "504.16611" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13807" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_102457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24-,26-/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-CVJWPJSTSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13808" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H35N3O6S" ; chebi:inchi "InChI=1S/C28H35N3O6S/c1-18-14-31(19(2)16-32)28(33)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-30(5)38(34,35)27-20(3)29-37-21(27)4/h6-13,18-19,26,32H,14-17H2,1-5H3/t18-,19+,26-/m1/s1" ; chebi:inchikey "UYIXVJNNAXNMSD-UYXZNNOOSA-N" ; chebi:mass "541.661" ; chebi:monoisotopicmass "541.22466" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13809" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13809" . obo:CHEBI_102459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-16(17-7-3-2-4-8-17)25-23(29)14-19-10-11-20(21(15-27)30-19)26-22(28)13-18-9-5-6-12-24-18/h2-12,16,19-21,27H,13-15H2,1H3,(H,25,29)(H,26,28)/t16-,19+,20+,21+/m1/s1" ; chebi:inchikey "GWEQQAXOIQTOQH-SEVLPDGMSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13810" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10246 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_29042 ; owl:deprecated true . obo:CHEBI_102460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C26H32N2O5" ; chebi:inchi "InChI=1S/C26H32N2O5/c1-32-22-10-6-5-9-17(22)18-11-12-21-23-19(14-27(21)25(18)30)20(15-29)24(26(31)33-2)28(23)13-16-7-3-4-8-16/h5-6,9-12,16,19-20,23-24,29H,3-4,7-8,13-15H2,1-2H3/t19-,20-,23+,24-/m0/s1" ; chebi:inchikey "FQNLDYTYHLYOSL-JVODISISSA-N" ; chebi:mass "452.544" ; chebi:monoisotopicmass "452.23112" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5CCCC5)C(=O)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13811" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24-/m1/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-JXALWOEJSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13812" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c27-11-16-15-10-25-17(2-1-3-18(25)28)19(15)26(9-14-6-22-12-23-7-14)20(16)21(29)24-8-13-4-5-13/h1-3,6-7,12-13,15-16,19-20,27H,4-5,8-11H2,(H,24,29)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "RTAKVDRHOCSOCY-FEHORTKBSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2CC5=CN=CN=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13813" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1-(5-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O6" ; chebi:inchi "InChI=1S/C19H32N2O6/c1-2-20-18(23)9-15-3-4-16-17(27-15)12-26-11-14(22)10-21(16)19(24)13-5-7-25-8-6-13/h13-17,22H,2-12H2,1H3,(H,20,23)/t14-,15-,16-,17+/m1/s1" ; chebi:inchikey "MWTQFHHONBVRQP-VQHPVUNQSA-N" ; chebi:mass "384.468" ; chebi:monoisotopicmass "384.22604" ; chebi:smiles "CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3CCOCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13814" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_102464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-MKXGPGLRSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13815" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102465 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_3756 ; owl:deprecated true . obo:CHEBI_102466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18241 ; rdfs:subClassOf obo:CHEBI_21731 ; rdfs:subClassOf obo:CHEBI_48208 ; rdfs:subClassOf obo:CHEBI_48435 . _:b1584 rdf:type owl:Restriction . obo:CHEBI_102466 rdfs:subClassOf _:b1584 . _:b1584 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1585 rdf:type owl:Restriction . obo:CHEBI_102466 rdfs:subClassOf _:b1585 . _:b1585 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_77751 . obo:CHEBI_102466 obo:IAO_0000115 "A 2'-deoxyribonucleoside 5'-monophosphate that is the 8-aza analogue of 2'-deoxyadenosine 5'-monophosphate." ; chebi:charge "0" ; chebi:formula "C9H13N6O6P" ; chebi:inchi "InChI=1S/C9H13N6O6P/c10-8-7-9(12-3-11-8)15(14-13-7)6-1-4(16)5(21-6)2-20-22(17,18)19/h3-6,16H,1-2H2,(H2,10,11,12)(H2,17,18,19)/t4-,5+,6+/m0/s1" ; chebi:inchikey "DTCLUNGDOJEDAI-KVQBGUIXSA-N" ; chebi:mass "332.210" ; chebi:monoisotopicmass "332.06342" ; chebi:smiles "NC1=NC=NC2=C1N=NN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "8-aza-2'-deoxyadenosine 5'-phosphate" ; oboInOwl:hasRelatedSynonym "8-aza-2'-deoxyadenosine monophosphate" ; oboInOwl:hasRelatedSynonym "8-aza-dAMP" ; oboInOwl:id "CHEBI:102466" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "8-aza-2'-deoxyadenosine 5'-monophosphate" . _:b1586 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102466 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1587 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102466 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1588 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102466 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8-aza-2'-deoxyadenosine 5'-phosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1589 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102466 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8-aza-2'-deoxyadenosine monophosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1590 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102466 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8-aza-dAMP" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34FN3O4" ; chebi:inchi "InChI=1S/C26H34FN3O4/c1-17-13-30(14-20-8-6-7-9-23(20)27)18(2)16-34-24-12-21(28-19(3)31)10-11-22(24)26(32)29(4)15-25(17)33-5/h6-12,17-18,25H,13-16H2,1-5H3,(H,28,31)/t17-,18+,25-/m1/s1" ; chebi:inchikey "BEBQDKOSRNKXPA-FUMQJTLXSA-N" ; chebi:mass "471.565" ; chebi:monoisotopicmass "471.25333" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13817" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H33N3O6" ; chebi:inchi "InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25-,27-,29+/m1/s1" ; chebi:inchikey "FOSRSIPYUZSGIW-ACEYUQJJSA-N" ; chebi:mass "531.601" ; chebi:monoisotopicmass "531.23694" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13818" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18+,23+/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-STSQHVNTSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13819" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_10247 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27554 ; owl:deprecated true . obo:CHEBI_102470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17-/m0/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-AHIWAGSCSA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13820" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-/m0/s1" ; chebi:inchikey "ADKYEMYUARXISC-YIOBJHAYSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13821" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H33N3O5" ; chebi:inchi "InChI=1S/C18H33N3O5/c1-25-10-9-19-17(23)11-14-7-8-15(16(12-22)26-14)21-18(24)20-13-5-3-2-4-6-13/h13-16,22H,2-12H2,1H3,(H,19,23)(H2,20,21,24)/t14-,15-,16-/m0/s1" ; chebi:inchikey "LJTZBZLXVQJQJX-JYJNAYRXSA-N" ; chebi:mass "371.472" ; chebi:monoisotopicmass "371.24202" ; chebi:smiles "COCCNC(=O)C[C@@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13822" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22+,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-HLIRBWCUSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13823" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13823" . obo:CHEBI_102474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23+,31+/m1/s1" ; chebi:inchikey "NTGYADANNGAILP-UDKTZTBJSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13824" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13824" . obo:CHEBI_102475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17-,23-/m1/s1" ; chebi:inchikey "QPCRGZWITIZHEP-SEPYTNNBSA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13825" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C24H32N2O5S" ; chebi:inchi "InChI=1S/C24H32N2O5S/c1-17-13-26(18(2)15-27)24(28)22-12-8-7-11-21(22)20-10-6-5-9-19(20)16-31-23(17)14-25(3)32(4,29)30/h5-12,17-18,23,27H,13-16H2,1-4H3/t17-,18+,23+/m1/s1" ; chebi:inchikey "UZINPKAPIFGTKL-STSQHVNTSA-N" ; chebi:mass "460.588" ; chebi:monoisotopicmass "460.20319" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13826" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13826" . obo:CHEBI_102477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17+,19+,20-/m1/s1" ; chebi:inchikey "WNHZFTQVONQUSH-DJABAAGCSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C" ; oboInOwl:hasDbXref "LINCS:LSM-13827" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13827" . obo:CHEBI_102478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34FN3O5" ; chebi:inchi "InChI=1S/C27H34FN3O5/c1-6-25(32)29-21-11-12-22-23(13-21)36-16-18(3)31(26(33)19-7-9-20(28)10-8-19)14-17(2)24(35-5)15-30(4)27(22)34/h7-13,17-18,24H,6,14-16H2,1-5H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "DLQPGZNWCDDUSB-RHGYRFJNSA-N" ; chebi:mass "499.575" ; chebi:monoisotopicmass "499.24825" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13828" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H31N5O5S" ; chebi:inchi "InChI=1S/C21H31N5O5S/c1-14-9-22-15(2)12-31-18-8-16(24-32(28,29)20-11-25(3)13-23-20)6-7-17(18)21(27)26(4)10-19(14)30-5/h6-8,11,13-15,19,22,24H,9-10,12H2,1-5H3/t14-,15-,19+/m0/s1" ; chebi:inchikey "QXYUWGLBJNPRKS-YZVOILCLSA-N" ; chebi:mass "465.568" ; chebi:monoisotopicmass "465.20459" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13829" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10248 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18341 ; oboInOwl:hasDbXref "KEGG:C05870" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "alpha-D-Glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ; oboInOwl:id "CHEBI:10248" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-D-glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol" . _:b1591 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10248 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-D-Glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21-,27+/m1/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-GNMOFYLKSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13830" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20+,24+/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-WWEVIYMKSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13831" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24-/m0/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-GLDPYIMESA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13832" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C24H25N3O5S" ; chebi:inchi "InChI=1S/C24H25N3O5S/c1-31-15-5-3-4-14(10-15)16-6-7-19-21-17(11-26(19)23(16)29)18(13-28)22(24(30)32-2)27(21)12-20-25-8-9-33-20/h3-10,17-18,21-22,28H,11-13H2,1-2H3/t17-,18-,21+,22-/m0/s1" ; chebi:inchikey "VROAXWWRWFQWDA-HXHBTQRASA-N" ; chebi:mass "467.539" ; chebi:monoisotopicmass "467.15149" ; chebi:smiles "COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=NC=CS5)C(=O)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13833" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; rdfs:subClassOf obo:CHEBI_55373 ; rdfs:subClassOf obo:CHEBI_87228 . _:b1592 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b1592 . _:b1592 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_36047 . _:b1593 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b1593 . _:b1593 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1594 rdf:type owl:Restriction . obo:CHEBI_102484 rdfs:subClassOf _:b1594 . _:b1594 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102484 obo:IAO_0000115 "A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms." ; chebi:charge "0" ; chebi:formula "C11H13N3O3S" ; chebi:inchi "InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3" ; chebi:inchikey "NHUHCSRWZMLRLA-UHFFFAOYSA-N" ; chebi:mass "267.30400" ; chebi:monoisotopicmass "267.06776" ; chebi:smiles "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C" ; oboInOwl:hasAlternativeId "CHEBI:9343" ; oboInOwl:hasDbXref "Beilstein:263871" ; oboInOwl:hasDbXref "CAS:127-69-5" ; oboInOwl:hasDbXref "DrugBank:DB00263" ; oboInOwl:hasDbXref "Drug_Central:2529" ; oboInOwl:hasDbXref "Gmelin:864477" ; oboInOwl:hasDbXref "KEGG:C07318" ; oboInOwl:hasDbXref "KEGG:D00450" ; oboInOwl:hasDbXref "LINCS:LSM-3120" ; oboInOwl:hasDbXref "PMID:1861917" ; oboInOwl:hasDbXref "PMID:4960234" ; oboInOwl:hasDbXref "PMID:7356572" ; oboInOwl:hasDbXref "Patent:US2430094" ; oboInOwl:hasDbXref "Wikipedia:Sulfisoxazole" ; oboInOwl:hasExactSynonym "4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3,4-Dimethyl-5-sulfanilamidoisoxazole" ; oboInOwl:hasRelatedSynonym "3,4-Dimethyl-5-sulfonamidoisoxazole" ; oboInOwl:hasRelatedSynonym "3,4-Dimethyl-5-sulphanilamidoisoxazole" ; oboInOwl:hasRelatedSynonym "3,4-Dimethyl-5-sulphonamidoisoxazole" ; oboInOwl:hasRelatedSynonym "3,4-Dimethylisoxazole-5-sulfanilamide" ; oboInOwl:hasRelatedSynonym "3,4-Dimethylisoxazole-5-sulphanilamide" ; oboInOwl:hasRelatedSynonym "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide" ; oboInOwl:hasRelatedSynonym "4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide" ; oboInOwl:hasRelatedSynonym "5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole" ; oboInOwl:hasRelatedSynonym "5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole" ; oboInOwl:hasRelatedSynonym "5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole" ; oboInOwl:hasRelatedSynonym "5-Sulfanilamido-3,4-dimethylisoxazole" ; oboInOwl:hasRelatedSynonym "5-Sulphanilamido-3,4-dimethyl-isoxazole" ; 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owl:annotatedTarget "5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1615 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Sulfanilamido-3,4-dimethylisoxazole" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1616 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Sulphanilamido-3,4-dimethyl-isoxazole" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1617 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1618 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1619 rdf:type owl:Axiom ; 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owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfisonazole" ; oboInOwl:hasDbXref "DrugBank" . _:b1625 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfisoxasole" ; oboInOwl:hasDbXref "DrugBank" . _:b1626 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfisoxazol" ; oboInOwl:hasDbXref "DrugBank" . _:b1627 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfofurazole" ; oboInOwl:hasDbXref "DrugBank" . _:b1628 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphadimethylisoxazole" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1629 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphafurazol" ; oboInOwl:hasDbXref "DrugBank" . _:b1630 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphafurazole" ; oboInOwl:hasDbXref "DrugBank" . _:b1631 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphaisoxazole" ; oboInOwl:hasDbXref "DrugBank" . _:b1632 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphisoxazol" ; oboInOwl:hasDbXref "DrugBank" . _:b1633 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphofurazole" ; oboInOwl:hasDbXref "DrugBank" . _:b1634 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfafurazole" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b1635 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102484 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfafurazolum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_102485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_19255 ; rdfs:subClassOf obo:CHEBI_33859 ; rdfs:subClassOf obo:CHEBI_60783 . _:b1636 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b1636 . _:b1636 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1637 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b1637 . _:b1637 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_49103 . _:b1638 rdf:type owl:Restriction . obo:CHEBI_102485 rdfs:subClassOf _:b1638 . _:b1638 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17568 . obo:CHEBI_102485 obo:IAO_0000115 "A nucleoside analogue that is 2'-deoxyuridine in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group." ; chebi:charge "0" ; chebi:formula "C10H12N2O7" ; chebi:inchi "InChI=1S/C10H12N2O7/c13-3-6-5(14)1-7(19-6)12-2-4(9(16)17)8(15)11-10(12)18/h2,5-7,13-14H,1,3H2,(H,16,17)(H,11,15,18)/t5-,6+,7+/m0/s1" ; chebi:inchikey "GAGYTXTVUMXAOC-RRKCRQDMSA-N" ; chebi:mass "272.212" ; chebi:monoisotopicmass "272.06445" ; chebi:smiles "[C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](CO)[C@H](C1)O" ; oboInOwl:hasDbXref "CAS:14599-46-3" ; oboInOwl:hasDbXref "HMDB:HMDB0060774" ; oboInOwl:hasDbXref "PMID:110152" ; oboInOwl:hasDbXref "PMID:14565347" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasDbXref "PMID:28691" ; oboInOwl:hasDbXref "PMID:6048518" ; oboInOwl:hasDbXref "PMID:6116773" ; oboInOwl:hasDbXref "Reaxys:433778" ; oboInOwl:hasExactSynonym "5-carboxy-2'-deoxyuridine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2'-Deoxy-5-carboxyuridine" ; oboInOwl:id "CHEBI:102485" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-carboxy-2'-deoxyuridine" . _:b1639 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:14599-46-3" ; rdfs:label "ChemIDplus" . _:b1640 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:110152" ; rdfs:label "Europe PMC" . _:b1641 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14565347" ; rdfs:label "Europe PMC" . _:b1642 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1643 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:28691" ; rdfs:label "Europe PMC" . _:b1644 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6048518" ; rdfs:label "Europe PMC" . _:b1645 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6116773" ; rdfs:label "Europe PMC" . _:b1646 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:433778" ; rdfs:label "Reaxys" . _:b1647 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-carboxy-2'-deoxyuridine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1648 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102485 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2'-Deoxy-5-carboxyuridine" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27+/m0/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-VBANMALSSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13835" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31F3N4O5S2" ; chebi:inchi "InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "CQZVRHUHRGDROH-QINHECLXSA-N" ; chebi:mass "564.644" ; chebi:monoisotopicmass "564.16880" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13836" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37FN4O4" ; chebi:inchi "InChI=1S/C28H37FN4O4/c1-18-14-33(15-20-9-10-20)19(2)17-37-25-13-21(30-28(35)31-24-8-6-5-7-23(24)29)11-12-22(25)27(34)32(3)16-26(18)36-4/h5-8,11-13,18-20,26H,9-10,14-17H2,1-4H3,(H2,30,31,35)/t18-,19-,26-/m1/s1" ; chebi:inchikey "SXLNUQFFJOVPKX-LJKQEARRSA-N" ; chebi:mass "512.617" ; chebi:monoisotopicmass "512.27988" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13837" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_102489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H26F3N3O6" ; chebi:inchi "InChI=1S/C24H26F3N3O6/c1-34-15-5-2-13(3-6-15)29-23(33)30-14-4-7-19-17(8-14)18-9-16(35-20(11-31)22(18)36-19)10-21(32)28-12-24(25,26)27/h2-8,16,18,20,22,31H,9-12H2,1H3,(H,28,32)(H2,29,30,33)/t16-,18-,20+,22+/m1/s1" ; chebi:inchikey "SPGVKSWBRQENOP-MDRHQERFSA-N" ; chebi:mass "509.476" ; chebi:monoisotopicmass "509.17737" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13838" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide" . obo:CHEBI_10249 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16295 ; owl:deprecated true . obo:CHEBI_102490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H35N3O5" ; chebi:inchi "InChI=1S/C31H35N3O5/c1-34(2)18-30(37)33-23-12-13-27-25(14-23)26-15-24(38-28(19-35)31(26)39-27)16-29(36)32-17-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-14,24,26,28,31,35H,15-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28+,31-/m1/s1" ; chebi:inchikey "BRDKARYWUSDFKE-LJJPEMRYSA-N" ; chebi:mass "529.628" ; chebi:monoisotopicmass "529.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13839" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-QLIIJSOBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13840" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H30N2O6S2" ; chebi:inchi "InChI=1S/C22H30N2O6S2/c1-16-7-3-5-9-21(16)31(26,27)23-14-13-18-11-12-19(20(15-25)30-18)24-32(28,29)22-10-6-4-8-17(22)2/h3-10,18-20,23-25H,11-15H2,1-2H3/t18-,19+,20-/m0/s1" ; chebi:inchikey "NMMAJMJUDCVZMW-ZCNNSNEGSA-N" ; chebi:mass "482.616" ; chebi:monoisotopicmass "482.15453" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C" ; oboInOwl:hasDbXref "LINCS:LSM-13841" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide" . obo:CHEBI_102493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-17(18-6-3-2-4-7-18)30-26(33)14-21-13-23-22-12-20(31-28(34)19-8-5-11-29-15-19)9-10-24(22)36-27(23)25(16-32)35-21/h2-12,15,17,21,23,25,27,32H,13-14,16H2,1H3,(H,30,33)(H,31,34)/t17-,21+,23-,25-,27+/m0/s1" ; chebi:inchikey "SNGIXDWGPLKZOT-AKGJGXJDSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13842" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H30N2O5S" ; chebi:inchi "InChI=1S/C27H30N2O5S/c1-27(2,3)35(33)29-16-20-15-22(26(31)32)28-25(24(20)23(29)11-12-30)19-9-5-7-17(13-19)18-8-6-10-21(14-18)34-4/h5-10,13-15,23,30H,11-12,16H2,1-4H3,(H,31,32)/t23-,35?/m0/s1" ; chebi:inchikey "SQSYVIJPLUBFQG-MYJVBWMHSA-N" ; chebi:mass "494.605" ; chebi:monoisotopicmass "494.18754" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13843" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid" . obo:CHEBI_102495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32ClFN2O4S" ; chebi:inchi "InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23+/m0/s1" ; chebi:inchikey "IVUAVXPBXQRVFC-IUKKYPGJSA-N" ; chebi:mass "487.029" ; chebi:monoisotopicmass "486.17553" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13844" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide" . obo:CHEBI_102496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22+,24+/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-UCFCWBNQSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13845" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24F2N2O6S" ; chebi:inchi "InChI=1S/C22H24F2N2O6S/c1-33(29,30)26-14-3-5-19-16(7-14)17-8-15(31-20(11-27)22(17)32-19)9-21(28)25-10-12-6-13(23)2-4-18(12)24/h2-7,15,17,20,22,26-27H,8-11H2,1H3,(H,25,28)/t15-,17-,20-,22+/m1/s1" ; chebi:inchikey "IELDZLYSVNRCSJ-HHRWBCNNSA-N" ; chebi:mass "482.499" ; chebi:monoisotopicmass "482.13231" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13846" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c29-15-19-21-14-27-20(6-3-7-22(27)30)24(28(21)12-16-8-9-16)23(19)25(31)26-11-10-17-4-1-2-5-18(17)13-26/h1-7,16,19,21,23-24,29H,8-15H2/t19-,21-,23+,24+/m0/s1" ; chebi:inchikey "MQRDGSKRUJYVOI-NAMDQGSHSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "C1CC1CN2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-13847" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13847" . obo:CHEBI_102499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34FN3O6S" ; chebi:inchi "InChI=1S/C27H34FN3O6S/c28-18-4-7-21(8-5-18)38(34,35)30-19-6-9-24-22(14-19)23-15-20(36-25(17-32)27(23)37-24)16-26(33)29-10-13-31-11-2-1-3-12-31/h4-9,14,20,23,25,27,30,32H,1-3,10-13,15-17H2,(H,29,33)/t20-,23+,25-,27-/m0/s1" ; chebi:inchikey "PHBUKTREHITDBU-OGMXRKNYSA-N" ; chebi:mass "547.641" ; chebi:monoisotopicmass "547.21524" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13848" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_1025 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16333 ; owl:deprecated true . obo:CHEBI_102500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21-,28-/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-CZBREUMFSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13849" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H29FN2O4" ; chebi:inchi "InChI=1S/C25H29FN2O4/c1-32-25(31)22-18(14-29)21-13-28-20(23(22)27(21)12-15-6-2-3-7-15)11-10-17(24(28)30)16-8-4-5-9-19(16)26/h4-5,8-11,15,18,21-23,29H,2-3,6-7,12-14H2,1H3/t18-,21-,22+,23+/m0/s1" ; chebi:inchikey "PYNGVIMXOMYUPN-XSEFMFLKSA-N" ; chebi:mass "440.508" ; chebi:monoisotopicmass "440.21114" ; chebi:smiles "COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]1N2CC5CCCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13850" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13850" . obo:CHEBI_102502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25F2N3O5" ; chebi:inchi "InChI=1S/C24H25F2N3O5/c1-27-22(30)11-17-4-5-19-21(34-17)12-33-20-6-3-16(10-18(20)24(32)29(19)2)28-23(31)13-7-14(25)9-15(26)8-13/h3,6-10,17,19,21H,4-5,11-12H2,1-2H3,(H,27,30)(H,28,31)/t17-,19+,21+/m1/s1" ; chebi:inchikey "RQAOUBOGQGVTCU-LMNJBCLMSA-N" ; chebi:mass "473.470" ; chebi:monoisotopicmass "473.17623" ; chebi:smiles "CNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-13851" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide" . obo:CHEBI_102503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28-/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-PWQSGXPHSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-13852" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27-/m1/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-MRCUYLHHSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13853" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)14-15-33)21-9-7-8-20(16-21)19-10-12-23(36-6)13-11-19/h7-13,16-17,25,33H,14-15,18H2,1-6H3/t25-,37-/m0/s1" ; chebi:inchikey "QYSQYMZBXYWZNF-RSUXDYMJSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13854" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29-/m1/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-RLPNJSHFSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13855" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13855" . obo:CHEBI_102507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20-,22-,24+/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-QSOCRCLWSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13856" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13-,14-/m1/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MGPQQGTHSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-13857" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m0/s1" ; chebi:inchikey "UCQARJGLVBPITC-HBMCJLEFSA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13858" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10251 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27516 ; owl:deprecated true . obo:CHEBI_102510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m0/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-HOOSLVGPSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13859" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18+,26+/m1/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-ZENTWMBTSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13860" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-BQJUDKOJSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13861" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H29N3O6S" ; chebi:inchi "InChI=1S/C24H29N3O6S/c1-33-20-6-4-3-5-15(20)16-9-10-19-21-17(12-26(19)24(16)30)18(13-28)22(27(21)34(2,31)32)23(29)25-11-14-7-8-14/h3-6,9-10,14,17-18,21-22,28H,7-8,11-13H2,1-2H3,(H,25,29)/t17-,18-,21+,22-/m1/s1" ; chebi:inchikey "WJZKQLYLFQXOJV-RPHTVSPISA-N" ; chebi:mass "487.571" ; chebi:monoisotopicmass "487.17771" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4S(=O)(=O)C)C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13862" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-TYPXCFOJSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; 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owl:someValuesFrom obo:CHEBI_35441 . _:b1650 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b1650 . _:b1650 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50502 . _:b1651 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b1651 . _:b1651 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_88188 . _:b1652 rdf:type owl:Restriction . obo:CHEBI_102516 rdfs:subClassOf _:b1652 . _:b1652 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_45373 . obo:CHEBI_102516 obo:IAO_0000115 "A sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position." ; chebi:charge "0" ; chebi:formula "C11H12N4O3S" ; chebi:inchi "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" ; chebi:inchikey "VLYWMPOKSSWJAL-UHFFFAOYSA-N" ; chebi:mass "280.304" ; chebi:monoisotopicmass "280.06301" ; chebi:smiles "C1=CC(=CC=C1N)S(NC2=NN=C(C=C2)OC)(=O)=O" ; 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owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Solfametossipiridazina" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1685 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulfametoxipiridazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1686 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sulphamethoxypyridazine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1687 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamethoxipyridazine" ; oboInOwl:hasDbXref "ChEBI" . _:b1688 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamethoxypyridazine" ; oboInOwl:hasDbXref "KEGG_DRUG" ; oboInOwl:hasSynonymType chebi2:INN . _:b1689 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfamethoxypyridazinum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1690 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102516 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "sulfametoxipiridazina" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . obo:CHEBI_102517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33859 ; rdfs:subClassOf obo:CHEBI_36995 ; rdfs:subClassOf obo:CHEBI_48208 . _:b1691 rdf:type owl:Restriction . obo:CHEBI_102517 rdfs:subClassOf _:b1691 . _:b1691 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1692 rdf:type owl:Restriction . obo:CHEBI_102517 rdfs:subClassOf _:b1692 . _:b1692 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17622 . obo:CHEBI_102517 obo:IAO_0000115 "A nucleoside monophosphate analogue that is 2'-deoxyuridine-5'-monophosphate in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group." ; chebi:charge "0" ; chebi:formula "C10H13N2O10P" ; chebi:inchi "InChI=1S/C10H13N2O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)12-2-4(9(15)16)8(14)11-10(12)17/h2,5-7,13H,1,3H2,(H,15,16)(H,11,14,17)(H2,18,19,20)/t5-,6+,7+/m0/s1" ; chebi:inchikey "YJPIHSPFORSHEC-RRKCRQDMSA-N" ; chebi:mass "352.192" ; chebi:monoisotopicmass "352.03078" ; chebi:smiles "[C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](COP(O)(=O)O)[C@H](C1)O" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "5-carboxy-2'-deoxyuridine 5'-(dihydrogen phosphate)" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-carboxy-2'-deoxyuridine 5'-phosphate" ; oboInOwl:hasRelatedSynonym "5-carboxy-dUMP" ; oboInOwl:id "CHEBI:102517" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5-carboxy-2'-deoxyuridine 5'-monophosphate" . _:b1693 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102517 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1694 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102517 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-carboxy-2'-deoxyuridine 5'-(dihydrogen phosphate)" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1695 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102517 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-carboxy-2'-deoxyuridine 5'-phosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1696 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102517 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-carboxy-dUMP" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H35N3O7S" ; chebi:inchi "InChI=1S/C31H35N3O7S/c1-20-8-12-24(13-9-20)42(37,38)33-22-10-15-28-25(16-22)31(36)34(2)26-14-11-23(41-29(26)19-40-28)17-30(35)32-18-21-6-4-5-7-27(21)39-3/h4-10,12-13,15-16,23,26,29,33H,11,14,17-19H2,1-3H3,(H,32,35)/t23-,26-,29+/m1/s1" ; chebi:inchikey "GYVRMNXHBKDJFJ-FIYSCABWSA-N" ; chebi:mass "593.693" ; chebi:monoisotopicmass "593.21957" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13866" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-2-11-24-21(27)25-18(12-23)20(19(25)13-26)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-20,26H,2,11,13H2,1H3,(H,24,27)/t18-,19-,20+/m1/s1" ; chebi:inchikey "NYKFFZXKZNVNOG-AQNXPRMDSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CCCNC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13867" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide" . obo:CHEBI_10252 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27602 ; owl:deprecated true . obo:CHEBI_102520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H38FN3O4" ; chebi:inchi "InChI=1S/C28H38FN3O4/c1-6-7-27(33)30-23-12-13-24-25(14-23)36-18-20(3)32(16-21-8-10-22(29)11-9-21)15-19(2)26(35-5)17-31(4)28(24)34/h8-14,19-20,26H,6-7,15-18H2,1-5H3,(H,30,33)/t19-,20+,26-/m1/s1" ; chebi:inchikey "KMKGAVOVEHQLPH-BVFVYWQFSA-N" ; chebi:mass "499.618" ; chebi:monoisotopicmass "499.28463" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13868" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-YCYVKTGYSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13869" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O6" ; chebi:inchi "InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27+/m1/s1" ; chebi:inchikey "MRBZRZGKCPBOJB-UDZXTKBFSA-N" ; chebi:mass "600.107" ; chebi:monoisotopicmass "599.25106" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13870" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27-/m0/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-LNBJVWSJSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13871" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22693 . _:b1697 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b1697 . _:b1697 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35480 . _:b1698 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b1698 . _:b1698 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35717 . _:b1699 rdf:type owl:Restriction . obo:CHEBI_102524 rdfs:subClassOf _:b1699 . _:b1699 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16294 . obo:CHEBI_102524 obo:IAO_0000115 "A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache." ; chebi:charge "0" ; chebi:formula "C11H16N2O3" ; chebi:inchi "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" ; chebi:inchikey "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" ; chebi:mass "224.25630" ; chebi:monoisotopicmass "224.11609" ; chebi:smiles "CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O" ; oboInOwl:hasDbXref "Beilstein:202119" ; oboInOwl:hasDbXref "CAS:77-26-9" ; oboInOwl:hasDbXref "DrugBank:DB00241" ; oboInOwl:hasDbXref "Drug_Central:441" ; oboInOwl:hasDbXref "HMDB:HMDB0014386" ; oboInOwl:hasDbXref "KEGG:D03182" ; oboInOwl:hasDbXref "LINCS:LSM-5793" ; oboInOwl:hasDbXref "PMID:23682958" ; oboInOwl:hasDbXref "PMID:24400754" ; oboInOwl:hasDbXref "PMID:6864729" ; oboInOwl:hasDbXref "Reaxys:202119" ; oboInOwl:hasDbXref "Wikipedia:Butalbital" ; oboInOwl:hasExactSynonym "5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" ; oboInOwl:hasRelatedSynonym "5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione" ; oboInOwl:hasRelatedSynonym "5-allyl-5-(2'-methyl-n-propyl) barbituric acid" ; oboInOwl:hasRelatedSynonym "5-allyl-5-(2-methylpropyl)barbituric acid" ; oboInOwl:hasRelatedSynonym "5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione" ; oboInOwl:hasRelatedSynonym "5-allyl-5-isobutylbarbituric acid" ; oboInOwl:hasRelatedSynonym "5-isobutyl-5-allylbarbituric acid" ; oboInOwl:hasRelatedSynonym "allylbarbital" ; oboInOwl:hasRelatedSynonym "allylbarbitone" ; oboInOwl:hasRelatedSynonym "allylbarbituric acid" ; oboInOwl:hasRelatedSynonym "butalbarbital" ; oboInOwl:hasRelatedSynonym "butalbital" ; oboInOwl:hasRelatedSynonym "butalbitalum" ; oboInOwl:hasRelatedSynonym "iso-butylallylbarbituric acid" ; oboInOwl:hasRelatedSynonym "itobarbital" ; oboInOwl:hasRelatedSynonym "tetrallobarbital" ; oboInOwl:id "CHEBI:102524" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "butalbital" . _:b1700 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:202119" ; rdfs:label "Beilstein" . _:b1701 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:77-26-9" ; rdfs:label "ChemIDplus" . _:b1702 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:77-26-9" ; rdfs:label "NIST Chemistry WebBook" . _:b1703 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:441" ; rdfs:label "DrugCentral" . _:b1704 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23682958" ; rdfs:label "Europe PMC" . _:b1705 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24400754" ; rdfs:label "Europe PMC" . _:b1706 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6864729" ; rdfs:label "ChEMBL" . _:b1707 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:202119" ; rdfs:label "Reaxys" . _:b1708 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1709 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" ; oboInOwl:hasDbXref "ChEBI" . _:b1710 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-Allyl-5-isobutyl-pyrimidine-2,4,6-trione" ; oboInOwl:hasDbXref "ChEMBL" . _:b1711 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-allyl-5-(2'-methyl-n-propyl) barbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1712 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-allyl-5-(2-methylpropyl)barbituric acid" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1713 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1714 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-allyl-5-isobutylbarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1715 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5-isobutyl-5-allylbarbituric acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1716 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "allylbarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1717 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "allylbarbitone" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1718 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "allylbarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1719 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "butalbarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1720 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "butalbital" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1721 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "butalbitalum" ; oboInOwl:hasDbXref "ChemIDplus" ; oboInOwl:hasSynonymType chebi2:INN . _:b1722 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "iso-butylallylbarbituric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1723 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "itobarbital" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1724 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102524 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "tetrallobarbital" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20706 ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_67142 . _:b1725 rdf:type owl:Restriction . obo:CHEBI_102525 rdfs:subClassOf _:b1725 . _:b1725 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1726 rdf:type owl:Restriction . obo:CHEBI_102525 rdfs:subClassOf _:b1726 . _:b1726 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16708 . obo:CHEBI_102525 obo:IAO_0000115 "A nucleobase analogue that is adenine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C7H8N6O" ; chebi:inchi "InChI=1S/C7H8N6O/c8-4(14)1-9-6-5-7(11-2-10-5)13-3-12-6/h2-3H,1H2,(H2,8,14)(H2,9,10,11,12,13)" ; chebi:inchikey "WIFHSKZDPZUSLN-UHFFFAOYSA-N" ; chebi:mass "192.178" ; chebi:monoisotopicmass "192.07596" ; chebi:smiles "C=12C(=NC=NC1NCC(=O)N)NC=N2" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "N(2)-1H-purin-6-ylglycinamide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2-(9H-purin-6-ylamino)acetamide" ; oboInOwl:id "CHEBI:102525" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyladenine" . _:b1727 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102525 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1728 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102525 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N(2)-1H-purin-6-ylglycinamide" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1729 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102525 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-(9H-purin-6-ylamino)acetamide" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H29N5O5" ; chebi:inchi "InChI=1S/C23H29N5O5/c29-18-12-28(23(31)27-16-4-2-1-3-5-16)20-7-6-19(33-21(20)14-32-13-18)10-22(30)25-11-17-8-9-24-15-26-17/h1-5,8-9,15,18-21,29H,6-7,10-14H2,(H,25,30)(H,27,31)/t18-,19-,20+,21-/m0/s1" ; chebi:inchikey "DCLGJFWUMIZFMI-BURNTYAHSA-N" ; chebi:mass "455.508" ; chebi:monoisotopicmass "455.21687" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13873" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33+/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-IHIRBFILSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13874" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13874" . obo:CHEBI_102528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18+/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-SQNIBIBYSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-13875" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H31ClN2O6S" ; chebi:inchi "InChI=1S/C22H31ClN2O6S/c23-16-5-4-6-19(11-16)32(28,29)25-13-17(26)14-30-15-21-20(25)8-7-18(31-21)12-22(27)24-9-2-1-3-10-24/h4-6,11,17-18,20-21,26H,1-3,7-10,12-15H2/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "WUWHFUUUQPRUMO-JYAXBFRTSA-N" ; chebi:mass "487.011" ; chebi:monoisotopicmass "486.15914" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13876" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_10253 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_52773 ; owl:deprecated true . obo:CHEBI_102530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-ODZKNYGOSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13877" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N4O5S" ; chebi:inchi "InChI=1S/C24H30N4O5S/c1-32-21-9-5-8-19(14-21)23-15-28(27-25-23)13-12-20-10-11-22(24(16-29)33-20)26-34(30,31)17-18-6-3-2-4-7-18/h2-9,14-15,20,22,24,26,29H,10-13,16-17H2,1H3/t20-,22-,24-/m0/s1" ; chebi:inchikey "LQIYJTVMCFCXBS-SSPYTLHUSA-N" ; chebi:mass "486.586" ; chebi:monoisotopicmass "486.19369" ; chebi:smiles "COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13878" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide" . obo:CHEBI_102532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24-,31+/m1/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-GQIGMWPISA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13879" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H36N2O6S" ; chebi:inchi "InChI=1S/C22H36N2O6S/c1-17(21(29-4)15-23(3)22(26)19-10-12-30-13-11-19)14-24(18(2)16-25)31(27,28)20-8-6-5-7-9-20/h5-9,17-19,21,25H,10-16H2,1-4H3/t17-,18-,21+/m0/s1" ; chebi:inchikey "SLHJHGLJXJFOQY-BBTUJRGHSA-N" ; chebi:mass "456.598" ; chebi:monoisotopicmass "456.22941" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13880" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H27NO7" ; chebi:inchi "InChI=1S/C21H27NO7/c1-26-19(24)10-14-9-16-15-8-13(22-21(25)12-4-6-27-7-5-12)2-3-17(15)29-20(16)18(11-23)28-14/h2-3,8,12,14,16,18,20,23H,4-7,9-11H2,1H3,(H,22,25)/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "CYYYAXPAVULRAL-BIJSTVTOSA-N" ; chebi:mass "405.442" ; chebi:monoisotopicmass "405.17875" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13881" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "BFDAKIJRIQBPOO-BPHNFWMXSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CN2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-13882" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13882" . obo:CHEBI_102536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-6-25(31)28-21-7-8-23-22(13-21)26(32)29(4)16-24(33-5)18(2)14-30(19(3)17-34-23)15-20-9-11-27-12-10-20/h7-13,18-19,24H,6,14-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m1/s1" ; chebi:inchikey "AICRRUIGWBNRBB-KHCICDEESA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13883" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_102537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21-,22+/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-YSFYHYPLSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13884" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H27NO8S" ; chebi:inchi "InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14-,15-,17+/m0/s1" ; chebi:inchikey "WAKYUTRBASZCGN-QBYUYEEZSA-N" ; chebi:mass "429.486" ; chebi:monoisotopicmass "429.14574" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-13885" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_102539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-13-10-24-14(2)12-32-19-9-17(25-23(30)26-21-15(3)27-33-16(21)4)7-8-18(19)22(29)28(5)11-20(13)31-6/h7-9,13-14,20,24H,10-12H2,1-6H3,(H2,25,26,30)/t13-,14-,20+/m0/s1" ; chebi:inchikey "RYHWAKGNXXOPFN-PJSUUKDQSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13886" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10254 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28459 ; owl:deprecated true . obo:CHEBI_102540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21+,22-/m1/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-CLAROIROSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13887" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21+,23+/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-JZWVFAODSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13888" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19N3O2" ; chebi:inchi "InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18-,19+/m0/s1" ; chebi:inchikey "SONVGTXFTWWDQR-GBESFXJTSA-N" ; chebi:mass "333.385" ; chebi:monoisotopicmass "333.14773" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CN=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13889" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13889" . obo:CHEBI_102543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25+/m0/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-WZOHSFFVSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13890" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13890" . obo:CHEBI_102544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23+,25+,27-/m0/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-UUNMANHLSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13891" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20+,21+,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-GKADJBRLSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13892" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13892" . obo:CHEBI_102546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H34N4O6S" ; chebi:inchi "InChI=1S/C30H34N4O6S/c1-20-3-7-24(8-4-20)41(37,38)33-22-5-10-27-25(17-22)30(36)34(2)26-9-6-23(40-28(26)19-39-27)18-29(35)32-16-13-21-11-14-31-15-12-21/h3-5,7-8,10-12,14-15,17,23,26,28,33H,6,9,13,16,18-19H2,1-2H3,(H,32,35)/t23-,26-,28+/m0/s1" ; chebi:inchikey "KPGMTKVYFCJESC-PAUTXSKSSA-N" ; chebi:mass "578.681" ; chebi:monoisotopicmass "578.21991" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13893" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c28-18-5-3-17(4-6-18)20-7-8-23-24-21(13-32(23)27(20)36)22(14-34)25(33(24)12-16-1-2-16)26(35)30-11-19-9-10-29-15-31-19/h3-10,15-16,21-22,24-25,34H,1-2,11-14H2,(H,30,35)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "URDKMROJZUNSLX-HFOXQMJASA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "C1CC1CN2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]([C@H]2C(=O)NCC6=NC=NC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13894" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26+,28-/m1/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-RXYIMMQSSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13895" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C33H34N4O5S" ; chebi:inchi "InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m0/s1" ; chebi:inchikey "OLAATLBQFXJPIK-AMDSOUHQSA-N" ; chebi:mass "598.714" ; chebi:monoisotopicmass "598.22499" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-13896" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10255 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16326 ; owl:deprecated true . obo:CHEBI_102550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-MFEFFIJZSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13897" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35ClN4O5" ; chebi:inchi "InChI=1S/C27H35ClN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-12-11-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-19(28)8-10-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24+/m0/s1" ; chebi:inchikey "FPIGUEAYUNMTQH-HOOSLVGPSA-N" ; chebi:mass "531.045" ; chebi:monoisotopicmass "530.22960" ; chebi:smiles "CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "XKLJDQDBSRSGED-OJJQZRKESA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13899" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_102553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21+/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-LDQXTDLNSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13900" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_102554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21+,25-,27-/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-OSHLHTJISA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasDbXref "LINCS:LSM-13901" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H31N3O5" ; chebi:inchi "InChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18-,19-/m0/s1" ; chebi:inchikey "LPRUTVLBIHKZIS-FHWLQOOXSA-N" ; chebi:mass "405.489" ; chebi:monoisotopicmass "405.22637" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-13902" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea" . obo:CHEBI_102556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c1-36-16-23(33)31-22-14-30-21(11-10-19(27(30)35)17-7-3-2-4-8-17)25(31)24(20(22)15-32)26(34)29-13-18-9-5-6-12-28-18/h2-12,20,22,24-25,32H,13-16H2,1H3,(H,29,34)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "YNLXOCAZEKAELA-MMTHZHQFSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-13903" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13903" . obo:CHEBI_102557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29FN4O3" ; chebi:inchi "InChI=1S/C28H29FN4O3/c29-22-6-2-1-5-19(22)20-9-10-23-26-25(27(35)31-13-17-7-8-17)21(16-34)24(15-33(23)28(20)36)32(26)14-18-4-3-11-30-12-18/h1-6,9-12,17,21,24-26,34H,7-8,13-16H2,(H,31,35)/t21-,24-,25+,26+/m0/s1" ; chebi:inchikey "PGXATXJTQODNDY-DTGGKOQTSA-N" ; chebi:mass "488.554" ; chebi:monoisotopicmass "488.22237" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]2N3CC6=CN=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13904" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13904" . obo:CHEBI_102558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-CADBVGFASA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-13905" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H30N4O4S" ; chebi:inchi "InChI=1S/C19H30N4O4S/c24-13-16-15(21-17(25)6-10-23-8-2-1-3-9-23)5-4-14(27-16)12-18(26)22-19-20-7-11-28-19/h7,11,14-16,24H,1-6,8-10,12-13H2,(H,21,25)(H,20,22,26)/t14-,15-,16+/m1/s1" ; chebi:inchikey "IZCYNDJXNVTGPG-OAGGEKHMSA-N" ; chebi:mass "410.533" ; chebi:monoisotopicmass "410.19878" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13906" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H28N2O6S" ; chebi:inchi "InChI=1S/C19H28N2O6S/c1-28(24,25)21-11-15(22)12-26-13-18-17(21)8-7-16(27-18)9-19(23)20-10-14-5-3-2-4-6-14/h2-6,15-18,22H,7-13H2,1H3,(H,20,23)/t15-,16+,17-,18+/m0/s1" ; chebi:inchikey "CRYMYAPOZVNFQJ-XWTMOSNGSA-N" ; chebi:mass "412.502" ; chebi:monoisotopicmass "412.16681" ; chebi:smiles "CS(=O)(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC=CC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13907" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide" . obo:CHEBI_102561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19-,20+/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-MVJPYGJCSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13908" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,22-,25-/m1/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-ZIGQSTSDSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13909" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C17H15FN2O3S" ; chebi:inchi "InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17+/m0/s1" ; chebi:inchikey "LIAUQGYQVCFFMZ-YESZJQIVSA-N" ; chebi:mass "346.378" ; chebi:monoisotopicmass "346.07874" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13910" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H31N3O5S" ; chebi:inchi "InChI=1S/C26H31N3O5S/c1-28-20-9-8-18(15-24(30)29-11-3-2-4-12-29)34-22(20)16-33-21-10-7-17(14-19(21)26(28)32)27-25(31)23-6-5-13-35-23/h5-7,10,13-14,18,20,22H,2-4,8-9,11-12,15-16H2,1H3,(H,27,31)/t18-,20+,22+/m1/s1" ; chebi:inchikey "IFOOEWPAOUEVPY-CBQOVEMMSA-N" ; chebi:mass "497.609" ; chebi:monoisotopicmass "497.19844" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13911" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide" . obo:CHEBI_102565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16+,20-/m0/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-YRNRMSPPSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13912" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H27N3O6" ; chebi:inchi "InChI=1S/C24H27N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-11,15,18-19,22,28H,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19+,22-/m1/s1" ; chebi:inchikey "UDMIDSQAUXVXMN-JHGBEIFQSA-N" ; chebi:mass "453.489" ; chebi:monoisotopicmass "453.18999" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-13913" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O7S" ; chebi:inchi "InChI=1S/C22H25ClN2O7S/c23-15-2-5-17(6-3-15)33(28,29)25-18-7-4-16(32-21(18)12-26)9-10-24-22(27)14-1-8-19-20(11-14)31-13-30-19/h1-3,5-6,8,11,16,18,21,25-26H,4,7,9-10,12-13H2,(H,24,27)/t16-,18+,21-/m0/s1" ; chebi:inchikey "WVRHSCPXBJSNMQ-CDXJDZJCSA-N" ; chebi:mass "496.963" ; chebi:monoisotopicmass "496.10710" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13914" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25-/m1/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-FUMQJTLXSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13915" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H23N3O4S" ; chebi:inchi "InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19-,20+/m0/s1" ; chebi:inchikey "DINYZOMRIFESDL-SLFFLAALSA-N" ; chebi:mass "413.492" ; chebi:monoisotopicmass "413.14093" ; chebi:smiles "CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13916" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_10257 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28543 ; owl:deprecated true . obo:CHEBI_102570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H34N2O7S" ; chebi:inchi "InChI=1S/C25H34N2O7S/c1-17-6-9-21(10-7-17)35(30,31)27(19(3)15-28)13-18(2)24(32-5)14-26(4)25(29)20-8-11-22-23(12-20)34-16-33-22/h6-12,18-19,24,28H,13-16H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "XFQUVXMASIHRAZ-KHCICDEESA-N" ; chebi:mass "506.614" ; chebi:monoisotopicmass "506.20867" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13917" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c1-16-13-27(34(5,30)31)17(2)15-33-21-12-19(25-23(28)18-8-6-7-9-18)10-11-20(21)24(29)26(3)14-22(16)32-4/h10-12,16-18,22H,6-9,13-15H2,1-5H3,(H,25,28)/t16-,17+,22-/m1/s1" ; chebi:inchikey "LHVPUDAVHZTECS-HYFFOGBASA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13918" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_102572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20-,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-QKTCQZCWSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13919" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13919" . obo:CHEBI_102573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H40N4O5" ; chebi:inchi "InChI=1S/C25H40N4O5/c1-7-9-23(30)27-19-10-11-21-20(13-19)24(31)28(5)15-22(33-6)17(3)14-29(18(4)16-34-21)25(32)26-12-8-2/h10-11,13,17-18,22H,7-9,12,14-16H2,1-6H3,(H,26,32)(H,27,30)/t17-,18-,22-/m1/s1" ; chebi:inchikey "RUFIKNIWNRYTLQ-JBYIUTFZSA-N" ; chebi:mass "476.610" ; chebi:monoisotopicmass "476.29987" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)NCCC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13920" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-14(15-6-3-2-4-7-15)27-22(32)20-16(13-30)18-12-29-17(8-5-9-19(29)31)21(20)28(18)11-10-23(24,25)26/h2-9,14,16,18,20-21,30H,10-13H2,1H3,(H,27,32)/t14-,16+,18+,20-,21-/m0/s1" ; chebi:inchikey "LOVSINJIWNBKBE-SJRSHZEHSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13921" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13921" . obo:CHEBI_102575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N6O3" ; chebi:inchi "InChI=1S/C20H30N6O3/c1-25(2)12-16-13-26(24-23-16)9-7-17-5-6-18(19(14-27)29-17)22-20(28)10-15-4-3-8-21-11-15/h3-4,8,11,13,17-19,27H,5-7,9-10,12,14H2,1-2H3,(H,22,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "NKPFHNDONDWVBL-QYZOEREBSA-N" ; chebi:mass "402.491" ; chebi:monoisotopicmass "402.23794" ; chebi:smiles "CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13922" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide" . obo:CHEBI_102576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "VINMFOKKSKWMTO-MKXGPGLRSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-13923" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_102577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26-/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-YZIHRLCOSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13924" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H18FN3O4S" ; chebi:inchi "InChI=1S/C18H18FN3O4S/c19-12-3-1-2-11(8-12)17(25)21-14-5-4-13(26-15(14)10-23)9-16(24)22-18-20-6-7-27-18/h1-8,13-15,23H,9-10H2,(H,21,25)(H,20,22,24)/t13-,14+,15-/m0/s1" ; chebi:inchikey "UCAVQNBXNWPRQF-ZNMIVQPWSA-N" ; chebi:mass "391.418" ; chebi:monoisotopicmass "391.10021" ; chebi:smiles "C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-13925" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide" . obo:CHEBI_102579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-18-13-30(14-21-8-6-7-11-27-21)19(2)16-35-23-10-9-20(28-25(31)17-33-4)12-22(23)26(32)29(3)15-24(18)34-5/h6-12,18-19,24H,13-17H2,1-5H3,(H,28,31)/t18-,19+,24+/m1/s1" ; chebi:inchikey "FQDNKYOBJJPTQR-IMWIBFENSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-13926" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10258 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28539 ; owl:deprecated true . obo:CHEBI_102580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H28N2O5" ; chebi:inchi "InChI=1S/C16H28N2O5/c1-18(2)15(20)9-12-3-4-13(14(10-19)23-12)17-16(21)11-5-7-22-8-6-11/h11-14,19H,3-10H2,1-2H3,(H,17,21)/t12-,13+,14-/m1/s1" ; chebi:inchikey "WYRQMVCVXSYSKJ-HZSPNIEDSA-N" ; chebi:mass "328.405" ; chebi:monoisotopicmass "328.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCOCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13927" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H20F2N4O5" ; chebi:inchi "InChI=1S/C24H20F2N4O5/c25-13-3-5-16(26)17(8-13)28-24(35)30-19-10-29-18(21(30)20(23(33)34)15(19)11-31)6-4-14(22(29)32)12-2-1-7-27-9-12/h1-9,15,19-21,31H,10-11H2,(H,28,35)(H,33,34)/t15-,19-,20+,21+/m1/s1" ; chebi:inchikey "VFFJPMQBAVMOHZ-IDCXYZFESA-N" ; chebi:mass "482.437" ; chebi:monoisotopicmass "482.14018" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)NC3=C(C=CC(=C3)F)F)C4=CC=C(C(=O)N41)C5=CN=CC=C5)C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13928" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13928" . obo:CHEBI_102582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-30-21-10-9-19(13-24(31)27-14-16-6-7-16)35-23(21)15-34-22-11-8-18(12-20(22)25(30)32)29-26(33)28-17-4-2-3-5-17/h8,11-12,16-17,19,21,23H,2-7,9-10,13-15H2,1H3,(H,27,31)(H2,28,29,33)/t19-,21+,23+/m0/s1" ; chebi:inchikey "OPKRVFTXMKZUJR-XKCSPQBFSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13929" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H26N2O3S" ; chebi:inchi "InChI=1S/C21H26N2O3S/c1-2-27(25,26)23-19(14-22)21(20(23)15-24)18-12-10-17(11-13-18)9-5-8-16-6-3-4-7-16/h10-13,16,19-21,24H,2-4,6-8,15H2,1H3/t19-,20+,21+/m1/s1" ; chebi:inchikey "FMUUBOBUXMLTIS-HKBOAZHASA-N" ; chebi:mass "386.510" ; chebi:monoisotopicmass "386.16641" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13930" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21-,23-,25+/m0/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-KRAAZVCLSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13931" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-JXYHXMIBSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13932" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19+/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-QYZOEREBSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-13933" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H30F2N2O5S" ; chebi:inchi "InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "PIEMZAFCKVBYBS-YVHKJVDXSA-N" ; chebi:mass "484.558" ; chebi:monoisotopicmass "484.18435" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13934" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_102588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H28N4O3" ; chebi:inchi "InChI=1S/C30H28N4O3/c35-19-24-26-18-33-25(7-4-8-27(33)36)29(34(26)17-20-13-15-31-16-14-20)28(24)30(37)32-23-11-9-22(10-12-23)21-5-2-1-3-6-21/h1-16,24,26,28-29,35H,17-19H2,(H,32,37)/t24-,26-,28+,29+/m0/s1" ; chebi:inchikey "QNNNGHWPHFGBDZ-QNEBNACWSA-N" ; chebi:mass "492.569" ; chebi:monoisotopicmass "492.21614" ; chebi:smiles "C1[C@H]2[C@@H]([C@H]([C@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13935" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13935" . obo:CHEBI_102589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24-,25+/m0/s1" ; chebi:inchikey "XKLJDQDBSRSGED-FQUZAXHOSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13936" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_10259 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28657 ; owl:deprecated true . obo:CHEBI_102590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20+,26+/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-OUDXUNEISA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13937" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H30FN3O4S2" ; chebi:inchi "InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16-,19-/m0/s1" ; chebi:inchikey "HDBUQVYPKWOJFH-BXWFABGCSA-N" ; chebi:mass "459.601" ; chebi:monoisotopicmass "459.16618" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=NC=CS2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13938" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide" . obo:CHEBI_102592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17-,24-/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-HOZJOUCCSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13939" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c1-28(2)24(32)16-5-3-4-15(10-16)17-8-9-20-21-18(12-29(20)25(17)33)19(13-30)22(27-21)23(31)26-11-14-6-7-14/h3-5,8-10,14,18-19,21-22,27,30H,6-7,11-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "BQHFMDKBCXXEDN-MPJJRAAHSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13940" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H41N3O5" ; chebi:inchi "InChI=1S/C27H41N3O5/c1-18-14-30(15-20-5-6-20)19(2)17-35-24-8-7-22(28-26(31)21-9-11-34-12-10-21)13-23(24)27(32)29(3)16-25(18)33-4/h7-8,13,18-21,25H,5-6,9-12,14-17H2,1-4H3,(H,28,31)/t18-,19-,25-/m1/s1" ; chebi:inchikey "WQZORWGHLUMPIH-MPCDZSKCSA-N" ; chebi:mass "487.633" ; chebi:monoisotopicmass "487.30462" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-13941" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H36N4O6" ; chebi:inchi "InChI=1S/C29H36N4O6/c1-33-24-4-3-22(17-27(34)31-13-8-19-6-11-30-12-7-19)39-26(24)18-38-25-5-2-21(16-23(25)29(33)36)32-28(35)20-9-14-37-15-10-20/h2,5-7,11-12,16,20,22,24,26H,3-4,8-10,13-15,17-18H2,1H3,(H,31,34)(H,32,35)/t22-,24+,26+/m1/s1" ; chebi:inchikey "XUZKWORPTAYLRR-CWDLOFLHSA-N" ; chebi:mass "536.620" ; chebi:monoisotopicmass "536.26348" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13942" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C18H27N3O4" ; chebi:inchi "InChI=1S/C18H27N3O4/c22-14-10-21-16-2-1-15(25-17(16)12-24-11-14)9-18(23)20-8-5-13-3-6-19-7-4-13/h3-4,6-7,14-17,21-22H,1-2,5,8-12H2,(H,20,23)/t14-,15-,16+,17-/m0/s1" ; chebi:inchikey "RNNHPDFMCSWFHC-NXOAAHMSSA-N" ; chebi:mass "349.425" ; chebi:monoisotopicmass "349.20016" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13943" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_29348 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O4" ; chebi:inchi "InChI=1S/C27H33F3N2O4/c1-18-14-32(19(2)16-33)26(35)23-11-7-6-10-22(23)21-9-5-4-8-20(21)17-36-24(18)15-31(3)25(34)12-13-27(28,29)30/h4-11,18-19,24,33H,12-17H2,1-3H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "VGVIGMMHZQAXDN-YDIMBITNSA-N" ; chebi:mass "506.558" ; chebi:monoisotopicmass "506.23924" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13944" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13944" . obo:CHEBI_102598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H26ClN3O4" ; chebi:inchi "InChI=1S/C23H26ClN3O4/c24-16-4-1-3-15(11-16)12-27-19-13-26-18(5-2-6-20(26)29)22(27)21(17(19)14-28)23(30)25-7-9-31-10-8-25/h1-6,11,17,19,21-22,28H,7-10,12-14H2/t17-,19-,21+,22+/m0/s1" ; chebi:inchikey "JHNJYMNWNCZPKL-HVJHZFLKSA-N" ; chebi:mass "443.924" ; chebi:monoisotopicmass "443.16118" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=CC(=CC=C5)Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13945" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13945" . obo:CHEBI_102599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H23ClN2O6" ; chebi:inchi "InChI=1S/C23H23ClN2O6/c1-26-18-8-7-16(11-21(27)28)32-20(18)12-31-19-9-6-15(10-17(19)23(26)30)25-22(29)13-2-4-14(24)5-3-13/h2-6,9-10,16,18,20H,7-8,11-12H2,1H3,(H,25,29)(H,27,28)/t16-,18+,20-/m0/s1" ; chebi:inchikey "SDVZNQMNQVCLRJ-HQRMLTQVSA-N" ; chebi:mass "458.892" ; chebi:monoisotopicmass "458.12446" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-13946" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_1026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22512 ; chebi:charge "0" ; chebi:formula "C8H9N5" ; chebi:inchi "InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)" ; chebi:inchikey "JJWCTKUQWXYIIU-UHFFFAOYSA-N" ; chebi:mass "175.191" ; chebi:monoisotopicmass "175.08580" ; chebi:smiles "NC(=N)Nc1nc2ccccc2[nH]1" ; oboInOwl:hasDbXref "CAS:5418-95-1" ; oboInOwl:hasDbXref "KEGG:C10898" ; oboInOwl:hasExactSynonym "2-Benzimidazolylguanidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:1026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-Benzimidazolylguanidine" . _:b1730 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1026 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:5418-95-1" ; rdfs:label "KEGG COMPOUND" . _:b1731 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1026 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-Benzimidazolylguanidine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_10260 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28729 ; owl:deprecated true . obo:CHEBI_102600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-RLSLOFABSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13947" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13947" . obo:CHEBI_102601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H28N2O6" ; chebi:inchi "InChI=1S/C24H28N2O6/c1-26(2)15-4-6-19-17(8-15)18-9-16(31-22(12-27)24(18)32-19)10-23(28)25-11-14-3-5-20-21(7-14)30-13-29-20/h3-8,16,18,22,24,27H,9-13H2,1-2H3,(H,25,28)/t16-,18-,22-,24+/m0/s1" ; chebi:inchikey "XORJDKZTELKQNH-GODDJFOZSA-N" ; chebi:mass "440.490" ; chebi:monoisotopicmass "440.19474" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13948" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m1/s1" ; chebi:inchikey "CRNISVWSFUFTQR-BYAUNOKSSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-13949" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20-,23+/m1/s1" ; chebi:inchikey "WARQVQDGSWZACN-WVVHNUNQSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-13950" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_102604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-GLGRRZRYSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13951" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13951" . obo:CHEBI_102605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12-,14-,16+/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-AEKOTVAKSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13952" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H44N4O4S" ; chebi:inchi "InChI=1S/C35H44N4O4S/c1-35(2,3)44(43)39-22-27-21-29(33(41)36-28-12-7-6-8-13-28)37-32(31(27)30(39)18-19-40)26-11-9-10-25(20-26)23-14-16-24(17-15-23)34(42)38(4)5/h9-11,14-17,20-21,28,30,40H,6-8,12-13,18-19,22H2,1-5H3,(H,36,41)/t30-,44-/m0/s1" ; chebi:inchikey "BMIDXELBLGAQFU-PDWOKFFSSA-N" ; chebi:mass "616.816" ; chebi:monoisotopicmass "616.30833" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-13953" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H28F2N4O5" ; chebi:inchi "InChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19-,21+/m1/s1" ; chebi:inchikey "CXRYDROHJOKZNG-QFUCXCTJSA-N" ; chebi:mass "478.490" ; chebi:monoisotopicmass "478.20278" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-13954" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29-8-10-30(11-9-29)25(33)15-19-14-21-20-13-18(28-24(32)12-17-4-6-27-7-5-17)2-3-22(20)35-26(21)23(16-31)34-19/h2-7,13,19,21,23,26,31H,8-12,14-16H2,1H3,(H,28,32)/t19-,21+,23+,26-/m0/s1" ; chebi:inchikey "LVKYMQHIUYSGLY-RLCNXLTRSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13955" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide" . obo:CHEBI_102609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,22+,25+/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-HNJJPSDCSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13956" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10261 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18205 ; owl:deprecated true . obo:CHEBI_102610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23+,24+,25-/m1/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-WSOYEBOPSA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13957" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18+,20-/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-IMFGXOCKSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13958" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N2O6" ; chebi:inchi "InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19+,20+,23-/m1/s1" ; chebi:inchikey "TYHBJRPCTKOJBR-QTDGGUCWSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13959" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_102613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-HTFPWXHTSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13960" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13960" . obo:CHEBI_102614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N5O4" ; chebi:inchi "InChI=1S/C25H35N5O4/c1-6-11-30-14-17(2)23(33-5)15-29(4)25(32)20-12-19(7-8-22(20)34-16-18(30)3)28-24(31)21-13-26-9-10-27-21/h7-10,12-13,17-18,23H,6,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "ZGJMWZDWXNCIBA-PNCHPQGNSA-N" ; chebi:mass "469.577" ; chebi:monoisotopicmass "469.26890" ; chebi:smiles "CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-13961" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17-,18-,19+/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-CADBVGFASA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-13962" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_102616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H27ClF3N3O5" ; chebi:inchi "InChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25+,27+/m0/s1" ; chebi:inchikey "QUFPSNAFNYGAMM-JZEPBHRJSA-N" ; chebi:mass "589.991" ; chebi:monoisotopicmass "589.15913" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13963" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22+/m1/s1" ; chebi:inchikey "LLNFNSHBDLACGS-HMFYCAOWSA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-13964" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_102618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18+,19-/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-NZSAHSFTSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-13965" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26-/m0/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-DMDYGQEQSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13966" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_10262 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27535 ; owl:deprecated true . obo:CHEBI_102620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H28N2O8" ; chebi:inchi "InChI=1S/C25H28N2O8/c1-31-12-24(30)27-15-3-5-19-17(7-15)18-8-16(34-22(11-28)25(18)35-19)9-23(29)26-10-14-2-4-20-21(6-14)33-13-32-20/h2-7,16,18,22,25,28H,8-13H2,1H3,(H,26,29)(H,27,30)/t16-,18+,22+,25-/m0/s1" ; chebi:inchikey "ZGEAGHWTKPKCOK-BXCPNTJMSA-N" ; chebi:mass "484.499" ; chebi:monoisotopicmass "484.18457" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-13967" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_102621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22-,28-/m0/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-VPYPWEPUSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13968" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20-,22+/m1/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-SJBKTWHCSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13969" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C19H32N2O5" ; chebi:inchi "InChI=1S/C19H32N2O5/c1-20(2)18(23)9-15-7-8-16-17(26-15)12-25-11-14(22)10-21(16)19(24)13-5-3-4-6-13/h13-17,22H,3-12H2,1-2H3/t14-,15+,16+,17-/m1/s1" ; chebi:inchikey "XUIBJKJBLJUMMA-LTIDMASMSA-N" ; chebi:mass "368.469" ; chebi:monoisotopicmass "368.23112" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-13970" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1732 rdf:type owl:Restriction . obo:CHEBI_102624 rdfs:subClassOf _:b1732 . _:b1732 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102624 chebi:charge "0" ; chebi:formula "C19H25N3O2" ; chebi:inchi "InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17+,19+/m1/s1" ; chebi:inchikey "DNWBFORDJWKZCR-AOIWGVFYSA-N" ; chebi:mass "327.421" ; chebi:monoisotopicmass "327.19468" ; chebi:smiles "C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13971" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_102625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15+,20-/m0/s1" ; chebi:inchikey "ORFROPTWDCALKP-MDOVXXIYSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13972" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18-,26+/m1/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-KABRZNFWSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13973" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22-,25+/m1/s1" ; chebi:inchikey "ALLGXHRZPBERLG-ZAWIEKPNSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-13974" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C23H26N2O6S" ; chebi:inchi "InChI=1S/C23H26N2O6S/c1-25-18-7-6-15(11-22(27)29-2)31-20(18)13-30-19-8-5-14(10-17(19)23(25)28)24-21(26)12-16-4-3-9-32-16/h3-5,8-10,15,18,20H,6-7,11-13H2,1-2H3,(H,24,26)/t15-,18+,20-/m0/s1" ; chebi:inchikey "VIAXYKVUXVILCJ-CVAIRZPRSA-N" ; chebi:mass "458.529" ; chebi:monoisotopicmass "458.15116" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13975" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_102629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26+,28+,29-/m1/s1" ; chebi:inchikey "LOPBZILAZMWERO-FUCIELGGSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13976" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10263 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C12H21O11R" ; chebi:mass "341.289" ; chebi:monoisotopicmass "341.10839" ; chebi:smiles "OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[*])[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasDbXref "KEGG:C04614" ; oboInOwl:hasExactSynonym "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "3-(alpha-D-Mannosyl)-beta-D-mannosyl-R" ; oboInOwl:id "CHEBI:10263" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" . _:b1733 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10263 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-D-Mannosyl-1,3-(R1)-beta-D-mannosyl-R2" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1734 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10263 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3-(alpha-D-Mannosyl)-beta-D-mannosyl-R" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c32-17-23-22-16-30-24(7-4-8-25(30)33)26(22)31(15-18-9-10-18)27(23)28(34)29-21-13-11-20(12-14-21)19-5-2-1-3-6-19/h1-8,11-14,18,22-23,26-27,32H,9-10,15-17H2,(H,29,34)/t22-,23-,26+,27-/m1/s1" ; chebi:inchikey "SJOVMCPVBGRFMC-JUIYCPNDSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "C1CC1CN2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13977" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-N-(4-phenylphenyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H25N3O2" ; chebi:inchi "InChI=1S/C24H25N3O2/c25-15-21-24(20-8-6-19(7-9-20)18-4-2-1-3-5-18)22(16-28)27(21)23(29)14-17-10-12-26-13-11-17/h4,6-13,21-22,24,28H,1-3,5,14,16H2/t21-,22-,24+/m0/s1" ; chebi:inchikey "GMLMGXOKFZUTJK-WPFOTENUSA-N" ; chebi:mass "387.475" ; chebi:monoisotopicmass "387.19468" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13978" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-NAVOZUGXSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13979" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H32N2O5S" ; chebi:inchi "InChI=1S/C17H32N2O5S/c1-2-25(22,23)18-11-10-14-8-9-15(16(12-20)24-14)19-17(21)13-6-4-3-5-7-13/h13-16,18,20H,2-12H2,1H3,(H,19,21)/t14-,15+,16-/m1/s1" ; chebi:inchikey "NFMKQITUWMOCLJ-OWCLPIDISA-N" ; chebi:mass "376.513" ; chebi:monoisotopicmass "376.20319" ; chebi:smiles "CCS(=O)(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-13980" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide" . obo:CHEBI_102634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H38N4O5" ; chebi:inchi "InChI=1S/C25H38N4O5/c1-15(2)26-25(32)29-12-16(3)22(33-6)13-28(5)24(31)20-11-19(27-23(30)18-7-8-18)9-10-21(20)34-14-17(29)4/h9-11,15-18,22H,7-8,12-14H2,1-6H3,(H,26,32)(H,27,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "CYXOTKWKLUXHGN-YVHKJVDXSA-N" ; chebi:mass "474.594" ; chebi:monoisotopicmass "474.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-13981" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7R,8R)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C21H24N2O4" ; chebi:inchi "InChI=1S/C21H24N2O4/c1-27-21(26)19-15(13-24)17-12-23-16(8-5-9-18(23)25)20(19)22(17)11-10-14-6-3-2-4-7-14/h2-9,15,17,19-20,24H,10-13H2,1H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "YMDLGNDEUAJUCM-BEKAIBRUSA-N" ; chebi:mass "368.427" ; chebi:monoisotopicmass "368.17361" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CCC4=CC=CC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13982" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13982" . obo:CHEBI_102636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C25H32N2O4" ; chebi:inchi "InChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24+/m0/s1" ; chebi:inchikey "PBZGESVUNIXUSB-LLJLJFOGSA-N" ; chebi:mass "424.534" ; chebi:monoisotopicmass "424.23621" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13983" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13983" . obo:CHEBI_102637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18-,19-/m1/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-GUDVDZBRSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-13984" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17+,19-/m1/s1" ; chebi:inchikey "NONDGOMIDWLUNU-ZIFCJYIRSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13985" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27-/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-VKIDHGPPSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13986" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-13986" . obo:CHEBI_10264 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22407 ; owl:deprecated true . obo:CHEBI_102640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20+/m0/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-XUVXKRRUSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-13987" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27+,29-/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-WGHVJBFBSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-13988" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33ClFN3O3" ; chebi:inchi "InChI=1S/C24H33ClFN3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)25)23(32-4)15-28(3)24(31)27-21-11-9-20(26)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23+/m0/s1" ; chebi:inchikey "OEVRCWMHWGKQED-IUKKYPGJSA-N" ; chebi:mass "465.989" ; chebi:monoisotopicmass "465.21945" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-13989" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea" . obo:CHEBI_102643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20-,22+,23-/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-RLBLXZPPSA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-13990" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14+,17+,18-/m1/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-IDCJVQTKSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-13991" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H32F2N6O5" ; chebi:inchi "InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26-/m1/s1" ; chebi:inchikey "ZXQGUZCJBQNBQR-UYPAYLBCSA-N" ; chebi:mass "582.599" ; chebi:monoisotopicmass "582.24022" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13992" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H33N3O6S" ; chebi:inchi "InChI=1S/C24H33N3O6S/c1-17(2)26-24(29)25-15-14-20-10-13-22(23(16-28)33-20)27-34(30,31)21-11-8-19(9-12-21)32-18-6-4-3-5-7-18/h3-9,11-12,17,20,22-23,27-28H,10,13-16H2,1-2H3,(H2,25,26,29)/t20-,22-,23-/m0/s1" ; chebi:inchikey "URVFCIGKBRHLNA-PMVMPFDFSA-N" ; chebi:mass "491.602" ; chebi:monoisotopicmass "491.20901" ; chebi:smiles "CC(C)NC(=O)NCC[C@@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-13993" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea" . obo:CHEBI_102647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O5S" ; chebi:inchi "InChI=1S/C23H34N4O5S/c1-31-21-9-5-6-10-23(21)33(29,30)25-19-12-11-18(32-22(19)16-28)13-14-27-15-20(24-26-27)17-7-3-2-4-8-17/h5-6,9-10,15,17-19,22,25,28H,2-4,7-8,11-14,16H2,1H3/t18-,19+,22-/m0/s1" ; chebi:inchikey "HBWIVVUPODMQBV-JQVVWYNYSA-N" ; chebi:mass "478.607" ; chebi:monoisotopicmass "478.22499" ; chebi:smiles "COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-13994" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide" . obo:CHEBI_102648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23+,24-,25+/m1/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-RCTAOEEJSA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-13995" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25+,26+/m1/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-ZNZIZOMTSA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-13996" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_10265 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28067 ; owl:deprecated true . obo:CHEBI_102650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19FN2O6S" ; chebi:inchi "InChI=1S/C19H19FN2O6S/c1-29(27,28)22-16-13(14(9-23)17(22)19(25)26)8-21-15(16)7-6-12(18(21)24)10-2-4-11(20)5-3-10/h2-7,13-14,16-17,23H,8-9H2,1H3,(H,25,26)/t13-,14-,16+,17-/m0/s1" ; chebi:inchikey "PCISDUIZPJCQMU-DIECFANBSA-N" ; chebi:mass "422.429" ; chebi:monoisotopicmass "422.09479" ; chebi:smiles "CS(=O)(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)O)CO" ; oboInOwl:hasDbXref "LINCS:LSM-13997" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid" . obo:CHEBI_102651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17(2)27(33)30-19-7-12-24-22(13-19)28(34)31(3)23-11-10-21(37-25(23)16-36-24)14-26(32)29-15-18-5-8-20(35-4)9-6-18/h5-9,12-13,17,21,23,25H,10-11,14-16H2,1-4H3,(H,29,32)(H,30,33)/t21-,23-,25+/m1/s1" ; chebi:inchikey "WOMWNJCZYVCUPK-PFATUAPWSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-13998" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide" . obo:CHEBI_102652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27+,29-/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-NKLDQQJQSA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-13999" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16-,18+,20+/m0/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-LBLLVPRASA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14000" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H30FN5O3" ; chebi:inchi "InChI=1S/C26H30FN5O3/c1-3-31-23-20(21(14-33)24(31)25(34)28-11-10-18-12-30(2)15-29-18)13-32-22(23)9-8-19(26(32)35)16-4-6-17(27)7-5-16/h4-9,12,15,20-21,23-24,33H,3,10-11,13-14H2,1-2H3,(H,28,34)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "QCFMKJOQGAVCFD-CJTFWIGWSA-N" ; chebi:mass "479.547" ; chebi:monoisotopicmass "479.23327" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)NCCC5=CN(C=N5)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14001" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H30FN3O6S" ; chebi:inchi "InChI=1S/C20H30FN3O6S/c21-15-1-4-17(5-2-15)31(27,28)23-18-6-3-16(30-19(18)14-25)7-8-22-20(26)13-24-9-11-29-12-10-24/h1-2,4-5,16,18-19,23,25H,3,6-14H2,(H,22,26)/t16-,18+,19+/m0/s1" ; chebi:inchikey "JNXYUDJSGYXBCY-QXAKKESOSA-N" ; chebi:mass "459.534" ; chebi:monoisotopicmass "459.18394" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14002" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide" . obo:CHEBI_102656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29+/m1/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-BXOOBUKZSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14003" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14003" . obo:CHEBI_102657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c25-18-3-1-2-16(10-18)12-27-23(30)11-20-4-5-21-22(33-20)15-32-14-19(29)13-28(21)24(31)17-6-8-26-9-7-17/h1-3,6-10,19-22,29H,4-5,11-15H2,(H,27,30)/t19-,20-,21-,22+/m1/s1" ; chebi:inchikey "VWRSVZSWDSMGOW-YSFYHYPLSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14004" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide" . obo:CHEBI_102658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-XLNZFTOWSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14005" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_102659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16+,18-,21-/m1/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-HRWHDRTOSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14006" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_10266 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27896 ; owl:deprecated true . obo:CHEBI_102660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C29H33N3O4" ; chebi:inchi "InChI=1S/C29H33N3O4/c33-17-22-24-16-31-23(15-14-21(29(31)36)18-8-4-5-9-18)26(25(22)27(34)30-20-12-6-7-13-20)32(24)28(35)19-10-2-1-3-11-19/h1-3,8,10-11,14-15,20,22,24-26,33H,4-7,9,12-13,16-17H2,(H,30,34)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "MOGZBFKOCSCLHD-BPHNFWMXSA-N" ; chebi:mass "487.591" ; chebi:monoisotopicmass "487.24711" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@@H]2N3C(=O)C6=CC=CC=C6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14007" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14007" . obo:CHEBI_102661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5" ; chebi:inchi "InChI=1S/C27H38N4O5/c1-18-12-31(13-22-16-35-17-28-22)19(2)15-36-24-11-21(29-26(32)20-7-5-6-8-20)9-10-23(24)27(33)30(3)14-25(18)34-4/h9-11,16-20,25H,5-8,12-15H2,1-4H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "MYQCBFUDPAPJCT-RRQZXNHTSA-N" ; chebi:mass "498.615" ; chebi:monoisotopicmass "498.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=COC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-14008" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_102662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-17-14-31(27(34)22-7-5-6-12-28-22)18(2)16-36-23-13-20(29-25(32)19-8-9-19)10-11-21(23)26(33)30(3)15-24(17)35-4/h5-7,10-13,17-19,24H,8-9,14-16H2,1-4H3,(H,29,32)/t17-,18+,24-/m0/s1" ; chebi:inchikey "ICZJHRYDJKYLQD-RHGYRFJNSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-14009" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H29FN4O5S" ; chebi:inchi "InChI=1S/C21H29FN4O5S/c1-15(20(31-4)13-25(3)21(28)19-11-23-9-10-24-19)12-26(16(2)14-27)32(29,30)18-7-5-17(22)6-8-18/h5-11,15-16,20,27H,12-14H2,1-4H3/t15-,16-,20+/m1/s1" ; chebi:inchikey "DJBLUNZOFTWTAE-QINHECLXSA-N" ; chebi:mass "468.544" ; chebi:monoisotopicmass "468.18427" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14010" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_102664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H37N3O5" ; chebi:inchi "InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-39-29(21)18-33(3)31(37)32-24-11-9-12-25(16-24)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29+/m0/s1" ; chebi:inchikey "WYYHNXRAZIWUBG-DKGMKSHISA-N" ; chebi:mass "531.644" ; chebi:monoisotopicmass "531.27332" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14011" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14011" . obo:CHEBI_102665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c25-19-8-3-2-7-16(19)13-28-22-17(14-27-20(22)9-6-10-21(27)30)18(15-29)23(28)24(31)26-11-4-1-5-12-26/h2-3,6-10,17-18,22-23,29H,1,4-5,11-15H2/t17-,18-,22+,23-/m1/s1" ; chebi:inchikey "VQCZTXNNKFBGGK-FJDVCKPCSA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=CC=CC=C5Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14012" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_102666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C21H32N4O3" ; chebi:inchi "InChI=1S/C21H32N4O3/c1-23(2)10-4-9-22-21(28)19-15(13-26)17-12-24-16(5-3-6-18(24)27)20(19)25(17)11-14-7-8-14/h3,5-6,14-15,17,19-20,26H,4,7-13H2,1-2H3,(H,22,28)/t15-,17-,19+,20+/m0/s1" ; chebi:inchikey "FYGCWFQCJMSVAD-SMMRIJLZSA-N" ; chebi:mass "388.505" ; chebi:monoisotopicmass "388.24744" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CC4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14013" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14013" . obo:CHEBI_102667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25-,27-/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-AVPJRLCVSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14014" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H37N3O6S" ; chebi:inchi "InChI=1S/C24H37N3O6S/c28-19-16-27(34(30,31)21-7-3-1-4-8-21)22-10-9-20(33-23(22)18-32-17-19)15-24(29)25-11-14-26-12-5-2-6-13-26/h1,3-4,7-8,19-20,22-23,28H,2,5-6,9-18H2,(H,25,29)/t19-,20+,22+,23-/m0/s1" ; chebi:inchikey "BTHNBOLPOQRYCE-JVSAHFFESA-N" ; chebi:mass "495.634" ; chebi:monoisotopicmass "495.24031" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14015" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H26N4O3" ; chebi:inchi "InChI=1S/C25H26N4O3/c1-2-28-21-14-29-20(9-8-18(25(29)32)16-10-12-26-13-11-16)23(28)22(19(21)15-30)24(31)27-17-6-4-3-5-7-17/h3-13,19,21-23,30H,2,14-15H2,1H3,(H,27,31)/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "OPFBOJMKCVWWQL-KZKAQZJJSA-N" ; chebi:mass "430.500" ; chebi:monoisotopicmass "430.20049" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14016" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14016" . obo:CHEBI_10267 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_42606 ; owl:deprecated true . obo:CHEBI_102670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C22H20FN3OS" ; chebi:inchi "InChI=1S/C22H20FN3OS/c1-2-18-12-25-22(28-18)26-19(11-24)21(20(26)13-27)15-8-6-14(7-9-15)16-4-3-5-17(23)10-16/h3-10,12,19-21,27H,2,13H2,1H3/t19-,20-,21+/m0/s1" ; chebi:inchikey "IQRVCTXELZIWDH-PCCBWWKXSA-N" ; chebi:mass "393.479" ; chebi:monoisotopicmass "393.13111" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14017" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20+,22+,24-/m0/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-AYEZKCMBSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14018" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_102672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-30-23-9-8-21(14-27(33)31-12-11-18-5-3-4-6-19(18)15-31)37-25(23)16-36-24-10-7-20(13-22(24)28(30)34)29-26(32)17-35-2/h3-7,10,13,21,23,25H,8-9,11-12,14-17H2,1-2H3,(H,29,32)/t21-,23-,25-/m0/s1" ; chebi:inchikey "HUCZTLCWVGQLCW-RSEQLOHWSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-14019" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide" . obo:CHEBI_102673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C16H21NO5" ; chebi:inchi "InChI=1S/C16H21NO5/c1-17(2)9-3-4-13-11(5-9)12-6-10(7-15(19)20)21-14(8-18)16(12)22-13/h3-5,10,12,14,16,18H,6-8H2,1-2H3,(H,19,20)/t10-,12+,14+,16-/m1/s1" ; chebi:inchikey "MUGALHVVQCOZES-IFXMJZAHSA-N" ; chebi:mass "307.342" ; chebi:monoisotopicmass "307.14197" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14020" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5" ; chebi:inchi "InChI=1S/C23H31FN2O5/c24-17-6-4-16(5-7-17)23(29)26-13-18(27)14-30-15-21-20(26)9-8-19(31-21)12-22(28)25-10-2-1-3-11-25/h4-7,18-21,27H,1-3,8-15H2/t18-,19-,20-,21+/m0/s1" ; chebi:inchikey "HWBWJNULPIZKLY-XSDIEEQYSA-N" ; chebi:mass "434.502" ; chebi:monoisotopicmass "434.22170" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14021" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone" . obo:CHEBI_102675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H22Cl2N2O5S" ; chebi:inchi "InChI=1S/C21H22Cl2N2O5S/c22-17-8-6-14(10-18(17)23)12-24-21(27)11-15-7-9-19(20(13-26)30-15)25-31(28,29)16-4-2-1-3-5-16/h1-10,15,19-20,25-26H,11-13H2,(H,24,27)/t15-,19-,20-/m1/s1" ; chebi:inchikey "LRDWIZFOJOHHOT-CDHQVMDDSA-N" ; chebi:mass "485.383" ; chebi:monoisotopicmass "484.06265" ; chebi:smiles "C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14022" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_102676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H37N5O5" ; chebi:inchi "InChI=1S/C27H37N5O5/c1-18-14-32(26(34)20-9-11-28-12-10-20)19(2)17-37-23-13-21(29-25(33)16-30(3)4)7-8-22(23)27(35)31(5)15-24(18)36-6/h7-13,18-19,24H,14-17H2,1-6H3,(H,29,33)/t18-,19-,24-/m1/s1" ; chebi:inchikey "OLPJMCHMQFLJIT-KHCICDEESA-N" ; chebi:mass "511.614" ; chebi:monoisotopicmass "511.27947" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CN(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14023" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(dimethylamino)-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30FN3O4" ; chebi:inchi "InChI=1S/C24H30FN3O4/c1-15-12-26-16(2)14-32-21-10-9-17(27-23(29)18-7-5-6-8-20(18)25)11-19(21)24(30)28(3)13-22(15)31-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H,27,29)/t15-,16-,22-/m0/s1" ; chebi:inchikey "ULFQVHHILZHREN-WCJKSRRJSA-N" ; chebi:mass "443.512" ; chebi:monoisotopicmass "443.22203" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14024" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20-/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-YZGWKJHDSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14025" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H24N2O5S" ; chebi:inchi "InChI=1S/C15H24N2O5S/c1-21-12-3-2-4-13(9-12)23(19,20)17-14-6-5-11(7-8-16)22-15(14)10-18/h2-4,9,11,14-15,17-18H,5-8,10,16H2,1H3/t11-,14+,15-/m0/s1" ; chebi:inchikey "FUQFZQORNFVFMN-GLQYFDAESA-N" ; chebi:mass "344.428" ; chebi:monoisotopicmass "344.14059" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-14026" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide" . obo:CHEBI_10268 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28764 ; owl:deprecated true . obo:CHEBI_102680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O6" ; chebi:inchi "InChI=1S/C28H34F3N3O6/c1-17-13-34(10-9-28(29,30)31)18(2)15-38-23-12-20(6-7-21(23)27(36)33(3)14-25(17)37-4)32-26(35)19-5-8-22-24(11-19)40-16-39-22/h5-8,11-12,17-18,25H,9-10,13-16H2,1-4H3,(H,32,35)/t17-,18+,25-/m0/s1" ; chebi:inchikey "RXVPCSLMNQSOJP-ATLLOTDBSA-N" ; chebi:mass "565.582" ; chebi:monoisotopicmass "565.23997" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14027" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23-,25-,28+/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-FNIBFVHZSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14028" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H40N4O5" ; chebi:inchi "InChI=1S/C29H40N4O5/c1-20-16-33(17-22-6-5-11-30-15-22)21(2)19-38-26-8-7-24(31-28(34)23-9-12-37-13-10-23)14-25(26)29(35)32(3)18-27(20)36-4/h5-8,11,14-15,20-21,23,27H,9-10,12-13,16-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m0/s1" ; chebi:inchikey "WKDBULKSLWTRKP-IZVMNLJQSA-N" ; chebi:mass "524.653" ; chebi:monoisotopicmass "524.29987" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14029" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H20FNO7S" ; chebi:inchi "InChI=1S/C20H20FNO7S/c21-11-1-4-14(5-2-11)30(26,27)22-12-3-6-17-15(7-12)16-8-13(9-19(24)25)28-18(10-23)20(16)29-17/h1-7,13,16,18,20,22-23H,8-10H2,(H,24,25)/t13-,16-,18-,20+/m0/s1" ; chebi:inchikey "BOKKRFULVUTARF-JQIPDMGMSA-N" ; chebi:mass "437.441" ; chebi:monoisotopicmass "437.09445" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14030" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C24H34N4O7" ; chebi:inchi "InChI=1S/C24H34N4O7/c1-26-6-8-27(9-7-26)23(30)11-18-3-4-19-22(35-18)14-32-13-17(29)12-28(19)24(31)25-16-2-5-20-21(10-16)34-15-33-20/h2,5,10,17-19,22,29H,3-4,6-9,11-15H2,1H3,(H,25,31)/t17-,18+,19-,22+/m1/s1" ; chebi:inchikey "QICYWJCDSALLPT-MOXWOTFGSA-N" ; chebi:mass "490.550" ; chebi:monoisotopicmass "490.24275" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14031" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c23-13-19-18(22-28(25,26)14-15-5-2-1-3-6-15)10-9-17(27-19)11-12-21-20(24)16-7-4-8-16/h1-3,5-6,16-19,22-23H,4,7-14H2,(H,21,24)/t17-,18+,19+/m0/s1" ; chebi:inchikey "FGKXCNJDDMNFOM-IPMKNSEASA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14032" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide" . obo:CHEBI_102686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H26FN3O5" ; chebi:inchi "InChI=1S/C23H26FN3O5/c1-27(2)21(29)11-16-10-18-17-9-15(7-8-19(17)32-22(18)20(12-28)31-16)26-23(30)25-14-5-3-13(24)4-6-14/h3-9,16,18,20,22,28H,10-12H2,1-2H3,(H2,25,26,30)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "HTNOASUNFPMBNX-FDGCKHTNSA-N" ; chebi:mass "443.469" ; chebi:monoisotopicmass "443.18565" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14033" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide" . obo:CHEBI_102687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C28H34F3N3O5S" ; chebi:inchi "InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "BZAPUCLBFKATKI-KHCICDEESA-N" ; chebi:mass "581.649" ; chebi:monoisotopicmass "581.21713" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14034" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14034" . obo:CHEBI_102688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21+,22+,23-,24+/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-RNBKDOAQSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14035" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32FN3O6" ; chebi:inchi "InChI=1S/C26H32FN3O6/c1-34-23-5-3-2-4-17(23)13-28-25(32)12-21-10-11-22-24(36-21)16-35-15-20(31)14-30(22)26(33)29-19-8-6-18(27)7-9-19/h2-9,20-22,24,31H,10-16H2,1H3,(H,28,32)(H,29,33)/t20-,21+,22-,24+/m1/s1" ; chebi:inchikey "ADXBMBRYFBFALA-GBAAUQCPSA-N" ; chebi:mass "501.548" ; chebi:monoisotopicmass "501.22751" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14036" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10269 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16300 ; owl:deprecated true . obo:CHEBI_102690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H35FN4O6S" ; chebi:inchi "InChI=1S/C30H35FN4O6S/c1-20-17-35(29(36)13-22-7-6-12-32-16-22)21(2)19-41-27-11-10-24(15-26(27)30(37)34(3)18-28(20)40-4)33-42(38,39)25-9-5-8-23(31)14-25/h5-12,14-16,20-21,28,33H,13,17-19H2,1-4H3/t20-,21-,28+/m0/s1" ; chebi:inchikey "XXZJPGUPXRETOH-YHGPEZAFSA-N" ; chebi:mass "598.688" ; chebi:monoisotopicmass "598.22613" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14037" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21-/m1/s1" ; chebi:inchikey "XCDRDXJNPKYISK-QFIXIFRTSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14038" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "IDILRECQKBLRIF-DQCZWYHMSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14039" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14039" . obo:CHEBI_102693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b1735 rdf:type owl:Restriction . obo:CHEBI_102693 rdfs:subClassOf _:b1735 . _:b1735 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_102693 chebi:charge "0" ; chebi:formula "C21H30N4O4" ; chebi:inchi "InChI=1S/C21H30N4O4/c26-15-19-18(24-21(28)16-5-4-8-22-14-16)7-6-17(29-19)13-20(27)23-9-12-25-10-2-1-3-11-25/h4-8,14,17-19,26H,1-3,9-13,15H2,(H,23,27)(H,24,28)/t17-,18+,19+/m0/s1" ; chebi:inchikey "VGDFEWNPUKUXSQ-IPMKNSEASA-N" ; chebi:mass "402.488" ; chebi:monoisotopicmass "402.22671" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14040" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide" . obo:CHEBI_102694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H40FN3O5" ; chebi:inchi "InChI=1S/C30H40FN3O5/c1-20-16-34(17-22-11-13-38-14-12-22)21(2)19-39-27-10-9-23(32-29(35)24-7-5-6-8-26(24)31)15-25(27)30(36)33(3)18-28(20)37-4/h5-10,15,20-22,28H,11-14,16-19H2,1-4H3,(H,32,35)/t20-,21+,28-/m0/s1" ; chebi:inchikey "PDYFFKDIVHOONQ-GTNJKRJXSA-N" ; chebi:mass "541.655" ; chebi:monoisotopicmass "541.29520" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14041" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17+,20-/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-GKTLAZJLSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14042" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24-/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-KIFXHHALSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14043" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H36N4O5S" ; chebi:inchi "InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29-/m1/s1" ; chebi:inchikey "VOTKEIORIBNPMA-VDWGHMIBSA-N" ; chebi:mass "600.730" ; chebi:monoisotopicmass "600.24064" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14044" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14044" . obo:CHEBI_102698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C32H38N2O4" ; chebi:inchi "InChI=1S/C32H38N2O4/c1-22-18-34(23(2)20-35)32(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-38-30(22)19-33(4)31(36)24(3)25-12-6-5-7-13-25/h5-17,22-24,30,35H,18-21H2,1-4H3/t22-,23-,24+,30-/m0/s1" ; chebi:inchikey "VTQGPDBOURHJNB-WAHOFHFDSA-N" ; chebi:mass "514.656" ; chebi:monoisotopicmass "514.28316" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14045" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14045" . obo:CHEBI_102699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H35N3O5" ; chebi:inchi "InChI=1S/C24H35N3O5/c1-27(2)13-23(30)26-16-8-9-20-18(10-16)19-11-17(31-21(14-28)24(19)32-20)12-22(29)25-15-6-4-3-5-7-15/h8-10,15,17,19,21,24,28H,3-7,11-14H2,1-2H3,(H,25,29)(H,26,30)/t17-,19-,21+,24+/m1/s1" ; chebi:inchikey "KRQAAGOFZVBHDO-GOSIJUEPSA-N" ; chebi:mass "445.553" ; chebi:monoisotopicmass "445.25767" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14046" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_1027 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17217 ; owl:deprecated true . obo:CHEBI_10270 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18189 ; owl:deprecated true . obo:CHEBI_102700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)17-3-5-18(6-4-17)34-27(38)35-19-7-8-23-21(10-19)22-11-20(39-24(15-36)26(22)40-23)12-25(37)33-14-16-2-1-9-32-13-16/h1-10,13,20,22,24,26,36H,11-12,14-15H2,(H,33,37)(H2,34,35,38)/t20-,22+,24-,26-/m0/s1" ; chebi:inchikey "IMICHJYMUCZKDW-YXOQKGKWSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14047" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_102701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17-,18+,19-/m1/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-AKHDSKFASA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14048" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C16H28N2O5" ; chebi:inchi "InChI=1S/C16H28N2O5/c1-18(2)15(20)9-12-3-4-13(14(10-19)23-12)17-16(21)11-5-7-22-8-6-11/h11-14,19H,3-10H2,1-2H3,(H,17,21)/t12-,13+,14-/m0/s1" ; chebi:inchikey "WYRQMVCVXSYSKJ-MJBXVCDLSA-N" ; chebi:mass "328.405" ; chebi:monoisotopicmass "328.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1CC[C@H]([C@@H](O1)CO)NC(=O)C2CCOCC2" ; oboInOwl:hasDbXref "LINCS:LSM-14049" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19+/m1/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-QRQLOZEOSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14050" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32FN3O7S" ; chebi:inchi "InChI=1S/C30H32FN3O7S/c1-34-25-12-11-22(16-29(35)32-17-19-6-5-7-21(14-19)39-2)41-27(25)18-40-26-13-10-20(15-23(26)30(34)36)33-42(37,38)28-9-4-3-8-24(28)31/h3-10,13-15,22,25,27,33H,11-12,16-18H2,1-2H3,(H,32,35)/t22-,25-,27+/m0/s1" ; chebi:inchikey "MRUYUJCJGOFQDV-RIACCQAKSA-N" ; chebi:mass "597.657" ; chebi:monoisotopicmass "597.19450" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide" . obo:CHEBI_102705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27+,28-/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BYXJMBFLSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14052" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14052" . obo:CHEBI_102706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H32FN5O5S" ; chebi:inchi "InChI=1S/C21H32FN5O5S/c1-15(19(32-5)11-26(4)33(30,31)20-12-25(3)14-23-20)10-27(16(2)13-28)21(29)24-18-8-6-17(22)7-9-18/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3,(H,24,29)/t15-,16+,19+/m0/s1" ; chebi:inchikey "APPCZAALLCDYNG-FRQCXROJSA-N" ; chebi:mass "485.575" ; chebi:monoisotopicmass "485.21082" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14053" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea" . obo:CHEBI_102707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C19H26N2O6" ; chebi:inchi "InChI=1S/C19H26N2O6/c1-21(2)9-17(23)20-11-4-5-15-13(6-11)14-7-12(8-18(24)25-3)26-16(10-22)19(14)27-15/h4-6,12,14,16,19,22H,7-10H2,1-3H3,(H,20,23)/t12-,14+,16+,19-/m1/s1" ; chebi:inchikey "IMIOHDVFACJXOK-BDOZRKEQSA-N" ; chebi:mass "378.420" ; chebi:monoisotopicmass "378.17909" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14054" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C33H32F3N3O5" ; chebi:inchi "InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29+/m0/s1" ; chebi:inchikey "CCWJWXJNOLFYBD-MDZVADFISA-N" ; chebi:mass "607.621" ; chebi:monoisotopicmass "607.22941" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-14055" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide" . obo:CHEBI_102709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C16H23N3O3" ; chebi:inchi "InChI=1S/C16H23N3O3/c1-3-7-17-16(22)15-11(9-20)10-8-19-12(14(10)18(15)2)5-4-6-13(19)21/h4-6,10-11,14-15,20H,3,7-9H2,1-2H3,(H,17,22)/t10-,11-,14+,15-/m0/s1" ; chebi:inchikey "MRYDESPSWZCGBB-AZHAFVHUSA-N" ; chebi:mass "305.373" ; chebi:monoisotopicmass "305.17394" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@@H]2N1C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14056" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10271 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28552 ; owl:deprecated true . obo:CHEBI_102710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24-,31-/m1/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-OVMXQCPESA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasDbXref "LINCS:LSM-14057" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20-,26-/m1/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-XMERXJNXSA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14058" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_102712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18-,20-,21+/m1/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-UKAVVXHISA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14059" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_102713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N5O4" ; chebi:inchi "InChI=1S/C22H29N5O4/c1-14-10-25-15(2)13-31-19-9-16(26-21(28)18-11-23-7-8-24-18)5-6-17(19)22(29)27(3)12-20(14)30-4/h5-9,11,14-15,20,25H,10,12-13H2,1-4H3,(H,26,28)/t14-,15-,20+/m1/s1" ; chebi:inchikey "ORFROPTWDCALKP-SXGZJXTBSA-N" ; chebi:mass "427.498" ; chebi:monoisotopicmass "427.22195" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14060" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18-,24+/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-GGUMNFRJSA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14061" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H33FN4O5" ; chebi:inchi "InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24+/m1/s1" ; chebi:inchikey "MGTDWSJKTZULMI-KCYKTTMJSA-N" ; chebi:mass "500.563" ; chebi:monoisotopicmass "500.24350" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14062" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea" . obo:CHEBI_102716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C21H29F3N2O4" ; chebi:inchi "InChI=1S/C21H29F3N2O4/c1-25(2)20(28)9-17-7-8-18-19(30-17)13-29-12-16(27)11-26(18)10-14-3-5-15(6-4-14)21(22,23)24/h3-6,16-19,27H,7-13H2,1-2H3/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "OUTWOBHUWTVFCP-ZSYWTGECSA-N" ; chebi:mass "430.462" ; chebi:monoisotopicmass "430.20794" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14063" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide" . obo:CHEBI_102717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18-,20+,21+/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-GDVKCFTOSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14064" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102718 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_100241 ; owl:deprecated true . obo:CHEBI_102719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_60783 . _:b1736 rdf:type owl:Restriction . obo:CHEBI_102719 rdfs:subClassOf _:b1736 . _:b1736 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1737 rdf:type owl:Restriction . obo:CHEBI_102719 rdfs:subClassOf _:b1737 . _:b1737 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_16708 . obo:CHEBI_102719 obo:IAO_0000115 "A nucleoside analogue that is adenosine in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C12H16N6O4" ; chebi:inchi "InChI=1S/C12H16N6O4/c13-8(21)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(20)7(3-19)22-9/h4-7,9,19-20H,1-3H2,(H2,13,21)(H,14,15,16)/t6-,7+,9+/m0/s1" ; chebi:inchikey "BLGGLLGDRXGJJC-LKEWCRSYSA-N" ; chebi:mass "308.294" ; chebi:monoisotopicmass "308.12330" ; chebi:smiles "N(C=1N=CN=C2C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)C3)CC(=O)N" ; oboInOwl:hasDbXref "CAS:89014-18-6" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasDbXref "Reaxys:6536265" ; oboInOwl:hasExactSynonym "N(6)-carbamoylmethyl-2'-deoxyadenosine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N(6)-(carbamoylmethyl)deoxyadenosine" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyldeoxyadenosine" ; oboInOwl:hasRelatedSynonym "N-(9beta-D-2'-Deoxyribofuranosylpurin-6-yl)glycinamide" ; oboInOwl:id "CHEBI:102719" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyl-2'-deoxyadenosine" . _:b1738 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:89014-18-6" ; rdfs:label "ChemIDplus" . _:b1739 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1740 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:6536265" ; rdfs:label "Reaxys" . _:b1741 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyl-2'-deoxyadenosine" ; oboInOwl:hasDbXref "ChEBI" . _:b1742 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-(carbamoylmethyl)deoxyadenosine" ; oboInOwl:hasDbXref "ChEBI" . _:b1743 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyldeoxyadenosine" ; oboInOwl:hasDbXref "ChEBI" . _:b1744 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_102719 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(9beta-D-2'-Deoxyribofuranosylpurin-6-yl)glycinamide" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_10272 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28518 ; owl:deprecated true . obo:CHEBI_102720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "SIHQACFNVCTPOW-OLHJXYGRSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14066" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_102721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23+,24-,25+/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-RCTAOEEJSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14067" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_102722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H32ClN3O5" ; chebi:inchi "InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21-,22-,23+,24-/m1/s1" ; chebi:inchikey "QYSMODXJNCJWNA-PBBBXTDZSA-N" ; chebi:mass "502.003" ; chebi:monoisotopicmass "501.20305" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14068" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c33-16-27-29-23(14-21(38-27)15-28(34)31-11-10-18-4-2-1-3-5-18)22-13-20(7-9-24(22)39-29)32-30(35)19-6-8-25-26(12-19)37-17-36-25/h1-9,12-13,21,23,27,29,33H,10-11,14-17H2,(H,31,34)(H,32,35)/t21-,23+,27-,29-/m0/s1" ; chebi:inchikey "WERZBRNJFLNQTM-IOTICUKNSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCCC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14069" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H24N2O4" ; chebi:inchi "InChI=1S/C18H24N2O4/c21-11-16-15(20-18(23)12-6-7-12)9-8-14(24-16)10-17(22)19-13-4-2-1-3-5-13/h1-5,12,14-16,21H,6-11H2,(H,19,22)(H,20,23)/t14-,15-,16-/m0/s1" ; chebi:inchikey "SOYBDXBXTZOLGY-JYJNAYRXSA-N" ; chebi:mass "332.395" ; chebi:monoisotopicmass "332.17361" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14070" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide" . obo:CHEBI_102725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H27FN2O6" ; chebi:inchi "InChI=1S/C24H27FN2O6/c1-31-13-23(30)27-15-6-7-20-17(8-15)18-9-16(32-21(12-28)24(18)33-20)10-22(29)26-11-14-4-2-3-5-19(14)25/h2-8,16,18,21,24,28H,9-13H2,1H3,(H,26,29)(H,27,30)/t16-,18-,21-,24+/m0/s1" ; chebi:inchikey "QLCUJBUUXYDXPU-QFEHNZAHSA-N" ; chebi:mass "458.480" ; chebi:monoisotopicmass "458.18531" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-14071" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22-,27-,29+/m1/s1" ; chebi:inchikey "IQCMSFSSZNINGU-VHGAITISSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14072" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C23H26F3N3O3" ; chebi:inchi "InChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m1/s1" ; chebi:inchikey "LSVFVIWAXGKISN-IZBJGVDFSA-N" ; chebi:mass "449.467" ; chebi:monoisotopicmass "449.19263" ; chebi:smiles "CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14073" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N5O5S" ; chebi:inchi "InChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "NRKUZRFIJSCRHL-IPVFLDMMSA-N" ; chebi:mass "579.713" ; chebi:monoisotopicmass "579.25154" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14074" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14074" . obo:CHEBI_102729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c1-6-25(31)30-15-18(2)24(34-5)16-29(4)27(33)22-13-12-21(14-23(22)35-17-19(30)3)28-26(32)20-10-8-7-9-11-20/h7-14,18-19,24H,6,15-17H2,1-5H3,(H,28,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "OTFQVXLKCTXKNS-YDIMBITNSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14075" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_10273 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15902 ; owl:deprecated true . obo:CHEBI_102730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H25N3O5S" ; chebi:inchi "InChI=1S/C21H25N3O5S/c1-13-6-4-7-14(10-13)30(28,29)24-17-11-23-16(8-5-9-18(23)26)20(24)19(15(17)12-25)21(27)22(2)3/h4-10,15,17,19-20,25H,11-12H2,1-3H3/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "DIVLOMPALFPCBT-BEKAIBRUSA-N" ; chebi:mass "431.507" ; chebi:monoisotopicmass "431.15149" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14076" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14076" . obo:CHEBI_102731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20+/m0/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-RZQQEMMASA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasDbXref "LINCS:LSM-14077" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30FN3O6S" ; chebi:inchi "InChI=1S/C21H30FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-7,16,18-19,24,26H,3,8-15H2,(H,23,27)/t16-,18-,19-/m1/s1" ; chebi:inchikey "XLDWFJCTUAPIOT-BHIYHBOVSA-N" ; chebi:mass "471.545" ; chebi:monoisotopicmass "471.18394" ; chebi:smiles "C1COCCN1CCCNC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-14078" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,3R,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_102733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H35N3O6S" ; chebi:inchi "InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "NZYQBFQVYSNMPI-PHVLTXCSSA-N" ; chebi:mass "553.672" ; chebi:monoisotopicmass "553.22466" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14079" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide" . obo:CHEBI_102734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C22H28ClN3O4S" ; chebi:inchi "InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m1/s1" ; chebi:inchikey "VRNJYJIECLSBHX-LFGUQSLTSA-N" ; chebi:mass "465.995" ; chebi:monoisotopicmass "465.14891" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14080" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_102735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O3S" ; chebi:inchi "InChI=1S/C27H35N3O3S/c1-5-28-26(32)22-16-21-17-30(34(33)27(2,3)4)23(13-14-31)24(21)25(29-22)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,5-7,10,13-14,17H2,1-4H3,(H,28,32)/t23-,34-/m0/s1" ; chebi:inchikey "YCIQMCUMVSMOGA-HUBRWUETSA-N" ; chebi:mass "481.652" ; chebi:monoisotopicmass "481.23991" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC(=CC=C3)C4=CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14081" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24-,26+,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-PXEJVSPGSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14082" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O8S" ; chebi:inchi "InChI=1S/C27H35N3O8S/c1-6-39(33,34)28-20-8-10-22-21(12-20)27(32)29(4)14-25(35-5)17(2)13-30(18(3)15-36-22)26(31)19-7-9-23-24(11-19)38-16-37-23/h7-12,17-18,25,28H,6,13-16H2,1-5H3/t17-,18+,25-/m1/s1" ; chebi:inchikey "UZJARJIYRQCXCT-FUMQJTLXSA-N" ; chebi:mass "561.649" ; chebi:monoisotopicmass "561.21449" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=CC4=C(C=C3)OCO4)C" ; oboInOwl:hasDbXref "LINCS:LSM-14083" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-[1,3-benzodioxol-5-yl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C12H25N3O3" ; chebi:inchi "InChI=1S/C12H25N3O3/c1-8(2)14-12(17)15-10-4-3-9(5-6-13)18-11(10)7-16/h8-11,16H,3-7,13H2,1-2H3,(H2,14,15,17)/t9-,10+,11+/m1/s1" ; chebi:inchikey "RKCCKXKETMZMSY-VWYCJHECSA-N" ; chebi:mass "259.346" ; chebi:monoisotopicmass "259.18959" ; chebi:smiles "CC(C)NC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CCN" ; oboInOwl:hasDbXref "LINCS:LSM-14084" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea" . obo:CHEBI_102739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21-/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-LDBYXDLTSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@@H]([C@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14085" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S,3S,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_10274 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36615 ; chebi:charge "0" ; chebi:formula "C30H48O3" ; chebi:inchi "InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1" ; chebi:inchikey "NBSBUIQBEPROBM-IMJUUJEHSA-N" ; chebi:mass "456.701" ; chebi:monoisotopicmass "456.36035" ; chebi:smiles "CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(O)=O" ; oboInOwl:hasDbXref "CAS:28282-27-1" ; oboInOwl:hasDbXref "KEGG:C08623" ; oboInOwl:hasDbXref "KNApSAcK:C00003744" ; oboInOwl:hasExactSynonym "alpha-Elemolic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10274" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Elemolic acid" . _:b1745 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10274 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:28282-27-1" ; rdfs:label "KEGG COMPOUND" . _:b1746 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10274 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Elemolic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23-,25-,27+/m1/s1" ; chebi:inchikey "ISBRQPNQXSURAN-ACIXWCJESA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14086" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(18(3)31)17(2)15-35-23-11-10-19(28-25(32)20-8-6-7-9-22(20)27)12-21(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,32)/t16-,17+,24-/m0/s1" ; chebi:inchikey "MJQDMCPXEXXQJL-SRGWNRLKSA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide" . obo:CHEBI_102742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C21H29N3O4" ; chebi:inchi "InChI=1S/C21H29N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-8,13,16-19,25H,9-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19-/m0/s1" ; chebi:inchikey "PBTCYEHOLZFKGG-OTWHNJEPSA-N" ; chebi:mass "387.473" ; chebi:monoisotopicmass "387.21581" ; chebi:smiles "CC(C)NC(=O)N[C@@H]1C=C[C@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2" ; oboInOwl:hasDbXref "LINCS:LSM-14088" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15+,19-/m1/s1" ; chebi:inchikey "GUZASBNVYSIPQO-ZRGWGRIASA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14089" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_102744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m1/s1" ; chebi:inchikey "MOISLORHFJLABX-FALQBERWSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14090" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H39N3O6" ; chebi:inchi "InChI=1S/C33H39N3O6/c1-22-18-36(31(37)21-40-4)23(2)20-42-29-16-15-27(17-28(29)33(39)35(3)19-30(22)41-5)34-32(38)26-13-11-25(12-14-26)24-9-7-6-8-10-24/h6-17,22-23,30H,18-21H2,1-5H3,(H,34,38)/t22-,23-,30-/m1/s1" ; chebi:inchikey "RAFMLKNPZZMZRA-IQLGONJTSA-N" ; chebi:mass "573.681" ; chebi:monoisotopicmass "573.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14091" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide" . obo:CHEBI_102746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-29-24-21(15-30-23(24)12-11-20(27(30)33)18-8-4-5-9-18)22(16-31)25(29)26(32)28-14-17-7-6-10-19(13-17)34-2/h6-8,10-13,21-22,24-25,31H,3-5,9,14-16H2,1-2H3,(H,28,32)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "NBNQALGKJVWNKP-YQIMAOPZSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@H]([C@@H]1C(=O)NCC5=CC(=CC=C5)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14092" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-1-ethyl-3-(hydroxymethyl)-N-[(3-methoxyphenyl)methyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18-,19+/m0/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-GBESFXJTSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14093" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_102748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c26-25(27,28)8-13-31-20-14-32-19(5-4-17(23(32)34)16-6-9-29-10-7-16)22(31)21(18(20)15-33)24(35)30-11-2-1-3-12-30/h4-7,9-10,18,20-22,33H,1-3,8,11-15H2/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "DKHQAGHBVQSALK-YJMBLLCNSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]2N3CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14094" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14094" . obo:CHEBI_102749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H31N3O7S" ; chebi:inchi "InChI=1S/C21H31N3O7S/c1-4-32(27,28)23-14-5-8-18-16(11-14)21(26)24(2)17-7-6-15(31-19(17)13-30-18)12-20(25)22-9-10-29-3/h5,8,11,15,17,19,23H,4,6-7,9-10,12-13H2,1-3H3,(H,22,25)/t15-,17+,19-/m1/s1" ; chebi:inchikey "RVSYYJUWHXUHRD-HHXXYDBFSA-N" ; chebi:mass "469.554" ; chebi:monoisotopicmass "469.18827" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCCOC)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14095" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_10275 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38382 ; obo:IAO_0000115 "A conjugated linolenic acid having three fully-conjugated double bonds at positions 9, 11 and 13, in cis, trans and trans configurations, respectively." ; chebi:charge "0" ; chebi:formula "C18H30O2" ; chebi:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-" ; chebi:inchikey "CUXYLFPMQMFGPL-WPOADVJFSA-N" ; chebi:mass "278.42960" ; chebi:monoisotopicmass "278.22458" ; chebi:smiles "CCCC\\C=C\\C=C\\C=C/CCCCCCCC(O)=O" ; oboInOwl:hasDbXref "Beilstein:1726551" ; oboInOwl:hasDbXref "CAS:506-23-0" ; oboInOwl:hasDbXref "KEGG:C08315" ; oboInOwl:hasDbXref "KNApSAcK:C00001216" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMFA01030147" ; oboInOwl:hasDbXref "PMID:12396127" ; oboInOwl:hasDbXref "Reaxys:1726551" ; oboInOwl:hasExactSynonym "(9Z,11E,13E)-octadeca-9,11,13-trienoic acid" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(9Z,11E,13E)-9,11,13-Octadecatrienoic acid" ; oboInOwl:hasRelatedSynonym "(9Z,11E,13E)-Octadecatrienoic acid" ; oboInOwl:hasRelatedSynonym "(Z,E,E)-octadeca-9,11,13-trienoic acid" ; oboInOwl:hasRelatedSynonym "9-cis,11-trans,13-trans-octadecatrienoic acid" ; oboInOwl:hasRelatedSynonym "9c,11t,13t-CLnA" ; oboInOwl:hasRelatedSynonym "9c11t13t-18:3" ; oboInOwl:hasRelatedSynonym "9cis,11trans,13trans-octadecatrienoic acid" ; oboInOwl:hasRelatedSynonym "ELA" ; oboInOwl:hasRelatedSynonym "alpha-ELA" ; oboInOwl:hasRelatedSynonym "alpha-ESA" ; oboInOwl:hasRelatedSynonym "alpha-Eleostearic acid" ; oboInOwl:hasRelatedSynonym "alpha-eleostearic acid" ; oboInOwl:hasRelatedSynonym "c9,t11,t13-CLnA" ; oboInOwl:hasRelatedSynonym "c9,t11,t13-linolenic acid" ; oboInOwl:hasRelatedSynonym "elaeostearic acid" ; oboInOwl:id "CHEBI:10275" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(9Z,11E,13E)-octadeca-9,11,13-trienoic acid" . _:b1747 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1726551" ; rdfs:label "Beilstein" . _:b1748 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:506-23-0" ; rdfs:label "KEGG COMPOUND" . _:b1749 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMFA01030147" ; rdfs:label "LIPID MAPS" . _:b1750 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12396127" ; rdfs:label "Europe PMC" . _:b1751 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1726551" ; rdfs:label "Reaxys" . _:b1752 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(9Z,11E,13E)-octadeca-9,11,13-trienoic acid" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1753 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(9Z,11E,13E)-9,11,13-Octadecatrienoic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1754 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(9Z,11E,13E)-Octadecatrienoic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1755 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(Z,E,E)-octadeca-9,11,13-trienoic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1756 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "9-cis,11-trans,13-trans-octadecatrienoic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1757 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "9c,11t,13t-CLnA" ; oboInOwl:hasDbXref "ChEBI" . _:b1758 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "9c11t13t-18:3" ; oboInOwl:hasDbXref "ChEBI" . _:b1759 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "9cis,11trans,13trans-octadecatrienoic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1760 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "ELA" ; oboInOwl:hasDbXref "ChEBI" . _:b1761 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-ELA" ; oboInOwl:hasDbXref "ChEBI" . _:b1762 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-ESA" ; oboInOwl:hasDbXref "ChEBI" . _:b1763 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Eleostearic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1764 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-eleostearic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1765 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "c9,t11,t13-CLnA" ; oboInOwl:hasDbXref "ChEBI" . _:b1766 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "c9,t11,t13-linolenic acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1767 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10275 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "elaeostearic acid" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-2-12-29-27(36)32-23-20(21(16-33)24(32)26(35)30-13-4-3-5-14-30)15-31-22(23)11-10-19(25(31)34)17-6-8-18(28)9-7-17/h6-11,20-21,23-24,33H,2-5,12-16H2,1H3,(H,29,36)/t20-,21-,23+,24-/m1/s1" ; chebi:inchikey "VKYOLVDQZLNZRC-CJTFWIGWSA-N" ; 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oboInOwl:hasDbXref "LINCS:LSM-14097" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14097" . obo:CHEBI_102752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-13-12-22(16-28(35)32-17-20-9-5-6-10-24(20)31)39-27(25)18-38-26-14-11-21(15-23(26)30(34)37)33-29(36)19-7-3-2-4-8-19/h5-6,9-11,14-15,19,22,25,27H,2-4,7-8,12-13,16-18H2,1H3,(H,32,35)(H,33,36)/t22-,25-,27+/m0/s1" ; chebi:inchikey "CEZHWMAQWNYMAY-RIACCQAKSA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-14098" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide" . obo:CHEBI_102753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H28N6O4" ; chebi:inchi "InChI=1S/C25H28N6O4/c1-29-12-17(27-15-29)10-11-26-24(34)23-19(14-32)18-13-30-20(8-5-9-21(30)33)22(18)31(23)25(35)28-16-6-3-2-4-7-16/h2-9,12,15,18-19,22-23,32H,10-11,13-14H2,1H3,(H,26,34)(H,28,35)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "WOLKNTYXBIJULP-LBVMUVSTSA-N" ; chebi:mass "476.529" ; chebi:monoisotopicmass "476.21720" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14099" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-N2-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-N1-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide" . obo:CHEBI_102754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20-,27-/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-SEXOINJZSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14100" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14100" . obo:CHEBI_102755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27ClN4O4" ; chebi:inchi "InChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19+,20+/m1/s1" ; chebi:inchikey "JTIOTWTUDVMQPE-AABGKKOBSA-N" ; chebi:mass "446.928" ; chebi:monoisotopicmass "446.17208" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14101" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-[(2R,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide" . obo:CHEBI_102756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C35H48N4O4S" ; chebi:inchi "InChI=1S/C35H48N4O4S/c1-35(2,3)44(42)39-25-29-24-30(34(41)36-16-8-17-38-18-21-43-22-19-38)37-33(32(29)31(39)15-20-40)28-14-7-13-27(23-28)12-6-11-26-9-4-5-10-26/h7,13-14,23-24,26,31,40H,4-5,8-11,15-22,25H2,1-3H3,(H,36,41)/t31-,44?/m0/s1" ; chebi:inchikey "OLTIGOGRQNQZFN-RQPUMPGKSA-N" ; chebi:mass "620.847" ; chebi:monoisotopicmass "620.33963" ; chebi:smiles "CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C#CCC4CCCC4)C(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14102" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-tert-butylsulfinyl-4-[3-(3-cyclopentylprop-1-ynyl)phenyl]-3-(2-hydroxyethyl)-N-[3-(4-morpholinyl)propyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18+,23+/m0/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-YZZKKUAISA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14103" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20-,21-/m0/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-MTOHEIAKSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14104" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-OHUGHZGNSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14105" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14105" . obo:CHEBI_10276 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23943 . _:b1768 rdf:type owl:Restriction . obo:CHEBI_10276 rdfs:subClassOf _:b1768 . _:b1768 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36185 . obo:CHEBI_10276 obo:IAO_0000115 "Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine." ; chebi:charge "0" ; chebi:formula "C32H41N5O5" ; chebi:inchi "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1" ; chebi:inchikey "YDOTUXAWKBPQJW-NSLWYYNWSA-N" ; chebi:mass "575.69840" ; chebi:monoisotopicmass "575.31077" ; chebi:smiles "[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34" ; oboInOwl:hasDbXref "Beilstein:78810" ; oboInOwl:hasDbXref "CAS:511-09-1" ; oboInOwl:hasDbXref "Drug_Central:885" ; oboInOwl:hasDbXref "KEGG:C07545" ; oboInOwl:hasDbXref "KNApSAcK:C00001721" ; oboInOwl:hasDbXref "LINCS:LSM-3664" ; oboInOwl:hasDbXref "Patent:US2447214" ; oboInOwl:hasExactSynonym "12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman" ; oboInOwl:hasExactSynonym "alpha-Ergocryptine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione" ; oboInOwl:hasRelatedSynonym "12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione" ; oboInOwl:id "CHEBI:10276" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-ergocryptine" . _:b1769 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:78810" ; rdfs:label "Beilstein" . _:b1770 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:511-09-1" ; rdfs:label "ChemIDplus" . _:b1771 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:511-09-1" ; rdfs:label "KEGG COMPOUND" . _:b1772 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:885" ; rdfs:label "DrugCentral" . _:b1773 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1774 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Ergocryptine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1775 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1776 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10276 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29FN2O5" ; chebi:inchi "InChI=1S/C26H29FN2O5/c27-17-6-1-3-15(9-17)13-28-24(31)12-19-11-21-20-10-18(29-26(32)16-4-2-5-16)7-8-22(20)34-25(21)23(14-30)33-19/h1,3,6-10,16,19,21,23,25,30H,2,4-5,11-14H2,(H,28,31)(H,29,32)/t19-,21+,23+,25-/m0/s1" ; chebi:inchikey "OPNBGVGHIKRRPP-VUHNXCBZSA-N" ; chebi:mass "468.518" ; chebi:monoisotopicmass "468.20605" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-14106" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-MBDNFAEBSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14107" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H41N3O6" ; chebi:inchi "InChI=1S/C29H41N3O6/c1-32-24-9-8-22(16-27(33)30-17-19-5-3-2-4-6-19)38-26(24)18-37-25-10-7-21(15-23(25)29(32)35)31-28(34)20-11-13-36-14-12-20/h7,10,15,19-20,22,24,26H,2-6,8-9,11-14,16-18H2,1H3,(H,30,33)(H,31,34)/t22-,24-,26-/m1/s1" ; chebi:inchikey "JZXYXAGICCVVHG-QIGHUWCUSA-N" ; chebi:mass "527.653" ; chebi:monoisotopicmass "527.29954" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14108" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H36FN3O3S" ; chebi:inchi "InChI=1S/C31H36FN3O3S/c1-31(2,3)39(38)35-20-24-19-26(30(37)34-15-5-4-6-16-34)33-29(28(24)27(35)14-17-36)23-9-7-8-22(18-23)21-10-12-25(32)13-11-21/h7-13,18-19,27,36H,4-6,14-17,20H2,1-3H3/t27-,39-/m1/s1" ; chebi:inchikey "OMSQUWKQKRPVCL-GAZSAWIUSA-N" ; chebi:mass "549.701" ; chebi:monoisotopicmass "549.24614" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14109" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(1-piperidinyl)methanone" . obo:CHEBI_102764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22+,24-/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-FJIJXJHWSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14110" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H34N2O4" ; chebi:inchi "InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25-/m1/s1" ; chebi:inchikey "GOHLAUSVLSRLLT-HHJKRLRDSA-N" ; chebi:mass "450.571" ; chebi:monoisotopicmass "450.25186" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14111" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14111" . obo:CHEBI_102766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C27H30Cl2N2O5" ; chebi:inchi "InChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "RFSVTUPSJXWLCE-OJJQZRKESA-N" ; chebi:mass "533.444" ; chebi:monoisotopicmass "532.15318" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-14112" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_102767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H26F3N5O4" ; chebi:inchi "InChI=1S/C20H26F3N5O4/c1-31-12-15-10-28(27-26-15)9-8-16-6-7-17(18(11-29)32-16)25-19(30)24-14-4-2-13(3-5-14)20(21,22)23/h2-5,10,16-18,29H,6-9,11-12H2,1H3,(H2,24,25,30)/t16-,17-,18-/m0/s1" ; chebi:inchikey "ZOURSNKVQGBTHH-BZSNNMDCSA-N" ; chebi:mass "457.448" ; chebi:monoisotopicmass "457.19369" ; chebi:smiles "COCC1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14113" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_102768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H35N3O4" ; chebi:inchi "InChI=1S/C25H35N3O4/c1-26(2)25(31)22-19(15-29)21-14-28-20(8-7-18(24(28)30)17-5-3-4-6-17)23(22)27(21)13-16-9-11-32-12-10-16/h5,7-8,16,19,21-23,29H,3-4,6,9-15H2,1-2H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "GAIIVBPAQZZTRV-KZKAQZJJSA-N" ; chebi:mass "441.564" ; chebi:monoisotopicmass "441.26276" ; chebi:smiles "CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1N2CC5CCOCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14114" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14114" . obo:CHEBI_102769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C36H40N4O4S" ; chebi:inchi "InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1" ; chebi:inchikey "WJAYFAVILWHXQO-OJFHYHFNSA-N" ; chebi:mass "624.795" ; chebi:monoisotopicmass "624.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14115" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_10277 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27674 ; owl:deprecated true . obo:CHEBI_102770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c32-17-24-26-22(14-20(35-24)15-25(33)29-9-12-31-10-2-1-3-11-31)21-13-19(6-7-23(21)36-26)30-27(34)18-5-4-8-28-16-18/h4-8,13,16,20,22,24,26,32H,1-3,9-12,14-15,17H2,(H,29,33)(H,30,34)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "SWOCEPZEXMNKQZ-GRTAZNFBSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14116" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-TYPXCFOJSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14117" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14117" . obo:CHEBI_102772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H34N2O6" ; chebi:inchi "InChI=1S/C31H34N2O6/c34-25-17-33(16-21-6-13-28-29(14-21)38-20-37-28)27-12-11-26(39-30(27)19-36-18-25)15-31(35)32-24-9-7-23(8-10-24)22-4-2-1-3-5-22/h1-10,13-14,25-27,30,34H,11-12,15-20H2,(H,32,35)/t25-,26+,27-,30+/m0/s1" ; chebi:inchikey "OJBHRHOQEWVARJ-DEJVGURISA-N" ; chebi:mass "530.613" ; chebi:monoisotopicmass "530.24169" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC4=C(C=C3)OCO4)O)O[C@H]1CC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14118" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16-,19-/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-GPMSIDNRSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14119" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35N3O6" ; chebi:inchi "InChI=1S/C27H35N3O6/c1-17-14-30(19(3)31)18(2)16-36-24-13-20(28-26(32)21-9-7-8-10-23(21)34-5)11-12-22(24)27(33)29(4)15-25(17)35-6/h7-13,17-18,25H,14-16H2,1-6H3,(H,28,32)/t17-,18-,25-/m0/s1" ; chebi:inchikey "NNPXJSNOAUXSRD-RPPIVITFSA-N" ; chebi:mass "497.584" ; chebi:monoisotopicmass "497.25259" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14120" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide" . obo:CHEBI_102775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-23(2)20(26)10-17-7-8-18-19(30-17)13-29-12-15(25)11-24(18)21(27)22-14-5-4-6-16(9-14)28-3/h4-6,9,15,17-19,25H,7-8,10-13H2,1-3H3,(H,22,27)/t15-,17+,18+,19-/m0/s1" ; chebi:inchikey "SSPYWNJKRFMGCQ-AITUJVMLSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)NC3=CC(=CC=C3)OC)O" ; oboInOwl:hasDbXref "LINCS:LSM-14121" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23-/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-SEPYTNNBSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14122" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H29N3O6" ; chebi:inchi "InChI=1S/C28H29N3O6/c1-35-23-7-3-2-5-17(23)15-30-26(33)13-20-12-22-21-11-19(31-28(34)18-6-4-10-29-14-18)8-9-24(21)37-27(22)25(16-32)36-20/h2-11,14,20,22,25,27,32H,12-13,15-16H2,1H3,(H,30,33)(H,31,34)/t20-,22+,25+,27-/m0/s1" ; chebi:inchikey "FJJBSMMGLKBUIQ-JBGAWVPVSA-N" ; chebi:mass "503.547" ; chebi:monoisotopicmass "503.20564" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14123" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_102778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H37FN4O6S" ; chebi:inchi "InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27+/m1/s1" ; chebi:inchikey "TUUZOQPHVDGSNW-PWMMPXSUSA-N" ; chebi:mass "588.693" ; chebi:monoisotopicmass "588.24178" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14124" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28FN3O6" ; chebi:inchi "InChI=1S/C25H28FN3O6/c26-19-3-1-2-4-20(19)28-25(32)27-15-5-6-21-17(11-15)18-12-16(34-22(14-30)24(18)35-21)13-23(31)29-7-9-33-10-8-29/h1-6,11,16,18,22,24,30H,7-10,12-14H2,(H2,27,28,32)/t16-,18+,22-,24-/m0/s1" ; chebi:inchikey "RREKHFLFIWGNNG-YDGOEMPPSA-N" ; chebi:mass "485.506" ; chebi:monoisotopicmass "485.19621" ; chebi:smiles "C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-14125" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(2-fluorophenyl)urea" . obo:CHEBI_10278 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_138397 ; rdfs:subClassOf obo:CHEBI_26878 ; rdfs:subClassOf obo:CHEBI_62508 . _:b1777 rdf:type owl:Restriction . obo:CHEBI_10278 rdfs:subClassOf _:b1777 . _:b1777 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_27311 . obo:CHEBI_10278 obo:IAO_0000115 "A eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4." ; chebi:charge "0" ; chebi:formula "C15H26O" ; chebi:inchi "InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1" ; chebi:inchikey "FCSRUSQUAVXUKK-VNHYZAJKSA-N" ; chebi:mass "222.36630" ; chebi:monoisotopicmass "222.19837" ; chebi:smiles "[H][C@@]12C[C@@H](CC[C@@]1(C)CCC=C2C)C(C)(C)O" ; oboInOwl:hasDbXref "CAS:473-16-5" ; oboInOwl:hasDbXref "KEGG:C09663" ; oboInOwl:hasDbXref "KNApSAcK:C00000163" ; oboInOwl:hasDbXref "Reaxys:2329028" ; oboInOwl:hasExactSynonym "2-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol" ; oboInOwl:hasExactSynonym "alpha-Eudesmol" ; oboInOwl:hasExactSynonym "alpha-eudesmol" ; oboInOwl:hasExactSynonym "eudesm-3-en-11-ol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(2R,4aR,8aR)-1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol" ; oboInOwl:id "CHEBI:10278" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-eudesmol" . _:b1778 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:473-16-5" ; rdfs:label "ChemIDplus" . _:b1779 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:473-16-5" ; rdfs:label "KEGG COMPOUND" . _:b1780 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2329028" ; rdfs:label "Reaxys" . _:b1781 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2-[(2R,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1782 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Eudesmol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1783 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-eudesmol" ; oboInOwl:hasDbXref "UniProt" . _:b1784 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "eudesm-3-en-11-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1785 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10278 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(2R,4aR,8aR)-1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_102780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-15-12-25(3)16(2)14-30-20-10-9-18(24-22(27)17-7-6-8-17)11-19(20)23(28)26(4)13-21(15)29-5/h9-11,15-17,21H,6-8,12-14H2,1-5H3,(H,24,27)/t15-,16+,21+/m1/s1" ; chebi:inchikey "IMTXHMNNEPVREU-XFQAVAEZSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14126" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C34H36F2N4O5" ; chebi:inchi "InChI=1S/C34H36F2N4O5/c1-39-29-11-9-25(17-32(41)37-24-13-14-40(19-24)18-21-5-3-2-4-6-21)45-31(29)20-44-30-12-8-23(16-26(30)34(39)43)38-33(42)22-7-10-27(35)28(36)15-22/h2-8,10,12,15-16,24-25,29,31H,9,11,13-14,17-20H2,1H3,(H,37,41)(H,38,42)/t24-,25-,29+,31+/m1/s1" ; chebi:inchikey "UWMJOJNRDSZDAZ-JUTMGGSISA-N" ; chebi:mass "618.672" ; chebi:monoisotopicmass "618.26538" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14127" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_102782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H24ClN3O5S" ; chebi:inchi "InChI=1S/C20H24ClN3O5S/c21-14-4-7-16(8-5-14)30(27,28)23-12-10-15-6-9-17(19(13-25)29-15)24-20(26)18-3-1-2-11-22-18/h1-5,7-8,11,15,17,19,23,25H,6,9-10,12-13H2,(H,24,26)/t15-,17-,19+/m0/s1" ; chebi:inchikey "VBSGUKREVIUPDG-VDZJLULYSA-N" ; chebi:mass "453.941" ; chebi:monoisotopicmass "453.11252" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-14128" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_102783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-QLVXXPONSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14129" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14129" . obo:CHEBI_102784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18-,19+/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-YTQUADARSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14130" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H34N6O4S" ; chebi:inchi "InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26-/m0/s1" ; chebi:inchikey "AMMFZKQUXZGGMQ-DYLHXGEVSA-N" ; chebi:mass "574.696" ; chebi:monoisotopicmass "574.23622" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14131" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide" . obo:CHEBI_102786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H34N4O5" ; chebi:inchi "InChI=1S/C26H34N4O5/c1-17-14-30(25(32)13-20-8-6-7-11-27-20)18(2)16-35-23-12-21(28-19(3)31)9-10-22(23)26(33)29(4)15-24(17)34-5/h6-12,17-18,24H,13-16H2,1-5H3,(H,28,31)/t17-,18+,24-/m0/s1" ; chebi:inchikey "CZFNYPFIGBHAGJ-RHGYRFJNSA-N" ; chebi:mass "482.573" ; chebi:monoisotopicmass "482.25292" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-14132" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_102787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18+/m0/s1" ; chebi:inchikey "VZLRHERICGIZBB-RCCFBDPRSA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14133" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_102788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18-,23+/m1/s1" ; chebi:inchikey "REZGKQRSIIUNQT-PNCHPQGNSA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14134" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_102789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H28FN5O3" ; chebi:inchi "InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17-,19-/m1/s1" ; chebi:inchikey "BSYBIQMXMHXRRQ-ZHALLVOQSA-N" ; chebi:mass "405.467" ; chebi:monoisotopicmass "405.21762" ; chebi:smiles "CCCNC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14135" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea" . obo:CHEBI_102790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36N4O4" ; chebi:inchi "InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "BXWHKXPVJGEBOL-VPYPWEPUSA-N" ; chebi:mass "540.654" ; chebi:monoisotopicmass "540.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14136" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14136" . obo:CHEBI_102791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-12-18(24)22-16(9-20)19(17(22)11-23)14-6-4-13(5-7-14)15-3-2-8-21-10-15/h2-8,10,16-17,19,23H,11-12H2,1H3/t16-,17-,19-/m0/s1" ; chebi:inchikey "NONDGOMIDWLUNU-LNLFQRSKSA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COCC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14137" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_102792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H30F2N4O4" ; chebi:inchi "InChI=1S/C24H30F2N4O4/c1-14-11-27-15(2)13-34-21-8-6-17(10-18(21)23(31)30(3)12-22(14)33-4)28-24(32)29-20-9-16(25)5-7-19(20)26/h5-10,14-15,22,27H,11-13H2,1-4H3,(H2,28,29,32)/t14-,15-,22-/m0/s1" ; chebi:inchikey "KJNJKXAQFIYZGQ-DFFLPILJSA-N" ; chebi:mass "476.517" ; chebi:monoisotopicmass "476.22351" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14138" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C32H37N3O6" ; chebi:inchi "InChI=1S/C32H37N3O6/c1-21-18-35(23(3)36)22(2)20-40-29-16-13-25(17-28(29)32(38)34(4)19-30(21)39-5)33-31(37)24-11-14-27(15-12-24)41-26-9-7-6-8-10-26/h6-17,21-22,30H,18-20H2,1-5H3,(H,33,37)/t21-,22-,30-/m1/s1" ; chebi:inchikey "JEUTXNUWCDUCFH-NPKFRGRUSA-N" ; chebi:mass "559.654" ; chebi:monoisotopicmass "559.26824" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C)C(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14139" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzamide" . obo:CHEBI_102794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H32FN3O3S" ; chebi:inchi "InChI=1S/C28H32FN3O3S/c1-5-30-27(34)23-16-21-17-32(36(35)28(2,3)4)24(12-13-33)25(21)26(31-23)20-10-6-8-18(14-20)19-9-7-11-22(29)15-19/h6-11,14-16,24,33H,5,12-13,17H2,1-4H3,(H,30,34)/t24-,36-/m0/s1" ; chebi:inchikey "NQAKFRRPCXCRFS-TVYQXRCNSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.21484" ; chebi:smiles "CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14140" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1786 rdf:type owl:Restriction . obo:CHEBI_102795 rdfs:subClassOf _:b1786 . _:b1786 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_102795 chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-18(20-10-6-3-7-11-20)29-27(33)25-22(17-32)23-16-31-24(26(25)30-23)15-14-21(28(31)34)13-12-19-8-4-2-5-9-19/h2-15,18,22-23,25-26,30,32H,16-17H2,1H3,(H,29,33)/t18-,22+,23+,25-,26-/m0/s1" ; chebi:inchikey "FIIWKRFZHSLQJE-TXXKVYMASA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]2N3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14141" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14141" . obo:CHEBI_102796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19+/m0/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-FRQCXROJSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14142" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H27ClF3N3O5" ; chebi:inchi "InChI=1S/C29H27ClF3N3O5/c30-18-5-1-16(2-6-18)14-34-26(38)13-21-12-23-22-11-20(9-10-24(22)41-27(23)25(15-37)40-21)36-28(39)35-19-7-3-17(4-8-19)29(31,32)33/h1-11,21,23,25,27,37H,12-15H2,(H,34,38)(H2,35,36,39)/t21-,23-,25-,27+/m1/s1" ; chebi:inchikey "QUFPSNAFNYGAMM-UFUIAINPSA-N" ; chebi:mass "589.991" ; chebi:monoisotopicmass "589.15913" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14143" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18-,20-/m0/s1" ; chebi:inchikey "APKXKRHWPGHKNH-BJLQDIEVSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14144" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_102799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H24FN3O6S" ; chebi:inchi "InChI=1S/C22H24FN3O6S/c23-15-4-1-2-6-18(15)33(30,31)26-17-12-25-16(5-3-7-19(25)28)21(26)20(14(17)13-27)22(29)24-8-10-32-11-9-24/h1-7,14,17,20-21,27H,8-13H2/t14-,17-,20+,21+/m0/s1" ; chebi:inchikey "YMYITTQDNPCSPN-JGMDCFHESA-N" ; chebi:mass "477.508" ; chebi:monoisotopicmass "477.13698" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3S(=O)(=O)C5=CC=CC=C5F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14145" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14145" . obo:CHEBI_1028 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16413 ; owl:deprecated true . obo:CHEBI_10280 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39236 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+" ; chebi:inchikey "CXENHBSYCFFKJS-VDQVFBMKSA-N" ; chebi:mass "204.35106" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)=CCC\\C(C)=C\\C\\C=C(/C)C=C" ; oboInOwl:hasDbXref "Beilstein:1840984" ; oboInOwl:hasDbXref "CAS:502-61-4" ; oboInOwl:hasDbXref "KEGG:C09665" ; oboInOwl:hasDbXref "KNApSAcK:C00003130" ; oboInOwl:hasExactSynonym "(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene" ; oboInOwl:hasExactSynonym "(E,E)-alpha-farnesene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(3E,6E)-alpha-farnesene" ; oboInOwl:id "CHEBI:10280" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(E,E)-alpha-farnesene" . _:b1787 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1840984" ; rdfs:label "Beilstein" . _:b1788 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:502-61-4" ; rdfs:label "KEGG COMPOUND" . _:b1789 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:502-61-4" ; rdfs:label "NIST Chemistry WebBook" . _:b1790 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1791 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(E,E)-alpha-farnesene" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1792 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10280 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(3E,6E)-alpha-farnesene" ; oboInOwl:hasDbXref "UniProt" . obo:CHEBI_102800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34FN3O3S" ; chebi:inchi "InChI=1S/C29H34FN3O3S/c1-5-14-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(13-15-34)26(22)27(32-24)21-8-6-7-20(16-21)19-9-11-23(30)12-10-19/h6-12,16-17,25,34H,5,13-15,18H2,1-4H3,(H,31,35)/t25-,37-/m1/s1" ; chebi:inchikey "HVPPUANJBVTFMA-TWEZTRHFSA-N" ; chebi:mass "523.664" ; chebi:monoisotopicmass "523.23049" ; chebi:smiles "CCCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14146" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN2O6S2" ; chebi:inchi "InChI=1S/C21H27FN2O6S2/c22-17-6-9-19(10-7-17)32(28,29)24-20-11-8-18(30-21(20)14-25)12-13-23-31(26,27)15-16-4-2-1-3-5-16/h1-7,9-10,18,20-21,23-25H,8,11-15H2/t18-,20+,21+/m0/s1" ; chebi:inchikey "ZTKNNPSVJPUDLJ-CEWLAPEOSA-N" ; chebi:mass "486.580" ; chebi:monoisotopicmass "486.12946" ; chebi:smiles "C1C[C@H]([C@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14147" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H37N3O5S" ; chebi:inchi "InChI=1S/C26H37N3O5S/c1-6-14-29-16-19(2)25(33-5)17-28(4)26(30)23-15-21(12-13-24(23)34-18-20(29)3)27-35(31,32)22-10-8-7-9-11-22/h7-13,15,19-20,25,27H,6,14,16-18H2,1-5H3/t19-,20-,25+/m0/s1" ; chebi:inchikey "HWYKCLATECFWDF-ZYLNGJIFSA-N" ; chebi:mass "503.656" ; chebi:monoisotopicmass "503.24539" ; chebi:smiles "CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14148" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_102803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32FN3O5S" ; chebi:inchi "InChI=1S/C23H32FN3O5S/c1-17(22(32-4)15-26(3)33(30,31)19-10-6-5-7-11-19)14-27(18(2)16-28)23(29)25-21-13-9-8-12-20(21)24/h5-13,17-18,22,28H,14-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1" ; chebi:inchikey "PETXHQBGDUFNPW-HMFYCAOWSA-N" ; chebi:mass "481.583" ; chebi:monoisotopicmass "481.20467" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14149" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C25H37FN2O4" ; chebi:inchi "InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "CEWCLCSAKAWIOS-JLLPCOHGSA-N" ; chebi:mass "448.572" ; chebi:monoisotopicmass "448.27374" ; chebi:smiles "C1CCC(CC1)CN2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14150" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30N2O7S" ; chebi:inchi "InChI=1S/C25H30N2O7S/c1-32-17-5-7-19(8-6-17)35(30,31)27-16-4-9-22-20(10-16)21-11-18(33-23(14-28)25(21)34-22)12-24(29)26-13-15-2-3-15/h4-10,15,18,21,23,25,27-28H,2-3,11-14H2,1H3,(H,26,29)/t18-,21+,23+,25-/m1/s1" ; chebi:inchikey "UYFCGOQSYKFWAJ-PEHPGLIYSA-N" ; chebi:mass "502.582" ; chebi:monoisotopicmass "502.17737" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-14151" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H30N2O7" ; chebi:inchi "InChI=1S/C29H30N2O7/c32-17-27-24(31-29(34)20-8-13-25-26(14-20)36-18-35-25)12-11-23(38-27)15-28(33)30-16-19-6-9-22(10-7-19)37-21-4-2-1-3-5-21/h1-10,13-14,23-24,27,32H,11-12,15-18H2,(H,30,33)(H,31,34)/t23-,24-,27+/m1/s1" ; chebi:inchikey "IKYPBPDRSBKALY-OASJLCFRSA-N" ; chebi:mass "518.559" ; chebi:monoisotopicmass "518.20530" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-14152" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23+,26-,28+/m0/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-RGBPKTGBSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14153" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23+/m0/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-IUKKYPGJSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14154" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_102809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H29F2N3O6" ; chebi:inchi "InChI=1S/C27H29F2N3O6/c1-31-22-6-4-18(14-25(33)32-8-10-36-11-9-32)38-24(22)15-37-23-7-3-17(13-19(23)27(31)35)30-26(34)16-2-5-20(28)21(29)12-16/h2-3,5,7,12-13,18,22,24H,4,6,8-11,14-15H2,1H3,(H,30,34)/t18-,22+,24+/m1/s1" ; chebi:inchikey "RISZPRWRWDPXQV-OUOWLKGYSA-N" ; chebi:mass "529.533" ; chebi:monoisotopicmass "529.20244" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=C(C=C4)F)F)CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14155" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide" . obo:CHEBI_10281 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28554 ; owl:deprecated true . obo:CHEBI_102810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H28N4O5" ; chebi:inchi "InChI=1S/C27H28N4O5/c1-36-16-23(33)31-22-14-30-21(11-10-19(27(30)35)17-7-3-2-4-8-17)25(31)24(20(22)15-32)26(34)29-13-18-9-5-6-12-28-18/h2-12,20,22,24-25,32H,13-16H2,1H3,(H,29,34)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "YNLXOCAZEKAELA-KAKDDGLXSA-N" ; chebi:mass "488.536" ; chebi:monoisotopicmass "488.20597" ; chebi:smiles "COCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-14156" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14156" . obo:CHEBI_102811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23+,24-/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-YFNKSVMNSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14157" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14157" . obo:CHEBI_102812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H45N3O4" ; chebi:inchi "InChI=1S/C29H45N3O4/c1-20-16-32(17-22-9-6-5-7-10-22)21(2)19-36-26-15-24(30-28(33)23-11-8-12-23)13-14-25(26)29(34)31(3)18-27(20)35-4/h13-15,20-23,27H,5-12,16-19H2,1-4H3,(H,30,33)/t20-,21+,27-/m0/s1" ; chebi:inchikey "ZYUAJIZJWFLNII-ISCCLHIJSA-N" ; chebi:mass "499.686" ; chebi:monoisotopicmass "499.34101" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14158" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide" . obo:CHEBI_102813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C29H39N3O4" ; chebi:inchi "InChI=1S/C29H39N3O4/c1-20-16-32(21(2)18-33)28(34)25-13-8-7-12-24(25)23-11-6-5-10-22(23)19-36-27(20)17-31(4)29(35)26-14-9-15-30(26)3/h5-8,10-13,20-21,26-27,33H,9,14-19H2,1-4H3/t20-,21-,26-,27-/m1/s1" ; chebi:inchikey "PIMBJQHAALXIRA-RLKINFHOSA-N" ; chebi:mass "493.639" ; chebi:monoisotopicmass "493.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H]4CCCN4C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14159" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14159" . obo:CHEBI_102814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C27H32N2O5" ; chebi:inchi "InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22+,24-,26-/m1/s1" ; chebi:inchikey "XBPCNRNKOXKUQA-FWSIMYTDSA-N" ; chebi:mass "464.554" ; chebi:monoisotopicmass "464.23112" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14160" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H35N3O6S" ; chebi:inchi "InChI=1S/C23H35N3O6S/c1-17-5-3-4-6-22(17)33(29,30)26-14-18(27)15-31-16-21-20(26)8-7-19(32-21)13-23(28)25-11-9-24(2)10-12-25/h3-6,18-21,27H,7-16H2,1-2H3/t18-,19+,20+,21-/m0/s1" ; chebi:inchikey "AEYAMMVRWLJFNH-BQJUDKOJSA-N" ; chebi:mass "481.607" ; chebi:monoisotopicmass "481.22466" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-14161" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H36FN3O5" ; chebi:inchi "InChI=1S/C23H36FN3O5/c1-16(21(31-4)14-26(3)22(29)18-9-11-32-12-10-18)13-27(17(2)15-28)23(30)25-20-7-5-19(24)6-8-20/h5-8,16-18,21,28H,9-15H2,1-4H3,(H,25,30)/t16-,17+,21+/m0/s1" ; chebi:inchikey "OIIKGOKDOCINHJ-CSODHUTKSA-N" ; chebi:mass "453.548" ; chebi:monoisotopicmass "453.26390" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14162" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_102817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19-/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-GUDVDZBRSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14163" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H25FN4O5" ; chebi:inchi "InChI=1S/C24H25FN4O5/c25-18-4-2-1-3-17(18)20-12-29(28-27-20)10-9-16-6-7-19(23(13-30)34-16)26-24(31)15-5-8-21-22(11-15)33-14-32-21/h1-5,8,11-12,16,19,23,30H,6-7,9-10,13-14H2,(H,26,31)/t16-,19+,23-/m1/s1" ; chebi:inchikey "RQZDEGSLOUOYBH-BVZALQNUSA-N" ; chebi:mass "468.478" ; chebi:monoisotopicmass "468.18090" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-14164" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C27H29N3O4" ; chebi:inchi "InChI=1S/C27H29N3O4/c31-18-25-24(30-26(32)15-19-5-4-14-28-17-19)13-12-23(34-25)16-27(33)29-22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-11,14,17,23-25,31H,12-13,15-16,18H2,(H,29,33)(H,30,32)/t23-,24-,25-/m0/s1" ; chebi:inchikey "JZSLTRUJUOZFGD-SDHOMARFSA-N" ; chebi:mass "459.538" ; chebi:monoisotopicmass "459.21581" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@@H]1CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)CO)NC(=O)CC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14165" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m1/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-GMKZXUHWSA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14166" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14166" . obo:CHEBI_102821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19+,21-,23-/m0/s1" ; chebi:inchikey "TVZJESBMTOHXDE-FTJYFCJYSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14167" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22+,24-/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-JCTONOIOSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14168" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21+,22+,27-/m0/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-HQKZVIGLSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14169" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14169" . obo:CHEBI_102824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C25H28N4O4" ; chebi:inchi "InChI=1S/C25H28N4O4/c30-13-18-20-12-28-19(8-7-17(25(28)33)16-2-1-9-26-11-16)22(29(20)24(32)15-5-6-15)21(18)23(31)27-10-14-3-4-14/h1-2,7-9,11,14-15,18,20-22,30H,3-6,10,12-13H2,(H,27,31)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "YVZLAXVGGRSZTP-VXSCBNMQSA-N" ; chebi:mass "448.515" ; chebi:monoisotopicmass "448.21106" ; chebi:smiles "C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2N3C(=O)C6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14170" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14170" . obo:CHEBI_102825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H29N3O5" ; chebi:inchi "InChI=1S/C25H29N3O5/c29-14-22-24-20(11-18(32-22)12-23(30)27-13-17-6-1-2-9-26-17)19-10-16(7-8-21(19)33-24)28-25(31)15-4-3-5-15/h1-2,6-10,15,18,20,22,24,29H,3-5,11-14H2,(H,27,30)(H,28,31)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "WYDHQCWIOCTAOJ-USHXRURQSA-N" ; chebi:mass "451.516" ; chebi:monoisotopicmass "451.21072" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-14171" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_102826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15+,19-/m1/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-ZRGWGRIASA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@H]([C@@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14172" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H24ClN5O4" ; chebi:inchi "InChI=1S/C25H24ClN5O4/c1-14(33)31-22-18(11-30-21(22)7-6-17(25(30)35)16-8-27-13-28-9-16)19(12-32)23(31)24(34)29-10-15-4-2-3-5-20(15)26/h2-9,13,18-19,22-23,32H,10-12H2,1H3,(H,29,34)/t18-,19-,22+,23-/m1/s1" ; chebi:inchikey "NRDXZHALSORZQF-PJIZGREPSA-N" ; chebi:mass "493.943" ; chebi:monoisotopicmass "493.15168" ; chebi:smiles "CC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CN=CN=C4)[C@H]([C@@H]1C(=O)NCC5=CC=CC=C5Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14173" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H37N3O3" ; chebi:inchi "InChI=1S/C30H37N3O3/c1-2-15-32-26-18-33-25(13-12-23(29(33)35)21-9-4-3-5-10-21)28(32)27(24(26)19-34)30(36)31-16-14-20-8-6-7-11-22(20)17-31/h6-9,11-13,24,26-28,34H,2-5,10,14-19H2,1H3/t24-,26-,27+,28+/m1/s1" ; chebi:inchikey "KTCZPISMGPPISS-OIIADRAWSA-N" ; chebi:mass "487.634" ; chebi:monoisotopicmass "487.28349" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-14174" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14174" . obo:CHEBI_102829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c1-29(2)22(34)14-6-4-5-13(9-14)15-7-8-17-20-19(21(33)28-12-24(25,26)27)16(11-32)18(30(20)3)10-31(17)23(15)35/h4-9,16,18-20,32H,10-12H2,1-3H3,(H,28,33)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "KOJKRQVKKNDDMT-LMCOJAPRSA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)C(=O)N(C)C)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14175" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14175" . obo:CHEBI_10283 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24654 ; rdfs:subClassOf obo:CHEBI_49302 . _:b1793 rdf:type owl:Restriction . obo:CHEBI_10283 rdfs:subClassOf _:b1793 . _:b1793 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_76176 . obo:CHEBI_10283 obo:IAO_0000115 "Any fatty acid with a hydroxy functional group in the alpha- or 2-position." ; chebi:charge "0" ; chebi:formula "C2H3O3R" ; chebi:formula "C2H3O3R(CH2)n" ; chebi:mass "75.04340" ; chebi:monoisotopicmass "75.00822" ; chebi:smiles "OC([*])C(O)=O" ; oboInOwl:hasDbXref "KEGG:C05102" ; oboInOwl:hasDbXref "PMID:6423633" ; oboInOwl:hasDbXref "PMID:9826358" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2-OH fatty acid" ; oboInOwl:hasRelatedSynonym "2-OH fatty acids" ; oboInOwl:hasRelatedSynonym "2-hydroxy fatty acids" ; oboInOwl:hasRelatedSynonym "alpha-Hydroxy fatty acid" ; oboInOwl:hasRelatedSynonym "alpha-OH fatty acid" ; oboInOwl:hasRelatedSynonym "alpha-OH fatty acids" ; oboInOwl:hasRelatedSynonym "alpha-hydroxy fatty acid" ; oboInOwl:hasRelatedSynonym "alpha-hydroxy fatty acids" ; oboInOwl:id "CHEBI:10283" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2-hydroxy fatty acid" . _:b1794 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6423633" ; rdfs:label "Europe PMC" . _:b1795 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9826358" ; rdfs:label "Europe PMC" . _:b1796 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-OH fatty acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1797 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-OH fatty acids" ; oboInOwl:hasDbXref "ChEBI" . _:b1798 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-hydroxy fatty acids" ; oboInOwl:hasDbXref "ChEBI" . _:b1799 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Hydroxy fatty acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1800 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-OH fatty acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1801 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-OH fatty acids" ; oboInOwl:hasDbXref "ChEBI" . _:b1802 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-hydroxy fatty acid" ; oboInOwl:hasDbXref "ChEBI" . _:b1803 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10283 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-hydroxy fatty acids" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15-,17-,20+/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-PCFVDWANSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14176" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_102831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13+,14+/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-BFHYXJOUSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14177" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21-,22+/m0/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-FDFHNCONSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14178" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2R,3R,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C25H24FN3O4" ; chebi:inchi "InChI=1S/C25H24FN3O4/c1-33-25(32)23-20(14-30)19-13-28-21(8-7-18(24(28)31)16-5-3-9-27-11-16)22(19)29(23)12-15-4-2-6-17(26)10-15/h2-11,19-20,22-23,30H,12-14H2,1H3/t19-,20-,22+,23-/m1/s1" ; chebi:inchikey "QSBCJQTYLRTAIU-YXPKMTABSA-N" ; chebi:mass "449.475" ; chebi:monoisotopicmass "449.17508" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]2N1CC5=CC(=CC=C5)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14179" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_102834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30-,33-/m1/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-GYBKAKGQSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14180" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14180" . obo:CHEBI_102835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40F3N3O5S" ; chebi:inchi "InChI=1S/C26H40F3N3O5S/c1-18-13-32(14-20-8-6-5-7-9-20)19(2)16-37-23-11-10-21(30-38(34,35)17-26(27,28)29)12-22(23)25(33)31(3)15-24(18)36-4/h10-12,18-20,24,30H,5-9,13-17H2,1-4H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "IQLGILJFFYEPBE-GLDPYIMESA-N" ; chebi:mass "563.675" ; chebi:monoisotopicmass "563.26408" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14181" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_102836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24+/m0/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-VAXXYWNWSA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-14182" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-UQWBFEFOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14183" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_102838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-,19+,20+/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-KCUHQSDYSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14184" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C25H37N3O6" ; chebi:inchi "InChI=1S/C25H37N3O6/c29-20-16-28(25(31)19-5-2-1-3-6-19)22-8-7-21(34-23(22)18-33-17-20)15-24(30)26-9-4-10-27-11-13-32-14-12-27/h1-3,5-6,20-23,29H,4,7-18H2,(H,26,30)/t20-,21-,22-,23+/m1/s1" ; chebi:inchikey "AMMWEOQELITDAS-ODAXIHTASA-N" ; chebi:mass "475.579" ; chebi:monoisotopicmass "475.26824" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3)O)O[C@H]1CC(=O)NCCCN4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14185" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_10284 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51689 ; rdfs:subClassOf obo:CHEBI_51867 . _:b1804 rdf:type owl:Restriction . obo:CHEBI_10284 rdfs:subClassOf _:b1804 . _:b1804 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_32319 . obo:CHEBI_10284 obo:IAO_0000115 "A methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group." ; chebi:charge "0" ; chebi:formula "C14H22O" ; chebi:inchi "InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+" ; chebi:inchikey "JZQOJFLIJNRDHK-CMDGGOBGSA-N" ; chebi:mass "206.32390" ; chebi:monoisotopicmass "206.16707" ; chebi:smiles "CC1CC=C(C)C(\\C=C\\C(C)=O)C1(C)C" ; oboInOwl:hasDbXref "Beilstein:1343498" ; oboInOwl:hasDbXref "CAS:79-69-6" ; oboInOwl:hasDbXref "KEGG:C09690" ; oboInOwl:hasDbXref "KNApSAcK:C00003153" ; oboInOwl:hasDbXref "PMID:18031907" ; oboInOwl:hasDbXref "Reaxys:1343498" ; oboInOwl:hasExactSynonym "(3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one" ; oboInOwl:hasExactSynonym "alpha-Irone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "6-Methyl-alpha-ionone" ; oboInOwl:hasRelatedSynonym "Methyl alpha-ionone" ; oboInOwl:hasRelatedSynonym "Methyl-alpha-ionone" ; oboInOwl:hasRelatedSynonym "alpha-Iron" ; oboInOwl:id "CHEBI:10284" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-irone" . _:b1805 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1343498" ; rdfs:label "Beilstein" . _:b1806 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:79-69-6" ; rdfs:label "ChemIDplus" . _:b1807 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:79-69-6" ; rdfs:label "KEGG COMPOUND" . _:b1808 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:79-69-6" ; rdfs:label "NIST Chemistry WebBook" . _:b1809 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18031907" ; rdfs:label "Europe PMC" . _:b1810 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1343498" ; rdfs:label "Reaxys" . _:b1811 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3E)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1812 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Irone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1813 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Methyl-alpha-ionone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1814 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "6-Methyl-alpha-ionone" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1815 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Methyl alpha-ionone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1816 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Methyl-alpha-ionone" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1817 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10284 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Iron" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_102840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27N3O4" ; chebi:inchi "InChI=1S/C26H27N3O4/c1-28-22-14-29-21(13-12-19(26(29)32)16-8-10-18(33-2)11-9-16)24(28)23(20(22)15-30)25(31)27-17-6-4-3-5-7-17/h3-13,20,22-24,30H,14-15H2,1-2H3,(H,27,31)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "NFYJHTUTLOTQBL-IQFVJIFQSA-N" ; chebi:mass "445.511" ; chebi:monoisotopicmass "445.20016" ; chebi:smiles "CN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14186" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14186" . obo:CHEBI_102841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H36ClN3O5" ; chebi:inchi "InChI=1S/C25H36ClN3O5/c26-18-6-8-19(9-7-18)28-25(32)29-14-20(30)15-33-16-23-22(29)11-10-21(34-23)12-24(31)27-13-17-4-2-1-3-5-17/h6-9,17,20-23,30H,1-5,10-16H2,(H,27,31)(H,28,32)/t20-,21-,22+,23-/m1/s1" ; chebi:inchikey "SYCYKHHPUCXRJT-BXXSPATCSA-N" ; chebi:mass "494.024" ; chebi:monoisotopicmass "493.23435" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14187" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8R,10aS)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21+,22+/m1/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-FSSWDIPSSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14188" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2S,3S,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H29N3O3" ; chebi:inchi "InChI=1S/C28H29N3O3/c1-29-25-22(16-31-24(25)12-11-21(27(31)33)19-8-3-2-4-9-19)23(17-32)26(29)28(34)30-14-13-18-7-5-6-10-20(18)15-30/h2-12,22-23,25-26,32H,13-17H2,1H3/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "YSTNLTHHZDJVRS-VHCQPULKSA-N" ; chebi:mass "455.549" ; chebi:monoisotopicmass "455.22089" ; chebi:smiles "CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4)[C@H]([C@@H]1C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14189" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1-methyl-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_102844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O5" ; chebi:inchi "InChI=1S/C27H39N5O5/c1-16-12-32(13-20-7-8-20)17(2)15-36-23-11-21(28-27(34)29-25-18(3)30-37-19(25)4)9-10-22(23)26(33)31(5)14-24(16)35-6/h9-11,16-17,20,24H,7-8,12-15H2,1-6H3,(H2,28,29,34)/t16-,17-,24+/m0/s1" ; chebi:inchikey "BVCIWUWSCCLIPT-WOGXIUBCSA-N" ; chebi:mass "513.630" ; chebi:monoisotopicmass "513.29512" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14190" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea" . obo:CHEBI_102845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29ClN2O5" ; chebi:inchi "InChI=1S/C21H29ClN2O5/c22-17-4-2-1-3-15(17)12-23-20(26)11-16-5-6-18(19(13-25)29-16)24-21(27)14-7-9-28-10-8-14/h1-4,14,16,18-19,25H,5-13H2,(H,23,26)(H,24,27)/t16-,18+,19+/m1/s1" ; chebi:inchikey "FKDHCSBIQDWEMT-NEWSRXKRSA-N" ; chebi:mass "424.919" ; chebi:monoisotopicmass "424.17650" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC=CC=C2Cl)CO)NC(=O)C3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14191" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide" . obo:CHEBI_102846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C19H27N3O5" ; chebi:inchi "InChI=1S/C19H27N3O5/c1-2-20-18(24)9-14-6-7-16-17(27-14)12-26-11-13(23)10-22(16)19(25)15-5-3-4-8-21-15/h3-5,8,13-14,16-17,23H,2,6-7,9-12H2,1H3,(H,20,24)/t13-,14-,16+,17-/m0/s1" ; chebi:inchikey "XTMFCURZJJHNFP-DIECFANBSA-N" ; chebi:mass "377.436" ; chebi:monoisotopicmass "377.19507" ; chebi:smiles "CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3=CC=CC=N3)O" ; oboInOwl:hasDbXref "LINCS:LSM-14192" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide" . obo:CHEBI_102847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H37FN4O4" ; chebi:inchi "InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29-/m1/s1" ; chebi:inchikey "HIWUQZOVKTUVHW-UETOGOEVSA-N" ; chebi:mass "572.671" ; chebi:monoisotopicmass "572.27988" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14193" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14193" . obo:CHEBI_102848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C20H19N3O2" ; chebi:inchi "InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18+,19+/m1/s1" ; chebi:inchikey "SONVGTXFTWWDQR-QYZOEREBSA-N" ; chebi:mass "333.385" ; chebi:monoisotopicmass "333.14773" ; chebi:smiles "CC=CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CN=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14194" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14194" . obo:CHEBI_102849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H38N4O5" ; chebi:inchi "InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26+/m0/s1" ; chebi:inchikey "ZWMNFEZEGHFZOH-OUDXUNEISA-N" ; chebi:mass "522.637" ; chebi:monoisotopicmass "522.28422" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14195" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea" . obo:CHEBI_10285 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C25H32O8" ; chebi:inchi "InChI=1S/C25H32O8/c1-10(2)18(26)16-22(30)14(20(28)12(5)24(16)32-7)9-15-21(29)13(6)25(33-8)17(23(15)31)19(27)11(3)4/h10-11,28-31H,9H2,1-8H3" ; chebi:inchikey "KPKGKOASFCAMGD-UHFFFAOYSA-N" ; chebi:mass "460.518" ; chebi:monoisotopicmass "460.20972" ; chebi:smiles "COc1c(C)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C" ; oboInOwl:hasDbXref "CAS:568-50-3" ; oboInOwl:hasDbXref "KEGG:C10704" ; oboInOwl:hasDbXref "KNApSAcK:C00002700" ; oboInOwl:hasExactSynonym "alpha-Kosin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10285" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Kosin" . _:b1818 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10285 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:568-50-3" ; rdfs:label "KEGG COMPOUND" . _:b1819 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10285 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Kosin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_102850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H23NO8" ; chebi:inchi "InChI=1S/C23H23NO8/c1-28-21(26)9-14-8-16-15-7-13(3-5-17(15)32-22(16)20(10-25)31-14)24-23(27)12-2-4-18-19(6-12)30-11-29-18/h2-7,14,16,20,22,25H,8-11H2,1H3,(H,24,27)/t14-,16+,20+,22-/m0/s1" ; chebi:inchikey "HFIMGBHSBJMCIP-VGOBXOCWSA-N" ; chebi:mass "441.432" ; chebi:monoisotopicmass "441.14237" ; chebi:smiles "COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-14196" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "PCQGWFREXHAZIT-TYPXCFOJSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14197" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14197" . obo:CHEBI_102852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-QYZOEREBSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14198" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H30N2O5S" ; chebi:inchi "InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19+/m0/s1" ; chebi:inchikey "VPHPWASIVZFRRJ-YTQUADARSA-N" ; chebi:mass "410.529" ; chebi:monoisotopicmass "410.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)NCC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14199" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide" . obo:CHEBI_102854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20-,22-,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-AUPQHMSCSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14200" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19-,25-/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-MPCDZSKCSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14201" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5S,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20+/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-LRDNONRASA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14202" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_102857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H29N3O5" ; chebi:inchi "InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18-,19+/m1/s1" ; chebi:inchikey "LYYREMJMDQKNES-OPNNQBFTSA-N" ; chebi:mass "415.484" ; chebi:monoisotopicmass "415.21072" ; chebi:smiles "C[C@@H]1C(=O)N(C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14203" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14203" . obo:CHEBI_102858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H35F3N2O4" ; chebi:inchi "InChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "LOZCXWBJFMLABO-ZSYWTGECSA-N" ; chebi:mass "436.510" ; chebi:monoisotopicmass "436.25489" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14204" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22+/m1/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-VVBPWWLESA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14205" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10286 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28351 ; owl:deprecated true . obo:CHEBI_102860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "VBARFQGDBKSOKL-HTWFIQDWSA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14206" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14206" . obo:CHEBI_102861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15-6-9-17(10-7-15)31(28,29)25-20-11-8-16(30-21(20)14-26)12-13-24-22(27)18-4-2-3-5-19(18)23/h2-7,9-10,16,20-21,25-26H,8,11-14H2,1H3,(H,24,27)/t16-,20-,21+/m0/s1" ; chebi:inchikey "SBFIZHFYYISGJV-ORYQWCPZSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)C3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-14207" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide" . obo:CHEBI_102862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23-,24+/m0/s1" ; chebi:inchikey "WWAGOAOIMIOBRQ-QCCYXRBGSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14208" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24+/m0/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-NGYIFUPDSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14209" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H27F2N3O4" ; chebi:inchi "InChI=1S/C24H27F2N3O4/c25-17-5-7-19(26)21(11-17)28-24(32)27-20-8-6-18(33-22(20)14-30)12-23(31)29-10-9-15-3-1-2-4-16(15)13-29/h1-5,7,11,18,20,22,30H,6,8-10,12-14H2,(H2,27,28,32)/t18-,20-,22+/m1/s1" ; chebi:inchikey "BOSRLBMZBBTOKS-UZKOGDIHSA-N" ; chebi:mass "459.487" ; chebi:monoisotopicmass "459.19696" ; chebi:smiles "C1C[C@H]([C@@H](O[C@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14210" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]urea" . obo:CHEBI_102865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C17H28N2O4" ; chebi:inchi "InChI=1S/C17H28N2O4/c20-10-15-14(19-17(22)12-2-1-3-12)7-6-13(23-15)8-16(21)18-9-11-4-5-11/h11-15,20H,1-10H2,(H,18,21)(H,19,22)/t13-,14+,15-/m0/s1" ; chebi:inchikey "MSNHHRRUCLPTHC-ZNMIVQPWSA-N" ; chebi:mass "324.416" ; chebi:monoisotopicmass "324.20491" ; chebi:smiles "C1CC(C1)C(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14211" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide" . obo:CHEBI_102866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22+,30+/m0/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-IABYTQIASA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14212" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14212" . obo:CHEBI_102867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31ClFN3O5S" ; chebi:inchi "InChI=1S/C23H31ClFN3O5S/c1-16(13-28(17(2)15-29)23(30)26-21-8-6-5-7-20(21)25)22(33-4)14-27(3)34(31,32)19-11-9-18(24)10-12-19/h5-12,16-17,22,29H,13-15H2,1-4H3,(H,26,30)/t16-,17-,22+/m1/s1" ; chebi:inchikey "PIYRLUCWZXVSBU-YVHKJVDXSA-N" ; chebi:mass "516.028" ; chebi:monoisotopicmass "515.16570" ; chebi:smiles "C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14213" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C28H33N3O6" ; chebi:inchi "InChI=1S/C28H33N3O6/c1-31-23-11-10-21(14-26(32)29-15-17-3-4-17)37-25(23)16-36-24-12-7-19(13-22(24)28(31)34)30-27(33)18-5-8-20(35-2)9-6-18/h5-9,12-13,17,21,23,25H,3-4,10-11,14-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23-,25+/m0/s1" ; chebi:inchikey "IGRBOWQNYYEHHT-UMXIMWEHSA-N" ; chebi:mass "507.579" ; chebi:monoisotopicmass "507.23694" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-14214" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide" . obo:CHEBI_102869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35FN4O6" ; chebi:inchi "InChI=1S/C27H35FN4O6/c1-17-13-32(25(33)16-36-4)18(2)15-38-23-10-9-21(12-22(23)26(34)31(3)14-24(17)37-5)30-27(35)29-20-8-6-7-19(28)11-20/h6-12,17-18,24H,13-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m1/s1" ; chebi:inchikey "ZQFWKBSGTDYKBN-NXMSCROESA-N" ; chebi:mass "530.589" ; chebi:monoisotopicmass "530.25406" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14215" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_10287 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_37572 ; owl:deprecated true . obo:CHEBI_102870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H34F3N3O5S" ; chebi:inchi "InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16-,20-/m0/s1" ; chebi:inchikey "QTXSGNVPDCTZEW-FTRWYGJKSA-N" ; chebi:mass "509.585" ; chebi:monoisotopicmass "509.21713" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C" ; oboInOwl:hasDbXref "LINCS:LSM-14216" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_102871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C26H32F3N3O4" ; chebi:inchi "InChI=1S/C26H32F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)14-32-15-21(33)16-35-17-24-23(32)5-4-22(36-24)13-25(34)31-11-8-18-6-9-30-10-7-18/h1-3,6-7,9-10,12,21-24,33H,4-5,8,11,13-17H2,(H,31,34)/t21-,22-,23+,24-/m1/s1" ; chebi:inchikey "QCHQNBIYSRQADD-JLLPCOHGSA-N" ; chebi:mass "507.546" ; chebi:monoisotopicmass "507.23449" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14217" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19-,21+,23+/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-YZBYQZESSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14218" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c32-21-26-25(29-27(33)13-16-30-14-5-2-6-15-30)10-9-24(35-26)20-28(34)31-17-11-23(12-18-31)19-22-7-3-1-4-8-22/h1,3-4,7-8,23-26,32H,2,5-6,9-21H2,(H,29,33)/t24-,25+,26-/m1/s1" ; chebi:inchikey "HBACCIGQRKGJSE-UODIDJSMSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C1CCN(CC1)CCC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14219" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide" . obo:CHEBI_102874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C25H37ClN2O4" ; chebi:inchi "InChI=1S/C25H37ClN2O4/c26-20-8-4-7-19(11-20)14-28-15-21(29)16-31-17-24-23(28)10-9-22(32-24)12-25(30)27-13-18-5-2-1-3-6-18/h4,7-8,11,18,21-24,29H,1-3,5-6,9-10,12-17H2,(H,27,30)/t21-,22+,23+,24-/m1/s1" ; chebi:inchikey "UWGYAIIPASVTSB-NAVOZUGXSA-N" ; chebi:mass "465.026" ; chebi:monoisotopicmass "464.24419" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14220" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide" . obo:CHEBI_102875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34FN3O5S" ; chebi:inchi "InChI=1S/C24H34FN3O5S/c1-17-10-12-20(13-11-17)34(31,32)27(4)15-23(33-5)18(2)14-28(19(3)16-29)24(30)26-22-9-7-6-8-21(22)25/h6-13,18-19,23,29H,14-16H2,1-5H3,(H,26,30)/t18-,19-,23+/m0/s1" ; chebi:inchikey "IMMALVOVYMCCKV-SFYKDHMMSA-N" ; chebi:mass "495.609" ; chebi:monoisotopicmass "495.22032" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14221" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea" . obo:CHEBI_102876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-26(2)17-8-9-21-19(12-17)20-13-18(29-22(15-27)24(20)30-21)14-23(28)25-11-10-16-6-4-3-5-7-16/h3-9,12,18,20,22,24,27H,10-11,13-15H2,1-2H3,(H,25,28)/t18-,20-,22-,24+/m1/s1" ; chebi:inchikey "VTJOJCWIVRUFJE-YWWGLXIYSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14222" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H25N3O6" ; chebi:inchi "InChI=1S/C23H25N3O6/c1-26-18-9-8-16(12-21(27)28)32-20(18)13-31-19-10-7-15(11-17(19)22(26)29)25-23(30)24-14-5-3-2-4-6-14/h2-7,10-11,16,18,20H,8-9,12-13H2,1H3,(H,27,28)(H2,24,25,30)/t16-,18+,20+/m0/s1" ; chebi:inchikey "HJRBVKTVNLVVPO-ILZDJORESA-N" ; chebi:mass "439.462" ; chebi:monoisotopicmass "439.17434" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14223" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H41N3O5" ; chebi:inchi "InChI=1S/C33H41N3O5/c1-23-20-36(17-16-25-10-7-6-8-11-25)24(2)22-41-30-15-14-27(19-29(30)33(38)35(3)21-31(23)40-5)34-32(37)26-12-9-13-28(18-26)39-4/h6-15,18-19,23-24,31H,16-17,20-22H2,1-5H3,(H,34,37)/t23-,24+,31+/m1/s1" ; chebi:inchikey "OXAYHDRNXZXDOZ-OXYPMYLPSA-N" ; chebi:mass "559.697" ; chebi:monoisotopicmass "559.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14224" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_102879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16-,19-,20+/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-SMOSDQRPSA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14225" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10288 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28772 ; owl:deprecated true . obo:CHEBI_102880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C24H25N3O3" ; chebi:inchi "InChI=1S/C24H25N3O3/c1-26(2)23(29)19-5-3-4-18(12-19)15-6-8-16(9-7-15)22-20(13-25)27(21(22)14-28)24(30)17-10-11-17/h3-9,12,17,20-22,28H,10-11,14H2,1-2H3/t20-,21-,22+/m1/s1" ; chebi:inchikey "NDTMOTIIGWPVNE-VSKRKVRLSA-N" ; chebi:mass "403.475" ; chebi:monoisotopicmass "403.18959" ; chebi:smiles "CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14226" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[4-[(2S,3S,4S)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide" . obo:CHEBI_102881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22-/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-WCJKSRRJSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14227" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C29H32N4O5S" ; chebi:inchi "InChI=1S/C29H32N4O5S/c1-33-24-6-5-21(16-27(34)31-13-10-19-8-11-30-12-9-19)38-26(24)18-37-25-7-4-20(15-23(25)29(33)36)32-28(35)17-22-3-2-14-39-22/h2-4,7-9,11-12,14-15,21,24,26H,5-6,10,13,16-18H2,1H3,(H,31,34)(H,32,35)/t21-,24+,26+/m0/s1" ; chebi:inchikey "OJLJDVMGKDSXAU-BBVWWWHTSA-N" ; chebi:mass "548.655" ; chebi:monoisotopicmass "548.20934" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14228" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17-,23-/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-QQMNAOGKSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14229" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27FN2O5S" ; chebi:inchi "InChI=1S/C22H27FN2O5S/c1-15(16-6-3-2-4-7-16)24-22(27)13-18-10-11-20(21(14-26)30-18)25-31(28,29)19-9-5-8-17(23)12-19/h2-9,12,15,18,20-21,25-26H,10-11,13-14H2,1H3,(H,24,27)/t15-,18+,20-,21+/m1/s1" ; chebi:inchikey "YLLZUOSUTCBCJJ-OBUJGBQQSA-N" ; chebi:mass "450.526" ; chebi:monoisotopicmass "450.16247" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14230" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_102885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27FN4O4S" ; chebi:inchi "InChI=1S/C23H27FN4O4S/c24-20-8-4-5-9-23(20)33(30,31)26-21-11-10-19(32-22(21)16-29)12-13-28-15-18(25-27-28)14-17-6-2-1-3-7-17/h1-9,15,19,21-22,26,29H,10-14,16H2/t19-,21+,22-/m1/s1" ; chebi:inchikey "INJNPRWYOQJIJD-BAGYTPMASA-N" ; chebi:mass "474.550" ; chebi:monoisotopicmass "474.17370" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-14231" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide" . obo:CHEBI_102886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25+,27+,29-/m1/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-CMRYXKCBSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-14232" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_102887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C18H27N3O4" ; chebi:inchi "InChI=1S/C18H27N3O4/c22-14-10-21-16-2-1-15(25-17(16)12-24-11-14)9-18(23)20-8-5-13-3-6-19-7-4-13/h3-4,6-7,14-17,21-22H,1-2,5,8-12H2,(H,20,23)/t14-,15+,16-,17+/m0/s1" ; chebi:inchikey "RNNHPDFMCSWFHC-VVLHAWIVSA-N" ; chebi:mass "349.425" ; chebi:monoisotopicmass "349.20016" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14233" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_102888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C16H24N2O4" ; chebi:inchi "InChI=1S/C16H24N2O4/c19-9-14-13(18-16(21)10-4-5-10)7-6-12(22-14)8-15(20)17-11-2-1-3-11/h6-7,10-14,19H,1-5,8-9H2,(H,17,20)(H,18,21)/t12-,13+,14-/m0/s1" ; chebi:inchikey "RGLUKSSVDYQFDC-MJBXVCDLSA-N" ; chebi:mass "308.373" ; chebi:monoisotopicmass "308.17361" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14234" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide" . obo:CHEBI_102889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C30H34N4O3" ; chebi:inchi "InChI=1S/C30H34N4O3/c1-32-26-18-34-25(8-7-23(29(34)36)22-9-13-31-14-10-22)28(32)27(24(26)19-35)30(37)33-15-11-21(12-16-33)17-20-5-3-2-4-6-20/h2-10,13-14,21,24,26-28,35H,11-12,15-19H2,1H3/t24-,26-,27+,28+/m1/s1" ; chebi:inchikey "QUSLSSXBBMTUKA-OIIADRAWSA-N" ; chebi:mass "498.617" ; chebi:monoisotopicmass "498.26309" ; chebi:smiles "CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCC(CC5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14235" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14235" . obo:CHEBI_10289 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28226 ; owl:deprecated true . obo:CHEBI_102890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26407 ; chebi:charge "0" ; chebi:formula "C19H31N5O5" ; chebi:inchi "InChI=1S/C19H31N5O5/c1-12-18(13(2)29-23-12)22-19(27)21-15-7-6-14(28-16(15)11-25)10-17(26)20-8-5-9-24(3)4/h6-7,14-16,25H,5,8-11H2,1-4H3,(H,20,26)(H2,21,22,27)/t14-,15-,16-/m0/s1" ; chebi:inchikey "IXKFMJFBYVYICU-JYJNAYRXSA-N" ; chebi:mass "409.481" ; chebi:monoisotopicmass "409.23252" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14236" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2R,3S,6R)-3-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21+,23+,25-,27-/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-LLAXMMLTSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14237" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_102892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C19H32N4O5S" ; chebi:inchi "InChI=1S/C19H32N4O5S/c1-23-11-19(21-13-23)29(26,27)22-16-8-7-15(28-17(16)12-24)9-18(25)20-10-14-5-3-2-4-6-14/h11,13-17,22,24H,2-10,12H2,1H3,(H,20,25)/t15-,16-,17-/m1/s1" ; chebi:inchikey "VHNINRJVEBHVBF-BRWVUGGUSA-N" ; chebi:mass "428.548" ; chebi:monoisotopicmass "428.20934" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14238" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_102893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15+,19-/m0/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-KHYOSLBOSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14239" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102893" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_102894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21+,25-,27-/m0/s1" ; chebi:inchikey "PHEIPYKARIAFSI-OSHLHTJISA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14240" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19+/m0/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-GBESFXJTSA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO)F" ; oboInOwl:hasDbXref "LINCS:LSM-14241" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_102896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24+,26-/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-KTIWRFAQSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14242" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_102897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C21H21N3O5" ; chebi:inchi "InChI=1S/C21H21N3O5/c25-10-14-16-9-23-15(4-3-13(20(23)27)11-5-7-22-8-6-11)18(17(14)21(28)29)24(16)19(26)12-1-2-12/h3-8,12,14,16-18,25H,1-2,9-10H2,(H,28,29)/t14-,16-,17+,18+/m1/s1" ; chebi:inchikey "YHZGHLFVBXATHQ-BGTYHANMSA-N" ; chebi:mass "395.409" ; chebi:monoisotopicmass "395.14812" ; chebi:smiles "C1CC1C(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14243" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14243" . obo:CHEBI_102898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H21F3N2O6" ; chebi:inchi "InChI=1S/C22H21F3N2O6/c23-22(24,25)11-1-3-12(4-2-11)26-21(31)27-13-5-6-17-15(7-13)16-8-14(9-19(29)30)32-18(10-28)20(16)33-17/h1-7,14,16,18,20,28H,8-10H2,(H,29,30)(H2,26,27,31)/t14-,16-,18-,20+/m1/s1" ; chebi:inchikey "RRHNJWQDAKAZMZ-ODZKNYGOSA-N" ; chebi:mass "466.408" ; chebi:monoisotopicmass "466.13517" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14244" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid" . obo:CHEBI_102899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H25FN2O7S" ; chebi:inchi "InChI=1S/C23H25FN2O7S/c1-26-19-9-6-16(12-22(27)31-2)33-21(19)13-32-20-10-5-15(11-18(20)23(26)28)25-34(29,30)17-7-3-14(24)4-8-17/h3-5,7-8,10-11,16,19,21,25H,6,9,12-13H2,1-2H3/t16-,19+,21+/m0/s1" ; chebi:inchikey "QOIMCQVGUSYUFV-LDQXTDLNSA-N" ; chebi:mass "492.519" ; chebi:monoisotopicmass "492.13665" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14245" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_1029 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18425 ; owl:deprecated true . obo:CHEBI_10290 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_35376 ; owl:deprecated true . obo:CHEBI_102900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H24N2O6" ; chebi:inchi "InChI=1S/C22H24N2O6/c1-28-20(26)11-15-10-17-16-9-14(24-22(27)23-13-5-3-2-4-6-13)7-8-18(16)30-21(17)19(12-25)29-15/h2-9,15,17,19,21,25H,10-12H2,1H3,(H2,23,24,27)/t15-,17-,19+,21+/m0/s1" ; chebi:inchikey "BVQWYDMOVFWUGX-ICSUOEFDSA-N" ; chebi:mass "412.437" ; chebi:monoisotopicmass "412.16344" ; chebi:smiles "COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14246" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N3O5" ; chebi:inchi "InChI=1S/C24H37N3O5/c1-16-11-27(12-18-6-7-18)17(2)14-32-21-10-19(25-23(28)15-30-4)8-9-20(21)24(29)26(3)13-22(16)31-5/h8-10,16-18,22H,6-7,11-15H2,1-5H3,(H,25,28)/t16-,17+,22+/m1/s1" ; chebi:inchikey "MDBZRSBKDCCZHT-JLHGSKIFSA-N" ; chebi:mass "447.569" ; chebi:monoisotopicmass "447.27332" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3CC3" ; oboInOwl:hasDbXref "LINCS:LSM-14247" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22+,23-/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-ZRBLBEILSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14248" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_102903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20+,22+/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-FDGCKHTNSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14249" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20-,24+/m1/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-REHUZNOOSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14250" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H39N5O5" ; chebi:inchi "InChI=1S/C32H39N5O5/c1-19-15-37(20(2)17-38)31(39)30-28(25-13-9-10-14-26(25)36(30)6)24-12-8-7-11-23(24)18-41-27(19)16-35(5)32(40)33-29-21(3)34-42-22(29)4/h7-14,19-20,27,38H,15-18H2,1-6H3,(H,33,40)/t19-,20+,27+/m0/s1" ; chebi:inchikey "WBCPGODJHKXDGU-ASHZAFPQSA-N" ; chebi:mass "573.684" ; chebi:monoisotopicmass "573.29512" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14251" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14251" . obo:CHEBI_102906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21-,22+/m1/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-MBDNFAEBSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14252" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C27H31N3O7" ; chebi:inchi "InChI=1S/C27H31N3O7/c1-3-10-28-25(31)13-18-6-7-20-24(37-18)14-34-21-9-5-17(12-19(21)27(33)30(20)2)29-26(32)16-4-8-22-23(11-16)36-15-35-22/h4-5,8-9,11-12,18,20,24H,3,6-7,10,13-15H2,1-2H3,(H,28,31)(H,29,32)/t18-,20-,24+/m1/s1" ; chebi:inchikey "OHHWUSSTVAUIQP-FPGHNAPASA-N" ; chebi:mass "509.552" ; chebi:monoisotopicmass "509.21620" ; chebi:smiles "CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C" ; oboInOwl:hasDbXref "LINCS:LSM-14253" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19-,20-/m0/s1" ; chebi:inchikey "YSDDRAAKFDNITG-LDTOTXGLSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14254" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_102909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C18H18N2O2" ; chebi:inchi "InChI=1S/C18H18N2O2/c1-22-17-5-3-2-4-14(17)12-6-8-13(9-7-12)18-15(10-19)20-16(18)11-21/h2-9,15-16,18,20-21H,11H2,1H3/t15-,16+,18+/m0/s1" ; chebi:inchikey "BGJLKNVJWQWPQD-LZLYRXPVSA-N" ; chebi:mass "294.348" ; chebi:monoisotopicmass "294.13683" ; chebi:smiles "COC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14255" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_10291 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28349 ; owl:deprecated true . obo:CHEBI_102910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H29N3O3" ; chebi:inchi "InChI=1S/C24H29N3O3/c28-15-19-18-14-27-20(10-5-11-21(27)29)22(18)26(13-12-16-6-2-1-3-7-16)23(19)24(30)25-17-8-4-9-17/h1-3,5-7,10-11,17-19,22-23,28H,4,8-9,12-15H2,(H,25,30)/t18-,19-,22+,23-/m0/s1" ; chebi:inchikey "TURNTDXZFQQILD-LBVMUVSTSA-N" ; chebi:mass "407.506" ; chebi:monoisotopicmass "407.22089" ; chebi:smiles "C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@@H]3N2CCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14256" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-(2-phenylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_102911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28+,30+/m0/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-ZTPXPFPDSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14257" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O8" ; chebi:inchi "InChI=1S/C30H30N2O8/c1-36-23-5-3-2-4-18(23)14-31-28(34)13-20-12-22-21-11-19(7-9-24(21)40-29(22)27(15-33)39-20)32-30(35)17-6-8-25-26(10-17)38-16-37-25/h2-11,20,22,27,29,33H,12-16H2,1H3,(H,31,34)(H,32,35)/t20-,22+,27+,29-/m0/s1" ; chebi:inchikey "IQCMSFSSZNINGU-MFJYUDLCSA-N" ; chebi:mass "546.569" ; chebi:monoisotopicmass "546.20022" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14258" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-14-31-27(35)25-22(18-34)24-17-32-23(26(25)33(24)29(37)21-12-15-30-16-13-21)11-10-20(28(32)36)9-8-19-6-4-3-5-7-19/h3-13,15-16,22,24-26,34H,2,14,17-18H2,1H3,(H,31,35)/t22-,24-,25+,26+/m1/s1" ; chebi:inchikey "QXUUMNXHRNLNCE-BPHNFWMXSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1N2C(=O)C5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14259" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14259" . obo:CHEBI_102914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34N2O6S" ; chebi:inchi "InChI=1S/C30H34N2O6S/c1-21-6-5-9-27(16-21)39(35,36)32-18-25(33)19-37-20-29-28(32)15-14-26(38-29)17-30(34)31-24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-13,16,25-26,28-29,33H,14-15,17-20H2,1H3,(H,31,34)/t25-,26-,28+,29-/m0/s1" ; chebi:inchikey "LOPBZILAZMWERO-KGKLHAENSA-N" ; chebi:mass "550.668" ; chebi:monoisotopicmass "550.21376" ; chebi:smiles "CC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14260" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28+/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-RXYILKCJSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14261" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14261" . obo:CHEBI_102916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22+,24-/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-CETSDDCJSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14262" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H27Cl2FN2O5" ; chebi:inchi "InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17-,22-,23+/m1/s1" ; chebi:inchikey "NLZWENHPOORBAO-UOGRCSNTSA-N" ; chebi:mass "525.398" ; chebi:monoisotopicmass "524.12811" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14263" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide" . obo:CHEBI_102918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16+,19-/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-JTDSTZFVSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14264" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31N5O5" ; chebi:inchi "InChI=1S/C24H31N5O5/c1-15-12-29(24(32)20-11-25-8-9-26-20)16(2)14-34-21-7-6-18(27-17(3)30)10-19(21)23(31)28(4)13-22(15)33-5/h6-11,15-16,22H,12-14H2,1-5H3,(H,27,30)/t15-,16+,22-/m0/s1" ; chebi:inchikey "PQYPJTAQDSWLTB-DMPWYTOCSA-N" ; chebi:mass "469.534" ; chebi:monoisotopicmass "469.23252" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=NC=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14265" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_10292 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16124 ; owl:deprecated true . obo:CHEBI_102920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11+,12-/m0/s1" ; chebi:inchikey "PLQUATFCVTZMJC-TUAOUCFPSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@H]([C@@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-14266" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_102921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24-/m0/s1" ; chebi:inchikey "BYJFOJVMGKORHN-SSPYTLHUSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14267" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H31N3O5" ; chebi:inchi "InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20-/m1/s1" ; chebi:inchikey "DXVJXLONGZUJOS-MISYRCLQSA-N" ; chebi:mass "429.510" ; chebi:monoisotopicmass "429.22637" ; chebi:smiles "CN1CCCC(=O)N(C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14268" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14268" . obo:CHEBI_102923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23+,31-/m0/s1" ; chebi:inchikey "NTGYADANNGAILP-LWPQGVMLSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14269" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14269" . obo:CHEBI_102924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C14H18N2O5" ; chebi:inchi "InChI=1S/C14H18N2O5/c17-8-12-11(2-1-10(21-12)7-13(18)19)16-14(20)9-3-5-15-6-4-9/h3-6,10-12,17H,1-2,7-8H2,(H,16,20)(H,18,19)/t10-,11-,12+/m0/s1" ; chebi:inchikey "PLQUATFCVTZMJC-SDDRHHMPSA-N" ; chebi:mass "294.304" ; chebi:monoisotopicmass "294.12157" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)O)CO)NC(=O)C2=CC=NC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-14270" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid" . obo:CHEBI_102925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C23H34FN3O4" ; chebi:inchi "InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20+,21+,22-/m0/s1" ; chebi:inchikey "UZQWVSGPDQQYNK-CBPXPLCBSA-N" ; chebi:mass "435.533" ; chebi:monoisotopicmass "435.25333" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3CC4=CC(=CC=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14271" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_102926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H30FN3O4" ; chebi:inchi "InChI=1S/C22H30FN3O4/c23-16-7-4-8-17(11-16)25-22(29)26-19-10-9-18(30-20(19)14-27)12-21(28)24-13-15-5-2-1-3-6-15/h4,7-11,15,18-20,27H,1-3,5-6,12-14H2,(H,24,28)(H2,25,26,29)/t18-,19-,20-/m0/s1" ; chebi:inchikey "PGYGWAGYUXBZHY-UFYCRDLUSA-N" ; chebi:mass "419.491" ; chebi:monoisotopicmass "419.22203" ; chebi:smiles "C1CCC(CC1)CNC(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14272" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(cyclohexylmethyl)-2-[(2R,3S,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_102927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22-,24+/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-BKULYWANSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14273" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_102928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C28H29N3O5" ; chebi:inchi "InChI=1S/C28H29N3O5/c1-35-23-9-5-8-22(16-23)30-28(34)31-25-15-14-24(36-26(25)18-32)17-27(33)29-21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16,24-26,32H,17-18H2,1H3,(H,29,33)(H2,30,31,34)/t24-,25-,26-/m0/s1" ; chebi:inchikey "HIZAXMBYTZOIAT-GSDHBNRESA-N" ; chebi:mass "487.548" ; chebi:monoisotopicmass "487.21072" ; chebi:smiles "COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14274" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide" . obo:CHEBI_102929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21-,22+,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-MMORHLLASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14275" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14275" . obo:CHEBI_10293 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27907 ; owl:deprecated true . obo:CHEBI_102930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21+,27-/m0/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-ISCCLHIJSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14276" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102930" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C28H33N3O5" ; chebi:inchi "InChI=1S/C28H33N3O5/c1-17-6-8-19(9-7-17)29-26(32)15-21-11-12-23-25(36-21)16-35-24-13-10-20(14-22(24)28(34)31(23)2)30-27(33)18-4-3-5-18/h6-10,13-14,18,21,23,25H,3-5,11-12,15-16H2,1-2H3,(H,29,32)(H,30,33)/t21-,23+,25-/m1/s1" ; chebi:inchikey "MDXGSMRIHHEMMK-NMVJMZGASA-N" ; chebi:mass "491.580" ; chebi:monoisotopicmass "491.24202" ; chebi:smiles "CC1=CC=C(C=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCC5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14277" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclobutanecarboxamide" . obo:CHEBI_102932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H34F2N2O4S" ; chebi:inchi "InChI=1S/C24H34F2N2O4S/c1-17-6-9-22(10-7-17)33(30,31)28(19(3)16-29)13-18(2)24(32-5)15-27(4)14-20-12-21(25)8-11-23(20)26/h6-12,18-19,24,29H,13-16H2,1-5H3/t18-,19+,24+/m0/s1" ; chebi:inchikey "VKCFDPYGFDYBIC-XLNZFTOWSA-N" ; chebi:mass "484.602" ; chebi:monoisotopicmass "484.22074" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14278" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_102933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H28F3N3O6" ; chebi:inchi "InChI=1S/C26H28F3N3O6/c1-32-20-8-7-18(12-23(33)30-14-26(27,28)29)38-22(20)13-37-21-9-6-16(11-19(21)25(32)35)31-24(34)15-4-3-5-17(10-15)36-2/h3-6,9-11,18,20,22H,7-8,12-14H2,1-2H3,(H,30,33)(H,31,34)/t18-,20+,22+/m1/s1" ; chebi:inchikey "RKECGHSSKXUWCJ-CBQOVEMMSA-N" ; chebi:mass "535.513" ; chebi:monoisotopicmass "535.19302" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14279" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_102934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H28F2N2O5" ; chebi:inchi "InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "LJZGTTWSAOWWCB-MKXGPGLRSA-N" ; chebi:mass "426.455" ; chebi:monoisotopicmass "426.19663" ; chebi:smiles "CCC(=O)N1C[C@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14280" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_102935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22-,24-/m0/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-ZDUIBRFZSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14281" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5" ; chebi:inchi "InChI=1S/C32H36FN3O5/c1-21-18-36(32(39)25-12-8-9-13-27(25)33)22(2)20-41-28-17-24(34-30(37)16-23-10-6-5-7-11-23)14-15-26(28)31(38)35(3)19-29(21)40-4/h5-15,17,21-22,29H,16,18-20H2,1-4H3,(H,34,37)/t21-,22+,29-/m0/s1" ; chebi:inchikey "QUELGMPZNWRZSJ-KERYWQKISA-N" ; chebi:mass "561.645" ; chebi:monoisotopicmass "561.26390" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-14282" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28+/m1/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-INOCPDNRSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14283" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_102938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN4O5" ; chebi:inchi "InChI=1S/C27H33FN4O5/c1-16(2)30-27(35)31-19-8-11-23-21(12-19)26(34)32(3)22-10-9-20(37-24(22)15-36-23)13-25(33)29-14-17-4-6-18(28)7-5-17/h4-8,11-12,16,20,22,24H,9-10,13-15H2,1-3H3,(H,29,33)(H2,30,31,35)/t20-,22-,24+/m1/s1" ; chebi:inchikey "CMDXATVLXHEPLP-BKULYWANSA-N" ; chebi:mass "512.574" ; chebi:monoisotopicmass "512.24350" ; chebi:smiles "CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14284" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide" . obo:CHEBI_102939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C22H26N2O3" ; chebi:inchi "InChI=1S/C22H26N2O3/c1-27-15-21(26)24-19(13-23)22(20(24)14-25)18-11-9-17(10-12-18)8-4-7-16-5-2-3-6-16/h9-12,16,19-20,22,25H,2-3,5-7,14-15H2,1H3/t19-,20-,22+/m0/s1" ; chebi:inchikey "FOQJOAXBJHEYGA-JAXLGGSGSA-N" ; chebi:mass "366.454" ; chebi:monoisotopicmass "366.19434" ; chebi:smiles "COCC(=O)N1[C@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14285" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile" . obo:CHEBI_10294 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27848 ; owl:deprecated true . obo:CHEBI_102940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C16H28N2O4" ; chebi:inchi "InChI=1S/C16H28N2O4/c1-18-8-12(19)9-21-10-15-14(18)6-5-13(22-15)7-16(20)17-11-3-2-4-11/h11-15,19H,2-10H2,1H3,(H,17,20)/t12-,13+,14+,15-/m0/s1" ; chebi:inchikey "JDRFUATZRDBDCA-YJNKXOJESA-N" ; chebi:mass "312.405" ; chebi:monoisotopicmass "312.20491" ; chebi:smiles "CN1C[C@@H](COC[C@H]2[C@H]1CC[C@@H](O2)CC(=O)NC3CCC3)O" ; oboInOwl:hasDbXref "LINCS:LSM-14286" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8R,10aR)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H36N4O4" ; chebi:inchi "InChI=1S/C22H36N4O4/c1-14(2)23-22(28)24-17-8-9-18-19(10-17)30-13-16(4)25(5)11-15(3)20(29-7)12-26(6)21(18)27/h8-10,14-16,20H,11-13H2,1-7H3,(H2,23,24,28)/t15-,16+,20+/m1/s1" ; chebi:inchikey "AADVJQLQUVDEBP-GUXCAODWSA-N" ; chebi:mass "420.546" ; chebi:monoisotopicmass "420.27366" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14287" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_102942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23697 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O4" ; chebi:inchi "InChI=1S/C19H26Cl2N2O4/c1-22-19(25)7-14-3-5-17-18(27-14)11-26-10-13(24)9-23(17)8-12-2-4-15(20)16(21)6-12/h2,4,6,13-14,17-18,24H,3,5,7-11H2,1H3,(H,22,25)/t13-,14-,17-,18+/m0/s1" ; chebi:inchikey "ZCDZHCWZNJFIKB-DFEHZGFQSA-N" ; chebi:mass "417.327" ; chebi:monoisotopicmass "416.12696" ; chebi:smiles "CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14288" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide" . obo:CHEBI_102943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H30FN3O5" ; chebi:inchi "InChI=1S/C21H30FN3O5/c22-16-3-1-2-15(10-16)12-23-20(27)11-17-4-5-18(19(14-26)30-17)24-21(28)13-25-6-8-29-9-7-25/h1-3,10,17-19,26H,4-9,11-14H2,(H,23,27)(H,24,28)/t17-,18-,19+/m0/s1" ; chebi:inchikey "ZEQYNXCYKJRRAG-GBESFXJTSA-N" ; chebi:mass "423.479" ; chebi:monoisotopicmass "423.21695" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14289" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_102944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C25H30FN3O6S" ; chebi:inchi "InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21-,23+/m1/s1" ; chebi:inchikey "MAZJZTZSELFTOO-AAIMPIBUSA-N" ; chebi:mass "519.588" ; chebi:monoisotopicmass "519.18394" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14290" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_102945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25-,27+,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-WLIZDUGGSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14291" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C26H32N6O3" ; chebi:inchi "InChI=1S/C26H32N6O3/c1-3-11-31-22-14-32-21(7-6-19(26(32)35)17-5-4-9-27-12-17)24(31)23(20(22)15-33)25(34)28-10-8-18-13-30(2)16-29-18/h4-7,9,12-13,16,20,22-24,33H,3,8,10-11,14-15H2,1-2H3,(H,28,34)/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "HJZHDZIYUXDLGN-IQFVJIFQSA-N" ; chebi:mass "476.572" ; chebi:monoisotopicmass "476.25359" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC5=CN(C=N5)C" ; oboInOwl:hasDbXref "LINCS:LSM-14292" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14292" . obo:CHEBI_102947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22-,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-QREOPNFFSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14293" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14293" . obo:CHEBI_102948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H25ClN2O6S" ; chebi:inchi "InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18+,20-,22-/m0/s1" ; chebi:inchikey "LWPDCVYPXSZOFH-UPSSIMKTSA-N" ; chebi:mass "480.964" ; chebi:monoisotopicmass "480.11219" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14294" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102948" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_102949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16-,17+,18-/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-FJIDUMEYSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14295" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_10295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48649 . _:b1820 rdf:type owl:Restriction . obo:CHEBI_10295 rdfs:subClassOf _:b1820 . _:b1820 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_48677 . obo:CHEBI_10295 chebi:charge "0" ; chebi:formula "C6H12O6" ; chebi:inchi "InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1" ; chebi:inchikey "LKDRXBCSQODPBY-BGPJRJDNSA-N" ; chebi:mass "180.15588" ; chebi:monoisotopicmass "180.06339" ; chebi:smiles "OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O" ; oboInOwl:hasDbXref "Beilstein:1423190" ; oboInOwl:hasDbXref "CAS:470-15-5" ; oboInOwl:hasDbXref "Gmelin:1007083" ; oboInOwl:hasDbXref "KEGG:C08356" ; oboInOwl:hasExactSynonym "alpha-L-Sorbopyranose" ; oboInOwl:hasExactSynonym "alpha-L-sorbopyranose" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10295" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-L-sorbopyranose" . _:b1821 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10295 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1423190" ; rdfs:label "Beilstein" . _:b1822 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10295 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:470-15-5" ; rdfs:label "KEGG COMPOUND" . _:b1823 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10295 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:1007083" ; rdfs:label "Gmelin" . _:b1824 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10295 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-L-Sorbopyranose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1825 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10295 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-L-sorbopyranose" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . obo:CHEBI_102950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C35H36N4O4S" ; chebi:inchi "InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-23-11-13-29(43-4)14-12-23)38-33(32(28)31(39)15-16-40)27-10-6-9-26(18-27)25-8-5-7-24(17-25)20-36/h5-14,17-19,31,40H,15-16,21-22H2,1-4H3,(H,37,41)/t31-,44-/m1/s1" ; chebi:inchikey "NEVKZQRLDPRUMB-VRESAINUSA-N" ; chebi:mass "608.752" ; chebi:monoisotopicmass "608.24573" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14296" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_102951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H38N4O5S" ; chebi:inchi "InChI=1S/C33H38N4O5S/c1-36-28-11-10-25(17-31(38)35-24-13-14-37(20-24)19-22-6-3-2-4-7-22)42-30(28)21-41-29-12-9-23(16-27(29)33(36)40)34-32(39)18-26-8-5-15-43-26/h2-9,12,15-16,24-25,28,30H,10-11,13-14,17-21H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,30-/m1/s1" ; chebi:inchikey "YIAMBQQGWRAZTQ-MFTQKCFDSA-N" ; chebi:mass "602.746" ; chebi:monoisotopicmass "602.25629" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6" ; oboInOwl:hasDbXref "LINCS:LSM-14297" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_102952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C27H35N3O3" ; chebi:inchi "InChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "WKBGSUAXJVLQSN-IMWIBFENSA-N" ; chebi:mass "449.586" ; chebi:monoisotopicmass "449.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14298" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14298" . obo:CHEBI_102953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23-/m0/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IXFSTUDKSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14299" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_102954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C30H26F2N4O5" ; chebi:inchi "InChI=1S/C30H26F2N4O5/c1-36-25-10-8-21(14-28(37)35-24-12-19(31)6-9-23(24)32)41-27(25)16-40-26-11-7-20(13-22(26)30(36)39)34-29(38)18-4-2-17(15-33)3-5-18/h2-7,9,11-13,21,25,27H,8,10,14,16H2,1H3,(H,34,38)(H,35,37)/t21-,25+,27-/m1/s1" ; chebi:inchikey "HZZMILAACSDJOI-NKPLSRDGSA-N" ; chebi:mass "560.549" ; chebi:monoisotopicmass "560.18713" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)CC(=O)NC5=C(C=CC(=C5)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14300" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,5-difluoroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide" . obo:CHEBI_102955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C26H32N4O6" ; chebi:inchi "InChI=1S/C26H32N4O6/c1-15-11-20(29-36-15)25(32)28-17-7-10-22-19(12-17)26(33)30(2)21-9-8-18(35-23(21)14-34-22)13-24(31)27-16-5-3-4-6-16/h7,10-12,16,18,21,23H,3-6,8-9,13-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,21+,23-/m0/s1" ; chebi:inchikey "OWLQYYZEQLHDAT-ZEYPLWLESA-N" ; chebi:mass "496.556" ; chebi:monoisotopicmass "496.23218" ; chebi:smiles "CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)NC5CCCC5)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14301" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_102956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26+/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-NLJWQWLVSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14302" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14302" . obo:CHEBI_102957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19-,24+/m0/s1" ; chebi:inchikey "FGARXSMYVPQAMN-AXHZCLLHSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-14303" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_102958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m0/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-XHNVNVPESA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14304" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6S,9S)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_102959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H30ClN3O5S" ; chebi:inchi "InChI=1S/C23H30ClN3O5S/c1-15-12-25-16(2)14-32-21-11-18(26-33(29,30)19-7-5-6-17(24)10-19)8-9-20(21)23(28)27(3)13-22(15)31-4/h5-11,15-16,22,25-26H,12-14H2,1-4H3/t15-,16-,22-/m1/s1" ; chebi:inchikey "PSXVKIUCJIMJLV-XCGNWRKASA-N" ; chebi:mass "496.021" ; chebi:monoisotopicmass "495.15947" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14305" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide" . obo:CHEBI_10296 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17716 ; owl:deprecated true . obo:CHEBI_102960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22-/m0/s1" ; chebi:inchikey "WFGAJOALFFTPKS-HOIFWPIMSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14306" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H32N4O5" ; chebi:inchi "InChI=1S/C26H32N4O5/c1-29(2)24(31)14-19-10-11-21-23(35-19)16-34-22-12-9-18(13-20(22)25(32)30(21)3)28-26(33)27-15-17-7-5-4-6-8-17/h4-9,12-13,19,21,23H,10-11,14-16H2,1-3H3,(H2,27,28,33)/t19-,21+,23+/m1/s1" ; chebi:inchikey "IOGMTQBPALZMTJ-NWSQWKLXSA-N" ; chebi:mass "480.557" ; chebi:monoisotopicmass "480.23727" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14307" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide" . obo:CHEBI_102962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C29H32N2O5" ; chebi:inchi "InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27+,29-/m1/s1" ; chebi:inchikey "MRJCPWMBHXTRFB-KYYACDKCSA-N" ; chebi:mass "488.576" ; chebi:monoisotopicmass "488.23112" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14308" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_102963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37FN6O6" ; chebi:inchi "InChI=1S/C30H37FN6O6/c1-17-14-37(30(40)34-27-19(3)35-43-20(27)4)18(2)16-42-25-11-10-23(13-24(25)28(38)36(5)15-26(17)41-6)33-29(39)32-22-9-7-8-21(31)12-22/h7-13,17-18,26H,14-16H2,1-6H3,(H,34,40)(H2,32,33,39)/t17-,18+,26+/m0/s1" ; chebi:inchikey "DJGRJRLVSKCCNZ-CUAXAMRHSA-N" ; chebi:mass "596.651" ; chebi:monoisotopicmass "596.27586" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14309" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R,7S,8S)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide" . obo:CHEBI_102964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26N2O6S" ; chebi:inchi "InChI=1S/C19H26N2O6S/c1-28(24,25)21-12-4-5-16-14(6-12)15-7-13(26-17(10-22)19(15)27-16)8-18(23)20-9-11-2-3-11/h4-6,11,13,15,17,19,21-22H,2-3,7-10H2,1H3,(H,20,23)/t13-,15+,17+,19-/m1/s1" ; chebi:inchikey "YSCGDHRCRJHNHR-FDZBUTDGSA-N" ; chebi:mass "410.486" ; chebi:monoisotopicmass "410.15116" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14310" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_102965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H29Cl2N3O5" ; chebi:inchi "InChI=1S/C22H29Cl2N3O5/c23-17-6-4-14(8-18(17)24)26-22(30)27-10-15(28)11-31-12-20-19(27)7-5-16(32-20)9-21(29)25-13-2-1-3-13/h4,6,8,13,15-16,19-20,28H,1-3,5,7,9-12H2,(H,25,29)(H,26,30)/t15-,16+,19-,20+/m1/s1" ; chebi:inchikey "KPSAIAGNOOFEEI-GJJHYRHESA-N" ; chebi:mass "486.389" ; chebi:monoisotopicmass "485.14843" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=C(C=C4)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14311" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_102966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18-,20-,21-,22+/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-RRJBWHJASA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14312" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14312" . obo:CHEBI_102967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19-,21-,23+/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-RAQQXGOJSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14313" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_102968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H23FN4O4" ; chebi:inchi "InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17-,18-/m1/s1" ; chebi:inchikey "KXCVLZMSFBFHGZ-KZNAEPCWSA-N" ; chebi:mass "402.420" ; chebi:monoisotopicmass "402.17033" ; chebi:smiles "C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14314" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide" . obo:CHEBI_102969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H32ClN3O6S" ; chebi:inchi "InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28+/m1/s1" ; chebi:inchikey "UIBIEJVTTJAUBZ-MVSIMOHVSA-N" ; chebi:mass "598.112" ; chebi:monoisotopicmass "597.17003" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14315" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10297 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28771 ; owl:deprecated true . obo:CHEBI_102970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O4S" ; chebi:inchi "InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23+/m1/s1" ; chebi:inchikey "BNYRIOADMGPGIR-MSYCTHLASA-N" ; chebi:mass "469.039" ; chebi:monoisotopicmass "468.18496" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14316" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_102971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H39N3O5" ; chebi:inchi "InChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m0/s1" ; chebi:inchikey "NNLRSZHLKPFWRY-XWGVYQGASA-N" ; chebi:mass "497.627" ; chebi:monoisotopicmass "497.28897" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14317" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14317" . obo:CHEBI_102972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H34N4O6" ; chebi:inchi "InChI=1S/C31H34N4O6/c1-35-25-9-8-22(18-29(36)33-16-13-20-11-14-32-15-12-20)41-28(25)19-40-27-10-7-21(17-24(27)31(35)38)34-30(37)23-5-3-4-6-26(23)39-2/h3-7,10-12,14-15,17,22,25,28H,8-9,13,16,18-19H2,1-2H3,(H,33,36)(H,34,37)/t22-,25-,28+/m1/s1" ; chebi:inchikey "PQVOHAVDCPBJEV-OKEQGEBHSA-N" ; chebi:mass "558.626" ; chebi:monoisotopicmass "558.24783" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4OC)CC(=O)NCCC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14318" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide" . obo:CHEBI_102973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-25(2)15-3-4-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-7-23-8-6-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m0/s1" ; chebi:inchikey "ISIKKEOWKJPDMG-JXYHXMIBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14319" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_102974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-18-14-32(19(2)16-33)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)17-36-26(18)15-31(5)29(35)27-20(3)30-37-21(27)4/h6-13,18-19,26,33H,14-17H2,1-5H3/t18-,19-,26+/m1/s1" ; chebi:inchikey "KKDNYDXSJAWXCE-UDCNLSRBSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14320" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14320" . obo:CHEBI_102975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C22H31FN2O4" ; chebi:inchi "InChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "LTCDBOWOUBSGLM-JYAXBFRTSA-N" ; chebi:mass "406.492" ; chebi:monoisotopicmass "406.22679" ; chebi:smiles "C1CC(C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC=CC=C4F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14321" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide" . obo:CHEBI_102976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24-,25+/m0/s1" ; chebi:inchikey "HZAABOSBDYXUMN-WAABAYLZSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CCC(F)(F)F)O)O[C@@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14322" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_102977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H21NO7S" ; chebi:inchi "InChI=1S/C16H21NO7S/c1-22-15(19)7-10-6-12-11-5-9(17-25(2,20)21)3-4-13(11)24-16(12)14(8-18)23-10/h3-5,10,12,14,16-18H,6-8H2,1-2H3/t10-,12+,14+,16-/m1/s1" ; chebi:inchikey "STSQWNRYWIJNCW-IFXMJZAHSA-N" ; chebi:mass "371.407" ; chebi:monoisotopicmass "371.10387" ; chebi:smiles "COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14323" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester" . obo:CHEBI_102978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O5" ; chebi:inchi "InChI=1S/C29H39N3O5/c1-19-15-32(16-21-6-11-24(35-4)12-7-21)20(2)18-37-26-13-10-23(30-28(33)22-8-9-22)14-25(26)29(34)31(3)17-27(19)36-5/h6-7,10-14,19-20,22,27H,8-9,15-18H2,1-5H3,(H,30,33)/t19-,20-,27-/m1/s1" ; chebi:inchikey "SOKZPMDKQQIJSP-SEXOINJZSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.28897" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=CC=C(C=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14324" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-5-[(4-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_102979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H31N3O5" ; chebi:inchi "InChI=1S/C29H31N3O5/c1-18(20-5-3-2-4-6-20)31-28(35)16-22-15-24-23-14-21(32-27(34)13-19-9-11-30-12-10-19)7-8-25(23)37-29(24)26(17-33)36-22/h2-12,14,18,22,24,26,29,33H,13,15-17H2,1H3,(H,31,35)(H,32,34)/t18-,22+,24-,26-,29+/m0/s1" ; chebi:inchikey "XWECZACFMCVSEP-BLOQNXOGSA-N" ; chebi:mass "501.575" ; chebi:monoisotopicmass "501.22637" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14325" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_10298 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27432 ; owl:deprecated true . obo:CHEBI_102980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C19H18N2O" ; chebi:inchi "InChI=1S/C19H18N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-11,17-19,21-22H,13H2/t17-,18+,19+/m0/s1" ; chebi:inchikey "XJSDSDQJCAYADY-IPMKNSEASA-N" ; chebi:mass "290.360" ; chebi:monoisotopicmass "290.14191" ; chebi:smiles "C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[C@H]3[C@H](N[C@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14326" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14326" . obo:CHEBI_102981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18-,20-,22+,25+/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-WTCIDABWSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14327" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_102982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C25H32N4O5" ; chebi:inchi "InChI=1S/C25H32N4O5/c1-4-12-27-25(33)29-19-13-28-18(22(29)21(17(19)14-30)23(31)26-5-2)11-10-16(24(28)32)15-8-6-7-9-20(15)34-3/h6-11,17,19,21-22,30H,4-5,12-14H2,1-3H3,(H,26,31)(H,27,33)/t17-,19-,21+,22+/m1/s1" ; chebi:inchikey "RDJLSMVLUOAMPE-IVOMFYJKSA-N" ; chebi:mass "468.546" ; chebi:monoisotopicmass "468.23727" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC" ; oboInOwl:hasDbXref "LINCS:LSM-14328" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14328" . obo:CHEBI_102983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C21H26N2O6" ; chebi:inchi "InChI=1S/C21H26N2O6/c24-12-19-16(22-21(26)14-4-7-17-18(10-14)28-13-27-17)6-5-15(29-19)11-20(25)23-8-2-1-3-9-23/h4-7,10,15-16,19,24H,1-3,8-9,11-13H2,(H,22,26)/t15-,16-,19+/m1/s1" ; chebi:inchikey "ZKMZGYJTUFHVCC-MDZRGWNJSA-N" ; chebi:mass "402.442" ; chebi:monoisotopicmass "402.17909" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14329" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O6S" ; chebi:inchi "InChI=1S/C23H28N2O6S/c1-32(28,29)25-16-7-8-20-18(11-16)19-12-17(30-21(14-26)23(19)31-20)13-22(27)24-10-9-15-5-3-2-4-6-15/h2-8,11,17,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t17-,19-,21+,23+/m0/s1" ; chebi:inchikey "TVZJESBMTOHXDE-VARILPKDSA-N" ; chebi:mass "460.545" ; chebi:monoisotopicmass "460.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14330" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_102985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H34N4O6" ; chebi:inchi "InChI=1S/C27H34N4O6/c1-30-9-11-31(12-10-30)25(33)15-20-14-22-21-13-18(5-8-23(21)37-26(22)24(16-32)36-20)29-27(34)28-17-3-6-19(35-2)7-4-17/h3-8,13,20,22,24,26,32H,9-12,14-16H2,1-2H3,(H2,28,29,34)/t20-,22+,24+,26-/m0/s1" ; chebi:inchikey "OQZDFPDHTDCUCP-RXDHMRHRSA-N" ; chebi:mass "510.583" ; chebi:monoisotopicmass "510.24783" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=C(C=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14331" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_102986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N5O4S" ; chebi:inchi "InChI=1S/C22H27N5O4S/c1-16-4-7-19(8-5-16)32(29,30)25-20-9-6-18(31-22(20)15-28)10-12-27-14-21(24-26-27)17-3-2-11-23-13-17/h2-5,7-8,11,13-14,18,20,22,25,28H,6,9-10,12,15H2,1H3/t18-,20-,22-/m1/s1" ; chebi:inchikey "AGCDJJGGWAFKHW-SYYKKAFVSA-N" ; chebi:mass "457.548" ; chebi:monoisotopicmass "457.17838" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14332" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_102987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H35N3O4" ; chebi:inchi "InChI=1S/C23H35N3O4/c1-25(2)16-6-7-20-18(12-16)19-13-17(29-21(15-27)23(19)30-20)14-22(28)24-8-11-26-9-4-3-5-10-26/h6-7,12,17,19,21,23,27H,3-5,8-11,13-15H2,1-2H3,(H,24,28)/t17-,19-,21-,23+/m1/s1" ; chebi:inchikey "HWEAQBDEOFZYHR-LHWDRQQYSA-N" ; chebi:mass "417.543" ; chebi:monoisotopicmass "417.26276" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCCN4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14333" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C37H46N4O4" ; chebi:inchi "InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33-/m1/s1" ; chebi:inchikey "UJZHWGMAKJZUOC-RZKQZDRJSA-N" ; chebi:mass "610.787" ; chebi:monoisotopicmass "610.35191" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14334" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14334" . obo:CHEBI_102989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17+,23+/m0/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-YGKZAACZSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14335" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102989" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_102990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C25H30N4O4" ; chebi:inchi "InChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21-,23-/m0/s1" ; chebi:inchikey "USGDOGGJJOICMT-FUDKSRODSA-N" ; chebi:mass "450.531" ; chebi:monoisotopicmass "450.22671" ; chebi:smiles "C1CN(CCC1CC2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14336" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102990" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide" . obo:CHEBI_102991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H38ClN5O5" ; chebi:inchi "InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25-,27+/m1/s1" ; chebi:inchikey "XIGYLWQKLZSYNZ-HYZYYIOASA-N" ; chebi:mass "584.107" ; chebi:monoisotopicmass "583.25615" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14337" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_102992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18-,20-/m1/s1" ; chebi:inchikey "MPULVBUDJGIXBK-YVWKXTFCSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14338" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_102993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19-,23+/m1/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-PWHSHALESA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14339" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_102994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-2-13-29-28(36)32-23-17-31-22(9-6-10-24(31)34)26(32)25(21(23)18-33)27(35)30-14-11-20(12-15-30)16-19-7-4-3-5-8-19/h3-10,20-21,23,25-26,33H,2,11-18H2,1H3,(H,29,36)/t21-,23-,25+,26+/m1/s1" ; chebi:inchikey "VALQRGDBSGWYJJ-KUSCKROYSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=O)C=CC=C3[C@H]1[C@H]([C@@H]2CO)C(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14340" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14340" . obo:CHEBI_102995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H32F2N4O4" ; chebi:inchi "InChI=1S/C25H32F2N4O4/c1-15-12-30(3)16(2)14-35-22-11-18(7-8-19(22)24(32)31(4)13-23(15)34-5)28-25(33)29-21-10-17(26)6-9-20(21)27/h6-11,15-16,23H,12-14H2,1-5H3,(H2,28,29,33)/t15-,16+,23-/m0/s1" ; chebi:inchikey "AKULYVRZEMKLJR-PXAQALGRSA-N" ; chebi:mass "490.544" ; chebi:monoisotopicmass "490.23916" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14341" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,5-difluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_102996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H35ClN2O4S" ; chebi:inchi "InChI=1S/C24H35ClN2O4S/c1-18-10-12-22(13-11-18)32(29,30)26(4)16-24(31-5)19(2)14-27(20(3)17-28)15-21-8-6-7-9-23(21)25/h6-13,19-20,24,28H,14-17H2,1-5H3/t19-,20+,24+/m0/s1" ; chebi:inchikey "OWPXWWCVMFAFIQ-DCLXLUIPSA-N" ; chebi:mass "483.066" ; chebi:monoisotopicmass "482.20061" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14342" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_102997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H29N3O6" ; chebi:inchi "InChI=1S/C21H29N3O6/c1-23-6-8-24(9-7-23)20(26)11-15-3-4-16(19(12-25)30-15)22-21(27)14-2-5-17-18(10-14)29-13-28-17/h2,5,10,15-16,19,25H,3-4,6-9,11-13H2,1H3,(H,22,27)/t15-,16+,19-/m1/s1" ; chebi:inchikey "OCHDOPTVTSINTO-JTDSTZFVSA-N" ; chebi:mass "419.472" ; chebi:monoisotopicmass "419.20564" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14343" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_102998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21-,22+,23-/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-NHYSTBNRSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14344" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14344" . obo:CHEBI_102999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H36FN3O5S" ; chebi:inchi "InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "PCQGWFREXHAZIT-WENCSYSZSA-N" ; chebi:mass "593.711" ; chebi:monoisotopicmass "593.23597" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14345" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:102999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14345" . obo:CHEBI_103 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15411 ; owl:deprecated true . obo:CHEBI_1030 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17764 ; owl:deprecated true . obo:CHEBI_10300 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18167 ; owl:deprecated true . obo:CHEBI_103000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C25H29N3O3" ; chebi:inchi "InChI=1S/C25H29N3O3/c1-31-21-13-11-18(12-14-21)17-7-9-19(10-8-17)24-22(15-26)28(23(24)16-29)25(30)27-20-5-3-2-4-6-20/h7-14,20,22-24,29H,2-6,16H2,1H3,(H,27,30)/t22-,23-,24-/m0/s1" ; chebi:inchikey "UEJLJRRJJUOYFY-HJOGWXRNSA-N" ; chebi:mass "419.517" ; chebi:monoisotopicmass "419.22089" ; chebi:smiles "COC1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)NC4CCCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14346" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide" . obo:CHEBI_103001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22-,28+/m1/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-XJGOYTCSSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14347" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14347" . obo:CHEBI_103002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22+,23+/m1/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-UNVSHWJJSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14348" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14348" . obo:CHEBI_103003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O3" ; chebi:inchi "InChI=1S/C27H36N2O3/c1-19-14-29(20(2)17-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-22(23)18-32-26(19)16-28(3)15-21-12-13-21/h4-11,19-21,26,30H,12-18H2,1-3H3/t19-,20+,26+/m0/s1" ; chebi:inchikey "XOTAGUVNSWBDBY-OUDXUNEISA-N" ; chebi:mass "436.587" ; chebi:monoisotopicmass "436.27259" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4CC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14349" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14349" . obo:CHEBI_103004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C30H36FN3O5" ; chebi:inchi "InChI=1S/C30H36FN3O5/c1-34-25-12-11-23(16-28(35)32-17-19-6-3-2-4-7-19)39-27(25)18-38-26-13-10-22(15-24(26)30(34)37)33-29(36)20-8-5-9-21(31)14-20/h5,8-10,13-15,19,23,25,27H,2-4,6-7,11-12,16-18H2,1H3,(H,32,35)(H,33,36)/t23-,25+,27-/m1/s1" ; chebi:inchikey "BSKZHQCAOYVBFU-NRRYGQPISA-N" ; chebi:mass "537.623" ; chebi:monoisotopicmass "537.26390" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14350" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide" . obo:CHEBI_103005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22+,23-/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-OMYJKWGRSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14351" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14351" . obo:CHEBI_103006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C31H41N3O6" ; chebi:inchi "InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25+,27-,29+/m1/s1" ; chebi:inchikey "PLPDORRRKBPITR-IMBSVQIASA-N" ; chebi:mass "551.675" ; chebi:monoisotopicmass "551.29954" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14352" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20-,22-,24+/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-RKONGDRVSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14353" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C22H32F3N3O4" ; chebi:inchi "InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15-,19+/m0/s1" ; chebi:inchikey "GUZASBNVYSIPQO-YZVOILCLSA-N" ; chebi:mass "459.503" ; chebi:monoisotopicmass "459.23449" ; chebi:smiles "C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14354" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide" . obo:CHEBI_103009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C19H28F3N3O5S" ; chebi:inchi "InChI=1S/C19H28F3N3O5S/c1-12-8-23-13(2)10-30-16-7-14(24-31(27,28)11-19(20,21)22)5-6-15(16)18(26)25(3)9-17(12)29-4/h5-7,12-13,17,23-24H,8-11H2,1-4H3/t12-,13+,17-/m1/s1" ; chebi:inchikey "BGDCTPQGAPJUMB-IIYDPXPESA-N" ; chebi:mass "467.505" ; chebi:monoisotopicmass "467.17018" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14355" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_103010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "IDILRECQKBLRIF-VPYPWEPUSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14356" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14356" . obo:CHEBI_103011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25+,27-/m0/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-BBVYRSAVSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-14357" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103011" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C29H37FN2O6S" ; chebi:inchi "InChI=1S/C29H37FN2O6S/c30-25-8-4-5-9-28(25)39(35,36)32-18-23(33)19-37-20-27-26(32)11-10-24(38-27)17-29(34)31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-9,22-24,26-27,33H,10-20H2/t23-,24+,26-,27+/m0/s1" ; chebi:inchikey "SAJFZBDCMOWFNB-AEZNDSDVSA-N" ; chebi:mass "560.679" ; chebi:monoisotopicmass "560.23564" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14358" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103012" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_103013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H35N3O5" ; chebi:inchi "InChI=1S/C25H35N3O5/c29-15-22-24-20(13-18(32-22)14-23(30)28-10-4-1-5-11-28)19-12-17(8-9-21(19)33-24)27-25(31)26-16-6-2-3-7-16/h8-9,12,16,18,20,22,24,29H,1-7,10-11,13-15H2,(H2,26,27,31)/t18-,20-,22+,24+/m0/s1" ; chebi:inchikey "GFIPGJIGSRXJBU-YCYVKTGYSA-N" ; chebi:mass "457.563" ; chebi:monoisotopicmass "457.25767" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14359" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea" . obo:CHEBI_103014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H15FN2O" ; chebi:inchi "InChI=1S/C19H15FN2O/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)19-17(11-21)22-18(19)12-23/h1-4,6-7,9-10,17-19,22-23H,12H2/t17-,18-,19-/m0/s1" ; chebi:inchikey "BQRBXGWYUGGWQF-FHWLQOOXSA-N" ; chebi:mass "306.334" ; chebi:monoisotopicmass "306.11684" ; chebi:smiles "C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F" ; oboInOwl:hasDbXref "LINCS:LSM-14360" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C29H35N3O7" ; chebi:inchi "InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24-,26-/m1/s1" ; chebi:inchikey "VRPVHEJOGHTQDQ-QIGHUWCUSA-N" ; chebi:mass "537.605" ; chebi:monoisotopicmass "537.24750" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14361" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F3N5O5" ; chebi:inchi "InChI=1S/C25H32F3N5O5/c1-32-11-18(30-15-32)8-9-29-23(35)10-20-6-7-21-22(38-20)14-37-13-19(34)12-33(21)24(36)31-17-4-2-16(3-5-17)25(26,27)28/h2-5,11,15,19-22,34H,6-10,12-14H2,1H3,(H,29,35)(H,31,36)/t19-,20-,21+,22-/m0/s1" ; chebi:inchikey "TWGHTEGHSVIJBR-KJJMTIBFSA-N" ; chebi:mass "539.548" ; chebi:monoisotopicmass "539.23555" ; chebi:smiles "CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14362" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8S,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C31H30FN3O7" ; chebi:inchi "InChI=1S/C31H30FN3O7/c1-35-24-9-8-20(14-29(36)33-15-18-6-10-26-27(12-18)41-17-40-26)42-28(24)16-39-25-11-7-19(13-22(25)31(35)38)34-30(37)21-4-2-3-5-23(21)32/h2-7,10-13,20,24,28H,8-9,14-17H2,1H3,(H,33,36)(H,34,37)/t20-,24+,28-/m0/s1" ; chebi:inchikey "GPWYEVCXUJXIOI-VGKYISKLSA-N" ; chebi:mass "575.585" ; chebi:monoisotopicmass "575.20678" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14363" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aR,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide" . obo:CHEBI_103018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C24H28N4O4" ; chebi:inchi "InChI=1S/C24H28N4O4/c29-17-22-21(26-24(31)18-8-10-25-11-9-18)7-6-20(32-22)16-23(30)28-14-12-27(13-15-28)19-4-2-1-3-5-19/h1-11,20-22,29H,12-17H2,(H,26,31)/t20-,21+,22-/m0/s1" ; chebi:inchikey "BQXPJFPCKYJDQK-BDTNDASRSA-N" ; chebi:mass "436.504" ; chebi:monoisotopicmass "436.21106" ; chebi:smiles "C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14364" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide" . obo:CHEBI_103019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29+/m1/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-NLFWHDTNSA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14365" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_10302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35338 ; chebi:charge "0" ; chebi:formula "C9H13NO" ; chebi:inchi "InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3" ; chebi:inchikey "WTDGMHYYGNJEKQ-UHFFFAOYSA-N" ; chebi:mass "151.206" ; chebi:monoisotopicmass "151.09971" ; chebi:smiles "CC(N)Cc1cccc(O)c1" ; oboInOwl:hasDbXref "CAS:1075-61-2" ; oboInOwl:hasDbXref "CAS:18840-47-6" ; oboInOwl:hasDbXref "Drug_Central:1290" ; oboInOwl:hasDbXref "KEGG:C11776" ; oboInOwl:hasExactSynonym "alpha-Methyl-m-tyramine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Gepefrine" ; oboInOwl:hasRelatedSynonym "d-alpha-Methyl-m-tyramine" ; oboInOwl:id "CHEBI:10302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Methyl-m-tyramine" . _:b1826 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1075-61-2" ; rdfs:label "KEGG COMPOUND" . _:b1827 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:18840-47-6" ; rdfs:label "DrugCentral" . _:b1828 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1290" ; rdfs:label "DrugCentral" . _:b1829 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Methyl-m-tyramine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1830 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Gepefrine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1831 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10302 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "d-alpha-Methyl-m-tyramine" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_103020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H39N3O6S" ; chebi:inchi "InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29-/m0/s1" ; chebi:inchikey "VHDWJFVGOVHSLC-BOSRLCDASA-N" ; chebi:mass "605.747" ; chebi:monoisotopicmass "605.25596" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14366" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103020" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14366" . obo:CHEBI_103021 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H28N2O6S" ; chebi:inchi "InChI=1S/C20H28N2O6S/c1-29(25,26)22-13-6-7-17-15(8-13)16-9-14(27-18(11-23)20(16)28-17)10-19(24)21-12-4-2-3-5-12/h6-8,12,14,16,18,20,22-23H,2-5,9-11H2,1H3,(H,21,24)/t14-,16+,18+,20-/m0/s1" ; chebi:inchikey "BEWGTMHICYCEOA-UQWBFEFOSA-N" ; chebi:mass "424.513" ; chebi:monoisotopicmass "424.16681" ; chebi:smiles "CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NC4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14367" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103021" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide" . obo:CHEBI_103022 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46940 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "VINMFOKKSKWMTO-ZSYWTGECSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-14368" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103022" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_103023 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H19N3O3" ; chebi:inchi "InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-14(17)21-19(24)22-15(11-20)18(16(22)12-23)13-7-3-2-4-8-13/h2-10,15-16,18,23H,12H2,1H3,(H,21,24)/t15-,16-,18+/m1/s1" ; chebi:inchikey "MOIIHOSYSQGYMW-NUJGCVRESA-N" ; chebi:mass "337.373" ; chebi:monoisotopicmass "337.14264" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14369" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103023" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_103024 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H28N2O7S" ; chebi:inchi "InChI=1S/C23H28N2O7S/c1-30-10-9-24-22(27)13-16-12-19-18-11-15(25-33(28,29)17-5-3-2-4-6-17)7-8-20(18)32-23(19)21(14-26)31-16/h2-8,11,16,19,21,23,25-26H,9-10,12-14H2,1H3,(H,24,27)/t16-,19+,21+,23-/m0/s1" ; chebi:inchikey "GQLDDSCVBIFPRR-DLBBVRJLSA-N" ; chebi:mass "476.545" ; chebi:monoisotopicmass "476.16172" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14370" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103024" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103025 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H34N2O5S" ; chebi:inchi "InChI=1S/C29H34N2O5S/c1-6-36-28(33)24-17-22-18-31(37(34)29(2,3)4)25(13-14-32)26(22)27(30-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)35-5/h7-12,15-17,25,32H,6,13-14,18H2,1-5H3/t25-,37?/m1/s1" ; chebi:inchikey "DOYGEULPHZGEAI-JWPKJQAESA-N" ; chebi:mass "522.658" ; chebi:monoisotopicmass "522.21884" ; chebi:smiles "CCOC(=O)C1=NC(=C2[C@H](N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14371" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103025" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester" . obo:CHEBI_103026 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N3O5" ; chebi:inchi "InChI=1S/C23H35N3O5/c1-7-21(27)24-17-9-10-19-18(11-17)23(29)25(5)13-20(30-6)15(3)12-26(22(28)8-2)16(4)14-31-19/h9-11,15-16,20H,7-8,12-14H2,1-6H3,(H,24,27)/t15-,16+,20+/m1/s1" ; chebi:inchikey "ILJGMXMVVDGLNM-GUXCAODWSA-N" ; chebi:mass "433.542" ; chebi:monoisotopicmass "433.25767" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)CC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14372" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103026" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_103027 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H32Cl2N2O4S" ; chebi:inchi "InChI=1S/C23H32Cl2N2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)25)23(31-4)15-26(3)32(29,30)21-11-9-20(24)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18+,23-/m1/s1" ; chebi:inchikey "JYNGQINEBKOLSY-IEGUWTFLSA-N" ; chebi:mass "503.484" ; chebi:monoisotopicmass "502.14598" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14373" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103027" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_103028 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H21F4N3O3" ; chebi:inchi "InChI=1S/C21H21F4N3O3/c1-27-17-13(14(9-29)18(27)19(30)26-10-21(23,24)25)8-28-16(17)7-6-12(20(28)31)11-4-2-3-5-15(11)22/h2-7,13-14,17-18,29H,8-10H2,1H3,(H,26,30)/t13-,14-,17+,18-/m0/s1" ; chebi:inchikey "IFOYIUHYIPKUPM-ZZCKCESHSA-N" ; chebi:mass "439.404" ; chebi:monoisotopicmass "439.15190" ; chebi:smiles "CN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14374" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103028" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103029 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22-,27+,28+/m1/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-BIQRORRISA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14375" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103029" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14375" . obo:CHEBI_10303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; chebi:charge "0" ; chebi:formula "C10H13NO3" ; chebi:inchi "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-3-2-4-8(12)5-7/h2-5,12H,6,11H2,1H3,(H,13,14)" ; chebi:inchikey "CAHPJJJZLQXPKS-UHFFFAOYSA-N" ; chebi:mass "195.216" ; chebi:monoisotopicmass "195.08954" ; chebi:smiles "CC(N)(Cc1cccc(O)c1)C(O)=O" ; oboInOwl:hasDbXref "CAS:305-96-4" ; oboInOwl:hasDbXref "KEGG:C11820" ; oboInOwl:hasExactSynonym "alpha-Methyl-m-tyrosine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Methyl-m-tyrosine" . _:b1832 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10303 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:305-96-4" ; rdfs:label "KEGG COMPOUND" . _:b1833 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10303 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Methyl-m-tyrosine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103030 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31FN2O5S" ; chebi:inchi "InChI=1S/C23H31FN2O5S/c1-17(14-26(18(2)16-27)32(29,30)19-10-6-5-7-11-19)22(31-4)15-25(3)23(28)20-12-8-9-13-21(20)24/h5-13,17-18,22,27H,14-16H2,1-4H3/t17-,18+,22-/m1/s1" ; chebi:inchikey "CZAUCXDPQANXEN-KGVIQGDOSA-N" ; chebi:mass "466.568" ; chebi:monoisotopicmass "466.19377" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=CC=CC=C2F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14376" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103030" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide" . obo:CHEBI_103031 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36F3N5O5" ; chebi:inchi "InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16+,22+/m0/s1" ; chebi:inchikey "PCJFVZCPKBPEAR-WJONJSRFSA-N" ; chebi:mass "555.591" ; chebi:monoisotopicmass "555.26685" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14377" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103031" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103032 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O6S" ; chebi:inchi "InChI=1S/C28H29FN2O6S/c1-17(18-5-3-2-4-6-18)30-27(33)15-21-14-24-23-13-20(9-12-25(23)37-28(24)26(16-32)36-21)31-38(34,35)22-10-7-19(29)8-11-22/h2-13,17,21,24,26,28,31-32H,14-16H2,1H3,(H,30,33)/t17-,21-,24+,26-,28-/m0/s1" ; chebi:inchikey "SUQCIPRCFCPKOO-WINGKJCMSA-N" ; chebi:mass "540.605" ; chebi:monoisotopicmass "540.17304" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-14378" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103032" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103033 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H30N4O6" ; chebi:inchi "InChI=1S/C28H30N4O6/c1-36-20-8-5-17(6-9-20)31-28(35)32-18-7-10-24-22(12-18)23-13-21(37-25(16-33)27(23)38-24)14-26(34)30-15-19-4-2-3-11-29-19/h2-12,21,23,25,27,33H,13-16H2,1H3,(H,30,34)(H2,31,32,35)/t21-,23+,25-,27-/m1/s1" ; chebi:inchikey "FWDZHOQSJMEDFJ-WWUYVNTOSA-N" ; chebi:mass "518.562" ; chebi:monoisotopicmass "518.21653" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-14379" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103033" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103034 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H19FN2O3S" ; chebi:inchi "InChI=1S/C21H19FN2O3S/c1-2-28(26,27)24-19(13-23)21(20(24)14-25)17-11-8-15(9-12-17)7-10-16-5-3-4-6-18(16)22/h3-6,8-9,11-12,19-21,25H,2,14H2,1H3/t19-,20+,21-/m1/s1" ; chebi:inchikey "UCQARJGLVBPITC-QHAWAJNXSA-N" ; chebi:mass "398.452" ; chebi:monoisotopicmass "398.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14380" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103034" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103035 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C24H23F3N2O6" ; chebi:inchi "InChI=1S/C24H23F3N2O6/c1-29-18-7-6-16(11-21(30)31)35-20(18)12-34-19-8-5-15(10-17(19)23(29)33)28-22(32)13-3-2-4-14(9-13)24(25,26)27/h2-5,8-10,16,18,20H,6-7,11-12H2,1H3,(H,28,32)(H,30,31)/t16-,18+,20+/m1/s1" ; chebi:inchikey "MPULVBUDJGIXBK-KPFFTGBYSA-N" ; chebi:mass "492.445" ; chebi:monoisotopicmass "492.15082" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14381" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103035" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_103036 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C25H25ClF3N3O5" ; chebi:inchi "InChI=1S/C25H25ClF3N3O5/c1-32-19-8-7-15(11-22(33)30-13-25(27,28)29)37-21(19)12-36-20-9-6-14(10-17(20)24(32)35)31-23(34)16-4-2-3-5-18(16)26/h2-6,9-10,15,19,21H,7-8,11-13H2,1H3,(H,30,33)(H,31,34)/t15-,19-,21+/m1/s1" ; chebi:inchikey "KEGRQPVLAXHQPZ-VMRPVKRXSA-N" ; chebi:mass "539.932" ; chebi:monoisotopicmass "539.14348" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14382" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103036" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_103037 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H30N2O5S" ; chebi:inchi "InChI=1S/C24H30N2O5S/c1-17-6-9-21(10-7-17)32(29,30)25-22-11-8-20(31-23(22)16-27)14-24(28)26-13-12-18-4-2-3-5-19(18)15-26/h2-7,9-10,20,22-23,25,27H,8,11-16H2,1H3/t20-,22-,23-/m1/s1" ; chebi:inchikey "YSHLOQAWMNLOEI-YMPZKCBVSA-N" ; chebi:mass "458.572" ; chebi:monoisotopicmass "458.18754" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-14383" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103037" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide" . obo:CHEBI_103038 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H39N5O4" ; chebi:inchi "InChI=1S/C27H39N5O4/c1-18(2)29-27(34)30-21-10-11-23-24(13-21)36-17-20(4)32(15-22-9-7-8-12-28-22)14-19(3)25(35-6)16-31(5)26(23)33/h7-13,18-20,25H,14-17H2,1-6H3,(H2,29,30,34)/t19-,20+,25+/m1/s1" ; chebi:inchikey "YDXYYDXTJISMJT-RNHFSVANSA-N" ; chebi:mass "497.631" ; chebi:monoisotopicmass "497.30020" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-14384" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103038" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103039 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19-,21+/m1/s1" ; chebi:inchikey "XCDRDXJNPKYISK-VMRPVKRXSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14385" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103039" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_10304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33567 ; chebi:charge "0" ; chebi:formula "C9H13NO3" ; chebi:inchi "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1" ; chebi:inchikey "GEFQWZLICWMTKF-CDUCUWFYSA-N" ; chebi:mass "183.205" ; chebi:monoisotopicmass "183.08954" ; chebi:smiles "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1" ; oboInOwl:hasDbXref "CAS:829-74-3" ; oboInOwl:hasDbXref "Drug_Central:4482" ; oboInOwl:hasDbXref "KEGG:C11768" ; oboInOwl:hasDbXref "KEGG:D02388" ; oboInOwl:hasDbXref "LINCS:LSM-6525" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-alpha-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol" ; oboInOwl:hasRelatedSynonym "Levonordefrin" ; oboInOwl:hasRelatedSynonym "alpha-Methylnoradrenaline" ; oboInOwl:hasRelatedSynonym "levoepinefrina" ; oboInOwl:id "CHEBI:10304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(-)-alpha-Methylnoradrenaline" . _:b1834 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:829-74-3" ; rdfs:label "KEGG COMPOUND" . _:b1835 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:4482" ; rdfs:label "DrugCentral" . _:b1836 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-alpha-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol" ; oboInOwl:hasDbXref "DrugCentral" . _:b1837 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Levonordefrin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1838 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Methylnoradrenaline" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1839 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10304 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "levoepinefrina" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_103040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17-/m0/s1" ; chebi:inchikey "BPKNALSRVQDTLI-ULQDDVLXSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14386" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103040" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_103041 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C19H19FN2O3S" ; chebi:inchi "InChI=1S/C19H19FN2O3S/c1-2-26(24,25)22-17(11-21)19(18(22)12-23)14-8-6-13(7-9-14)15-4-3-5-16(20)10-15/h3-10,17-19,23H,2,12H2,1H3/t17-,18+,19+/m1/s1" ; chebi:inchikey "FWARPLPHHGVTHJ-QYZOEREBSA-N" ; chebi:mass "374.431" ; chebi:monoisotopicmass "374.11004" ; chebi:smiles "CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14387" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103041" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103042 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H34ClN3O6S" ; chebi:inchi "InChI=1S/C31H34ClN3O6S/c1-19(2)20-7-6-8-21(15-20)33-30(36)17-23-12-13-26-28(41-23)18-40-27-14-11-22(16-24(27)31(37)35(26)3)34-42(38,39)29-10-5-4-9-25(29)32/h4-11,14-16,19,23,26,28,34H,12-13,17-18H2,1-3H3,(H,33,36)/t23-,26+,28-/m1/s1" ; chebi:inchikey "ZFXZNAWVDNVUMV-RXWNPYQGSA-N" ; chebi:mass "612.138" ; chebi:monoisotopicmass "611.18568" ; chebi:smiles "CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Cl)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14388" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103042" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(3-propan-2-ylphenyl)acetamide" . obo:CHEBI_103043 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-3-12-28-27(35)31-22-14-30-21(11-10-19(26(30)34)16-6-4-9-18(13-16)36-2)24(31)23(20(22)15-32)25(33)29-17-7-5-8-17/h4,6,9-11,13,17,20,22-24,32H,3,5,7-8,12,14-15H2,1-2H3,(H,28,35)(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "BCMXGMGGSHUCMP-AZOUXBGGSA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCCNC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14389" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103043" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14389" . obo:CHEBI_103044 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18-/m1/s1" ; chebi:inchikey "BAJOMULNWMTCGT-KBAYOESNSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14390" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103044" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_103045 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25+,27+,28-/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-DXTQFLITSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14391" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103045" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103046 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33N3O6S" ; chebi:inchi "InChI=1S/C23H33N3O6S/c1-26-19-10-9-17(13-22(27)24-15-6-4-3-5-7-15)32-21(19)14-31-20-11-8-16(25-33(2,29)30)12-18(20)23(26)28/h8,11-12,15,17,19,21,25H,3-7,9-10,13-14H2,1-2H3,(H,24,27)/t17-,19+,21-/m0/s1" ; chebi:inchikey "VOOHCFNIWPJMMM-DSKINZAPSA-N" ; chebi:mass "479.592" ; chebi:monoisotopicmass "479.20901" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14392" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103046" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide" . obo:CHEBI_103047 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H32N2O5" ; chebi:inchi "InChI=1S/C24H32N2O5/c27-13-21-23-19(11-17(30-21)12-22(28)25-15-6-1-2-7-15)18-10-16(8-9-20(18)31-23)26-24(29)14-4-3-5-14/h8-10,14-15,17,19,21,23,27H,1-7,11-13H2,(H,25,28)(H,26,29)/t17-,19-,21-,23+/m0/s1" ; chebi:inchikey "MOMUNQNAFOIKEQ-RAKJYXHLSA-N" ; chebi:mass "428.522" ; chebi:monoisotopicmass "428.23112" ; chebi:smiles "C1CCC(C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14393" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103047" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aS,9aR)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_103048 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16+,18-,21-/m0/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-WTFQOOOSSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14394" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103048" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103049 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H21F4N3O3" ; chebi:inchi "InChI=1S/C21H21F4N3O3/c22-13-4-1-3-12(7-13)8-28-18-14(9-27-16(18)5-2-6-17(27)30)15(10-29)19(28)20(31)26-11-21(23,24)25/h1-7,14-15,18-19,29H,8-11H2,(H,26,31)/t14-,15-,18+,19-/m0/s1" ; chebi:inchikey "LKWCVEYJHHUNKM-SAKMYQHLSA-N" ; chebi:mass "439.404" ; chebi:monoisotopicmass "439.15190" ; chebi:smiles "C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)CC4=CC(=CC=C4)F)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14395" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103049" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_10305 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17850 ; owl:deprecated true . obo:CHEBI_103050 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H34N2O6" ; chebi:inchi "InChI=1S/C28H34N2O6/c1-17(18-5-3-2-4-6-18)29-26(32)15-21-14-23-22-13-20(30-28(33)19-9-11-34-12-10-19)7-8-24(22)36-27(23)25(16-31)35-21/h2-8,13,17,19,21,23,25,27,31H,9-12,14-16H2,1H3,(H,29,32)(H,30,33)/t17-,21-,23+,25-,27-/m0/s1" ; chebi:inchikey "ISBRQPNQXSURAN-DWEXDDMVSA-N" ; chebi:mass "494.580" ; chebi:monoisotopicmass "494.24169" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14396" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103050" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103051 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H41N3O5" ; chebi:inchi "InChI=1S/C28H41N3O5/c1-18-15-31(26(32)13-20-9-10-20)19(2)17-36-24-14-22(29-27(33)21-7-5-6-8-21)11-12-23(24)28(34)30(3)16-25(18)35-4/h11-12,14,18-21,25H,5-10,13,15-17H2,1-4H3,(H,29,33)/t18-,19+,25-/m1/s1" ; chebi:inchikey "MFGGAADVNSTJDM-HHJKRLRDSA-N" ; chebi:mass "499.643" ; chebi:monoisotopicmass "499.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14397" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103051" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide" . obo:CHEBI_103052 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H33ClF3N3O3" ; chebi:inchi "InChI=1S/C25H33ClF3N3O3/c1-17(13-32(18(2)16-33)14-19-7-5-6-8-22(19)26)23(35-4)15-31(3)24(34)30-21-11-9-20(10-12-21)25(27,28)29/h5-12,17-18,23,33H,13-16H2,1-4H3,(H,30,34)/t17-,18+,23-/m1/s1" ; chebi:inchikey "NINYSMYJRLQSCV-IEGUWTFLSA-N" ; chebi:mass "515.997" ; chebi:monoisotopicmass "515.21625" ; chebi:smiles "C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)C(F)(F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14398" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103052" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103053 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C24H21F2N5O4" ; chebi:inchi "InChI=1S/C24H21F2N5O4/c25-14-6-13(7-15(26)8-14)9-29-23(34)21-16(12-32)19-11-30-18(2-1-3-20(30)33)22(21)31(19)24(35)17-10-27-4-5-28-17/h1-8,10,16,19,21-22,32H,9,11-12H2,(H,29,34)/t16-,19-,21+,22+/m1/s1" ; chebi:inchikey "KPHBLEYIQPKXAE-MWRLGJARSA-N" ; chebi:mass "481.452" ; chebi:monoisotopicmass "481.15616" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)C3=NC=CN=C3)C4=CC=CC(=O)N41)C(=O)NCC5=CC(=CC(=C5)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14399" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103053" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14399" . obo:CHEBI_103054 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H35N3O3" ; chebi:inchi "InChI=1S/C26H35N3O3/c30-16-21-20-15-28-22(11-10-19(25(28)31)18-6-2-3-7-18)23(20)29(14-17-8-9-17)24(21)26(32)27-12-4-1-5-13-27/h6,10-11,17,20-21,23-24,30H,1-5,7-9,12-16H2/t20-,21-,23+,24-/m0/s1" ; chebi:inchikey "JLGYBICAMNQLPS-ZQRMPTRQSA-N" ; chebi:mass "437.575" ; chebi:monoisotopicmass "437.26784" ; chebi:smiles "C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@@H]3N2CC6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14400" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103054" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_103055 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H37N3O4" ; chebi:inchi "InChI=1S/C30H37N3O4/c1-19-15-33(20(2)17-34)30(36)28-27(24-11-7-8-12-25(24)32(28)4)23-10-6-5-9-22(23)18-37-26(19)16-31(3)29(35)21-13-14-21/h5-12,19-21,26,34H,13-18H2,1-4H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "YAQCSVWFCUIVLJ-CUVVAGTFSA-N" ; chebi:mass "503.634" ; chebi:monoisotopicmass "503.27841" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14401" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103055" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14401" . obo:CHEBI_103056 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "MNYFKSZVIZZWBR-MKXGPGLRSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-14402" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103056" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone" . obo:CHEBI_103057 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H21N3O4S" ; chebi:inchi "InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10+,11-,12+/m1/s1" ; chebi:inchikey "LPUMVFGYOYFXDR-KXNHARMFSA-N" ; chebi:mass "327.401" ; chebi:monoisotopicmass "327.12528" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-14403" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103057" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_103058 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H31N3O5" ; chebi:inchi "InChI=1S/C26H31N3O5/c30-15-23-25-21(12-19(33-23)13-24(31)28-17-6-2-1-3-7-17)20-11-18(8-9-22(20)34-25)29-26(32)16-5-4-10-27-14-16/h4-5,8-11,14,17,19,21,23,25,30H,1-3,6-7,12-13,15H2,(H,28,31)(H,29,32)/t19-,21-,23+,25+/m0/s1" ; chebi:inchikey "CCIDSNZUNACLPU-FEGXGRLVSA-N" ; chebi:mass "465.542" ; chebi:monoisotopicmass "465.22637" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14404" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103058" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_103059 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H35N5O6" ; chebi:inchi "InChI=1S/C27H35N5O6/c1-16-21(14-31(2)30-16)29-25(33)13-19-5-6-22-24(38-19)15-37-23-7-4-18(12-20(23)27(35)32(22)3)28-26(34)17-8-10-36-11-9-17/h4,7,12,14,17,19,22,24H,5-6,8-11,13,15H2,1-3H3,(H,28,34)(H,29,33)/t19-,22-,24+/m1/s1" ; chebi:inchikey "KFDLRFOLOVMTJG-CKUXNOBLSA-N" ; chebi:mass "525.598" ; chebi:monoisotopicmass "525.25873" ; chebi:smiles "CC1=NN(C=C1NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14405" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103059" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_10306 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16901 ; owl:deprecated true . obo:CHEBI_103060 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1840 rdf:type owl:Restriction . obo:CHEBI_103060 rdfs:subClassOf _:b1840 . _:b1840 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103060 chebi:charge "0" ; chebi:formula "C21H23N3O3" ; chebi:inchi "InChI=1S/C21H23N3O3/c25-12-15-16-11-24-17(6-3-7-18(24)26)20(22-16)19(15)21(27)23-9-8-13-4-1-2-5-14(13)10-23/h1-7,15-16,19-20,22,25H,8-12H2/t15-,16-,19+,20+/m1/s1" ; chebi:inchikey "WCVQZBWBNHVCOB-YKCBXCCJSA-N" ; chebi:mass "365.426" ; chebi:monoisotopicmass "365.17394" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=O)C=CC=C5[C@@H]3N4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14406" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103060" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14406" . obo:CHEBI_103061 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)27-14-8-7-13-26(27)25-12-6-4-11-24(25)20-38-28(21)18-32(3)39(36,37)29-15-9-5-10-23(29)16-31/h4-15,21-22,28,34H,17-20H2,1-3H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "CWLJLYLZQZUHCH-DQCZWYHMSA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#N)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14407" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103061" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14407" . obo:CHEBI_103062 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H33ClN2O6S2" ; chebi:inchi "InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "FYUSSFRUYFLLAK-DNVFCKCGSA-N" ; chebi:mass "533.104" ; chebi:monoisotopicmass "532.14686" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14408" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103062" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide" . obo:CHEBI_103063 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H33N3O6S" ; chebi:inchi "InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28+/m0/s1" ; chebi:inchikey "IPBHQWGLWRAHKP-GYGTVUFYSA-N" ; chebi:mass "563.667" ; chebi:monoisotopicmass "563.20901" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14409" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103063" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide" . obo:CHEBI_103064 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H30N4O5" ; chebi:inchi "InChI=1S/C22H30N4O5/c1-13-10-23-14(2)12-30-19-7-6-16(24-21(27)18-8-15(3)31-25-18)9-17(19)22(28)26(4)11-20(13)29-5/h6-9,13-14,20,23H,10-12H2,1-5H3,(H,24,27)/t13-,14-,20-/m1/s1" ; chebi:inchikey "JSRBXIHVEPNVJQ-ARGWCVDVSA-N" ; chebi:mass "430.498" ; chebi:monoisotopicmass "430.22162" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14410" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103064" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103065 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H36N4O5" ; chebi:inchi "InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23+,25+,28-/m1/s1" ; chebi:inchikey "FBZDSUDTYUQYGJ-IBFWWDTPSA-N" ; chebi:mass "508.610" ; chebi:monoisotopicmass "508.26857" ; chebi:smiles "C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14411" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103065" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_103066 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_59111 ; owl:deprecated true . obo:CHEBI_103067 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; rdfs:subClassOf obo:CHEBI_24373 ; rdfs:subClassOf obo:CHEBI_29347 ; rdfs:subClassOf obo:CHEBI_48208 . _:b1841 rdf:type owl:Restriction . obo:CHEBI_103067 rdfs:subClassOf _:b1841 . _:b1841 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1842 rdf:type owl:Restriction . obo:CHEBI_103067 rdfs:subClassOf _:b1842 . _:b1842 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17713 . obo:CHEBI_103067 obo:IAO_0000115 "A nucleoside monophosphate analogue that is dAMP in which one of the exocyclic amino hydrogens is replaced by a carbamoylmethyl group." ; chebi:charge "0" ; chebi:formula "C12H17N6O7P" ; chebi:inchi "InChI=1S/C12H17N6O7P/c13-8(20)2-14-11-10-12(16-4-15-11)18(5-17-10)9-1-6(19)7(25-9)3-24-26(21,22)23/h4-7,9,19H,1-3H2,(H2,13,20)(H,14,15,16)(H2,21,22,23)/t6-,7+,9+/m0/s1" ; chebi:inchikey "QIZONDXKUQRKHI-LKEWCRSYSA-N" ; chebi:mass "388.274" ; chebi:monoisotopicmass "388.08963" ; chebi:smiles "N(C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3)CC(=O)N" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-phosphate" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyl-2'-deoxyadenosine monophosphate" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyldeoxyadenosine 5'-dAMP" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyldeoxyadenosine dAMP" ; oboInOwl:hasRelatedSynonym "N(6)-carbamoylmethyldeoxyadenosine monophosphate" ; oboInOwl:id "CHEBI:103067" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate" . _:b1843 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1844 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-phosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1845 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyl-2'-deoxyadenosine monophosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1846 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyldeoxyadenosine 5'-dAMP" ; oboInOwl:hasDbXref "ChEBI" . _:b1847 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyldeoxyadenosine dAMP" ; oboInOwl:hasDbXref "ChEBI" . _:b1848 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103067 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N(6)-carbamoylmethyldeoxyadenosine monophosphate" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103068 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H26N2O7S" ; chebi:inchi "InChI=1S/C23H26N2O7S/c1-14-5-3-4-6-21(14)33(29,30)24-15-7-10-19-17(11-15)23(28)25(2)18-9-8-16(12-22(26)27)32-20(18)13-31-19/h3-7,10-11,16,18,20,24H,8-9,12-13H2,1-2H3,(H,26,27)/t16-,18-,20+/m1/s1" ; chebi:inchikey "RXPZKEATMSRBBD-POAQFYNOSA-N" ; chebi:mass "474.529" ; chebi:monoisotopicmass "474.14607" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14413" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103068" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid" . obo:CHEBI_103069 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C29H32ClN5O6" ; chebi:inchi "InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23+,25-/m1/s1" ; chebi:inchikey "VDMGESCZGFUZFC-NMVJMZGASA-N" ; chebi:mass "582.048" ; chebi:monoisotopicmass "581.20411" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14414" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103069" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_10307 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16565 ; owl:deprecated true . obo:CHEBI_103070 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H26F2N2O4" ; chebi:inchi "InChI=1S/C23H26F2N2O4/c1-27(2)15-4-6-20-17(8-15)18-9-16(30-21(12-28)23(18)31-20)10-22(29)26-11-13-7-14(24)3-5-19(13)25/h3-8,16,18,21,23,28H,9-12H2,1-2H3,(H,26,29)/t16-,18-,21+,23+/m1/s1" ; chebi:inchikey "PXUWSZVSXCWDJI-XKAWVMRWSA-N" ; chebi:mass "432.461" ; chebi:monoisotopicmass "432.18606" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14415" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103070" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide" . obo:CHEBI_103071 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H27N3O4" ; chebi:inchi "InChI=1S/C22H27N3O4/c1-15(16-6-3-2-4-7-16)24-21(27)12-18-9-10-19(20(14-26)29-18)25-22(28)17-8-5-11-23-13-17/h2-8,11,13,15,18-20,26H,9-10,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18+,19+,20-/m1/s1" ; chebi:inchikey "YSDDRAAKFDNITG-XFWGSAIBSA-N" ; chebi:mass "397.468" ; chebi:monoisotopicmass "397.20016" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14416" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103071" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide" . obo:CHEBI_103072 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C29H35N3O3" ; chebi:inchi "InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-24(25)20-35-28(21)18-31(3)17-23-12-14-30-15-13-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m1/s1" ; chebi:inchikey "KEOFNYFHDQHRAV-DQCZWYHMSA-N" ; chebi:mass "473.608" ; chebi:monoisotopicmass "473.26784" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14417" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103072" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14417" . obo:CHEBI_103073 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H27N3O7" ; chebi:inchi "InChI=1S/C28H27N3O7/c32-14-25-27-21(11-19(37-25)12-26(33)30-13-18-3-1-2-8-29-18)20-10-17(5-7-22(20)38-27)31-28(34)16-4-6-23-24(9-16)36-15-35-23/h1-10,19,21,25,27,32H,11-15H2,(H,30,33)(H,31,34)/t19-,21+,25+,27-/m0/s1" ; chebi:inchikey "FEEKZGTVSGSFLP-UTMJBXDJSA-N" ; chebi:mass "517.531" ; chebi:monoisotopicmass "517.18490" ; chebi:smiles "C1[C@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6" ; oboInOwl:hasDbXref "LINCS:LSM-14418" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103073" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103074 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C29H35N3O4S" ; chebi:inchi "InChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)13-14-33)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-6/h7-12,15-17,25,33H,13-14,18H2,1-6H3/t25-,37-/m1/s1" ; chebi:inchikey "FLZDWOWASDTEHK-TWEZTRHFSA-N" ; chebi:mass "521.673" ; chebi:monoisotopicmass "521.23483" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14419" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103074" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103075 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H32N2O5S2" ; chebi:inchi "InChI=1S/C27H32N2O5S2/c1-19-15-29(20(2)17-30)27(31)24-12-7-6-11-23(24)22-10-5-4-9-21(22)18-34-25(19)16-28(3)36(32,33)26-13-8-14-35-26/h4-14,19-20,25,30H,15-18H2,1-3H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "YEGLVGBFCXLPBD-RLSLOFABSA-N" ; chebi:mass "528.687" ; chebi:monoisotopicmass "528.17526" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14420" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103075" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14420" . obo:CHEBI_103076 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C22H29N5O5S" ; chebi:inchi "InChI=1S/C22H29N5O5S/c1-25-14-21(23-16-25)33(30,31)24-19-8-7-18(32-20(19)15-28)13-22(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,14,16,18-20,24,28H,9-13,15H2,1H3/t18-,19-,20+/m1/s1" ; chebi:inchikey "ADNYLXRIKBBTKJ-AQNXPRMDSA-N" ; chebi:mass "475.563" ; chebi:monoisotopicmass "475.18894" ; chebi:smiles "CN1C=C(N=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)N3CCN(CC3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14421" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103076" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103077 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C31H38N4O4S" ; chebi:inchi "InChI=1S/C31H38N4O4S/c1-31(2,3)40(39)35-19-24-18-25(30(38)34(6)7)32-28(27(24)26(35)15-16-36)23-10-8-9-22(17-23)20-11-13-21(14-12-20)29(37)33(4)5/h8-14,17-18,26,36H,15-16,19H2,1-7H3/t26-,40-/m0/s1" ; chebi:inchikey "WMNVIWBOXVWRSQ-YKPJRVAWSA-N" ; chebi:mass "562.725" ; chebi:monoisotopicmass "562.26138" ; chebi:smiles "CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14422" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103077" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103078 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H34N4O6" ; chebi:inchi "InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22-,24+/m1/s1" ; chebi:inchikey "YKBSBMDVZJDWJN-ADGBJGEGSA-N" ; chebi:mass "498.572" ; chebi:monoisotopicmass "498.24783" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14423" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103078" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103079 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H33N5O5" ; chebi:inchi "InChI=1S/C26H33N5O5/c32-20-16-31(26(34)22-15-27-8-9-28-22)23-7-6-21(36-24(23)18-35-17-20)14-25(33)30-12-10-29(11-13-30)19-4-2-1-3-5-19/h1-5,8-9,15,20-21,23-24,32H,6-7,10-14,16-18H2/t20-,21+,23-,24+/m0/s1" ; chebi:inchikey "LCHNJAZNAXXEPD-SGKWCMOWSA-N" ; chebi:mass "495.572" ; chebi:monoisotopicmass "495.24817" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14424" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103079" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone" . obo:CHEBI_103080 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c1-3-5-25(32)30-19-8-11-23-21(13-19)27(34)31(2)22-10-9-20(36-24(22)16-35-23)14-26(33)29-15-17-6-4-7-18(28)12-17/h4,6-8,11-13,20,22,24H,3,5,9-10,14-16H2,1-2H3,(H,29,33)(H,30,32)/t20-,22+,24+/m1/s1" ; chebi:inchikey "BYJFOJVMGKORHN-SFLYRZDNSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC(=CC=C4)F)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14425" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103080" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]butanamide" . obo:CHEBI_103081 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19+,21+,23-/m0/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-GBPFJNKXSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14426" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103081" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103082 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H31N3O6" ; chebi:inchi "InChI=1S/C26H31N3O6/c1-15-9-16(2)11-18(10-15)28-26(32)27-17-5-8-22-20(12-17)25(31)29(3)21-7-6-19(13-24(30)33-4)35-23(21)14-34-22/h5,8-12,19,21,23H,6-7,13-14H2,1-4H3,(H2,27,28,32)/t19-,21-,23+/m1/s1" ; chebi:inchikey "ANPNCKARMDTJMY-LSWJPFSZSA-N" ; chebi:mass "481.542" ; chebi:monoisotopicmass "481.22129" ; chebi:smiles "CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14427" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103082" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[(3,5-dimethylanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_103083 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H34N2O6" ; chebi:inchi "InChI=1S/C25H34N2O6/c28-15-22-24-20(13-18(32-22)14-23(29)27-8-2-1-3-9-27)19-12-17(4-5-21(19)33-24)26-25(30)16-6-10-31-11-7-16/h4-5,12,16,18,20,22,24,28H,1-3,6-11,13-15H2,(H,26,30)/t18-,20+,22-,24-/m1/s1" ; chebi:inchikey "SADUCKDCBXEUGG-USHXRURQSA-N" ; chebi:mass "458.548" ; chebi:monoisotopicmass "458.24169" ; chebi:smiles "C1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14428" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103083" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103084 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-17-14-26-18(2)16-32-22-11-10-20(27-24(29)12-19-8-6-5-7-9-19)13-21(22)25(30)28(3)15-23(17)31-4/h5-11,13,17-18,23,26H,12,14-16H2,1-4H3,(H,27,29)/t17-,18+,23-/m1/s1" ; chebi:inchikey "RIFMDYVXBSMSIP-IEGUWTFLSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14429" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103084" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide" . obo:CHEBI_103085 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m1/s1" ; chebi:inchikey "KNLROJRONDBMAV-HYFFOGBASA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14430" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103085" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_103086 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29+/m1/s1" ; chebi:inchikey "INXMEFHWZGRULI-AFKLWXAFSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14431" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103086" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14431" . obo:CHEBI_103087 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C24H31FN2O7S" ; chebi:inchi "InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17+,23-/m0/s1" ; chebi:inchikey "QPCRGZWITIZHEP-MFEFFIJZSA-N" ; chebi:mass "510.578" ; chebi:monoisotopicmass "510.18360" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14432" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103087" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103088 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H36FN3O5" ; chebi:inchi "InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26+/m1/s1" ; chebi:inchikey "QTFKJTMJQVNOKY-MVYHEMRASA-N" ; chebi:mass "525.613" ; chebi:monoisotopicmass "525.26390" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14433" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103088" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide" . obo:CHEBI_103089 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H33N3O4S2" ; chebi:inchi "InChI=1S/C21H33N3O4S2/c1-16-6-8-19(9-7-16)30(26,27)24(18(3)15-25)12-17(2)20(28-5)13-23(4)14-21-22-10-11-29-21/h6-11,17-18,20,25H,12-15H2,1-5H3/t17-,18+,20+/m1/s1" ; chebi:inchikey "APKXKRHWPGHKNH-HBFSDRIKSA-N" ; chebi:mass "455.637" ; chebi:monoisotopicmass "455.19125" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@H](CN(C)CC2=NC=CS2)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14434" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103089" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]-4-methylbenzenesulfonamide" . obo:CHEBI_10309 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36528 ; owl:deprecated true . obo:CHEBI_103090 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7+,8-/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-GJMOJQLCSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-14435" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103090" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6S)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_103091 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S" ; chebi:inchi "InChI=1S/C27H36N2O6S/c1-34-22-7-10-24(11-8-22)36(32,33)28-25-12-9-23(35-26(25)19-30)18-27(31)29-15-13-21(14-16-29)17-20-5-3-2-4-6-20/h2-8,10-11,21,23,25-26,28,30H,9,12-19H2,1H3/t23-,25+,26+/m1/s1" ; chebi:inchikey "JXWMWOXWMMUZLT-AFESJLNVSA-N" ; chebi:mass "516.652" ; chebi:monoisotopicmass "516.22941" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14436" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103091" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103092 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H37N5O4" ; chebi:inchi "InChI=1S/C30H37N5O4/c1-21-18-35(15-12-23-8-6-5-7-9-23)22(2)20-39-27-16-24(33-29(36)26-17-31-13-14-32-26)10-11-25(27)30(37)34(3)19-28(21)38-4/h5-11,13-14,16-17,21-22,28H,12,15,18-20H2,1-4H3,(H,33,36)/t21-,22-,28-/m1/s1" ; chebi:inchikey "BQPYXUUVDOUQTE-DQCZWYHMSA-N" ; chebi:mass "531.647" ; chebi:monoisotopicmass "531.28455" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@H]1OC)C)C)CCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14437" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103092" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103093 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-23(2)20(26)10-14-9-16-15-8-13(22-19(25)7-12-3-4-12)5-6-17(15)28-21(16)18(11-24)27-14/h5-6,8,12,14,16,18,21,24H,3-4,7,9-11H2,1-2H3,(H,22,25)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "PPHZKQYZEIZDOF-GXLIZGDTSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14438" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103093" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103094 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H36N4O5" ; chebi:inchi "InChI=1S/C26H36N4O5/c1-16-12-30(13-19-6-7-19)17(2)15-34-23-9-8-20(27-25(31)22-10-18(3)35-28-22)11-21(23)26(32)29(4)14-24(16)33-5/h8-11,16-17,19,24H,6-7,12-15H2,1-5H3,(H,27,31)/t16-,17-,24+/m1/s1" ; chebi:inchikey "VFFXTZRIOLHXNX-OJLQRUNKSA-N" ; chebi:mass "484.589" ; chebi:monoisotopicmass "484.26857" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14439" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103094" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103095 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-QLVXXPONSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14440" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103095" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14440" . obo:CHEBI_103096 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O4" ; chebi:inchi "InChI=1S/C27H36N4O4/c1-18-14-31(15-20-9-11-28-12-10-20)19(2)17-35-24-13-22(29-26(32)21-5-6-21)7-8-23(24)27(33)30(3)16-25(18)34-4/h7-13,18-19,21,25H,5-6,14-17H2,1-4H3,(H,29,32)/t18-,19-,25-/m0/s1" ; chebi:inchikey "RHXUULWZVSTJED-MHPIHPPYSA-N" ; chebi:mass "480.600" ; chebi:monoisotopicmass "480.27366" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14441" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103096" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_103097 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H29N3O5" ; chebi:inchi "InChI=1S/C20H29N3O5/c1-27-15-7-5-14(6-8-15)22-20(26)23-17-10-9-16(28-18(17)12-24)11-19(25)21-13-3-2-4-13/h5-8,13,16-18,24H,2-4,9-12H2,1H3,(H,21,25)(H2,22,23,26)/t16-,17-,18+/m1/s1" ; chebi:inchikey "OPNJNCHASNUPJL-KURKYZTESA-N" ; chebi:mass "391.462" ; chebi:monoisotopicmass "391.21072" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14442" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103097" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-cyclobutyl-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_103098 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C26H28N4O3" ; chebi:inchi "InChI=1S/C26H28N4O3/c31-17-20-22-16-29-21(10-6-11-23(29)32)25(30(22)15-19-9-4-5-13-27-19)24(20)26(33)28-14-12-18-7-2-1-3-8-18/h1-11,13,20,22,24-25,31H,12,14-17H2,(H,28,33)/t20-,22-,24+,25+/m1/s1" ; chebi:inchikey "ZMVBPFYUTZNCSY-KAKDDGLXSA-N" ; chebi:mass "444.527" ; chebi:monoisotopicmass "444.21614" ; chebi:smiles "C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CC=CC=N3)C4=CC=CC(=O)N41)C(=O)NCCC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14443" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103098" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14443" . obo:CHEBI_103099 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H34ClN3O6S" ; chebi:inchi "InChI=1S/C22H34ClN3O6S/c1-25(2)11-3-10-24-22(28)12-18-6-9-20-21(32-18)15-31-14-17(27)13-26(20)33(29,30)19-7-4-16(23)5-8-19/h4-5,7-8,17-18,20-21,27H,3,6,9-15H2,1-2H3,(H,24,28)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "NJKGITFUOGWCFU-MMKMLUHNSA-N" ; chebi:mass "504.042" ; chebi:monoisotopicmass "503.18568" ; chebi:smiles "CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14444" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103099" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-1-(4-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide" . obo:CHEBI_1031 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16166 ; owl:deprecated true . obo:CHEBI_10310 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16361 ; owl:deprecated true . obo:CHEBI_103100 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C21H22FN3O2" ; chebi:inchi "InChI=1S/C21H22FN3O2/c1-13(2)24-21(27)25-18(11-23)20(19(25)12-26)16-5-3-14(4-6-16)15-7-9-17(22)10-8-15/h3-10,13,18-20,26H,12H2,1-2H3,(H,24,27)/t18-,19-,20-/m0/s1" ; chebi:inchikey "GQNJFXBZXQABNJ-UFYCRDLUSA-N" ; chebi:mass "367.417" ; chebi:monoisotopicmass "367.16961" ; chebi:smiles "CC(C)NC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14445" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103100" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4R)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_103101 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C24H25N3O2" ; chebi:inchi "InChI=1S/C24H25N3O2/c25-15-21-24(20-8-6-19(7-9-20)18-4-2-1-3-5-18)22(16-28)27(21)23(29)14-17-10-12-26-13-11-17/h4,6-13,21-22,24,28H,1-3,5,14,16H2/t21-,22+,24-/m0/s1" ; chebi:inchikey "GMLMGXOKFZUTJK-ZDXQCDESSA-N" ; chebi:mass "387.475" ; chebi:monoisotopicmass "387.19468" ; chebi:smiles "C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14446" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103101" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103102 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C27H36N2O5" ; chebi:inchi "InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20-,25-/m0/s1" ; chebi:inchikey "JTQSYHMCCHKQKK-RLSLOFABSA-N" ; chebi:mass "468.586" ; chebi:monoisotopicmass "468.26242" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14447" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103102" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14447" . obo:CHEBI_103103 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "0" ; chebi:formula "C29H30N4O4" ; chebi:inchi "InChI=1S/C29H30N4O4/c1-2-14-31-27(35)25-22(18-34)24-17-32-23(26(25)33(24)29(37)21-12-15-30-16-13-21)11-10-20(28(32)36)9-8-19-6-4-3-5-7-19/h3-13,15-16,22,24-26,34H,2,14,17-18H2,1H3,(H,31,35)/t22-,24-,25+,26+/m0/s1" ; chebi:inchikey "QXUUMNXHRNLNCE-ADXHGGABSA-N" ; chebi:mass "498.574" ; chebi:monoisotopicmass "498.22671" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1N2C(=O)C5=CC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14448" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103103" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14448" . obo:CHEBI_103104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m0/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-NZIYMESCSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-14449" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_103105 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25-,26+/m1/s1" ; chebi:inchikey "VMOCTUISBGPURH-POTDNYQPSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14450" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103105" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_103106 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N3O7" ; chebi:inchi "InChI=1S/C28H37N3O7/c1-18-14-31(26(32)17-35-4)19(2)16-38-24-13-21(29-27(33)20-7-10-22(36-5)11-8-20)9-12-23(24)28(34)30(3)15-25(18)37-6/h7-13,18-19,25H,14-17H2,1-6H3,(H,29,33)/t18-,19-,25+/m1/s1" ; chebi:inchikey "YQOYUVQVCGNRJC-RRQZXNHTSA-N" ; chebi:mass "527.610" ; chebi:monoisotopicmass "527.26315" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14451" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103106" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-methoxy-N-[(5R,6R,9R)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide" . obo:CHEBI_103107 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C31H40N4O7" ; chebi:inchi "InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,28+/m1/s1" ; chebi:inchikey "ADKYEMYUARXISC-INOCPDNRSA-N" ; chebi:mass "580.673" ; chebi:monoisotopicmass "580.28970" ; chebi:smiles "CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14452" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103107" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide" . obo:CHEBI_103108 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H38N4O6" ; chebi:inchi "InChI=1S/C34H38N4O6/c1-21-16-38(22(2)18-39)33(40)32-31(26-11-7-8-12-27(26)37(32)4)25-10-6-5-9-23(25)19-42-30(21)17-36(3)34(41)35-24-13-14-28-29(15-24)44-20-43-28/h5-15,21-22,30,39H,16-20H2,1-4H3,(H,35,41)/t21-,22-,30+/m1/s1" ; chebi:inchikey "KFLLAZWDLYDTFJ-WOGZVKCMSA-N" ; chebi:mass "598.690" ; chebi:monoisotopicmass "598.27913" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14453" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103108" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14453" . obo:CHEBI_103109 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C15H24F3NO5" ; chebi:inchi "InChI=1S/C15H24F3NO5/c1-22-14(21)6-11-2-3-12-13(24-11)9-23-8-10(20)7-19(12)5-4-15(16,17)18/h10-13,20H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1" ; chebi:inchikey "NGKDTDLAKVOKMV-RVMXOQNASA-N" ; chebi:mass "355.351" ; chebi:monoisotopicmass "355.16066" ; chebi:smiles "COC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CCC(F)(F)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-14454" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103109" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester" . obo:CHEBI_10311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50860 ; chebi:charge "0" ; chebi:formula "C25H41N2O19R" ; chebi:mass "673.596" ; chebi:monoisotopicmass "673.23035" ; chebi:smiles "CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[*]" ; oboInOwl:hasDbXref "KEGG:C11377" ; oboInOwl:hasExactSynonym "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" . _:b1849 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10311 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-D-glucosaminyl-glycoprotein" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103110 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-35-20-10-7-18(8-11-20)30-28(34)31-19-9-12-24-22(13-19)23-14-21(36-25(16-32)27(23)37-24)15-26(33)29-17-5-3-2-4-6-17/h7-13,17,21,23,25,27,32H,2-6,14-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25-,27+/m0/s1" ; chebi:inchikey "ATPIYVGDEBDNGC-NTYBTQPHSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14455" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103110" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103111 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C21H25F2N3O4S" ; chebi:inchi "InChI=1S/C21H25F2N3O4S/c22-14-5-13(6-15(23)7-14)9-26-10-16(27)11-29-12-19-18(26)2-1-17(30-19)8-20(28)25-21-24-3-4-31-21/h3-7,16-19,27H,1-2,8-12H2,(H,24,25,28)/t16-,17-,18-,19+/m1/s1" ; chebi:inchikey "HLMLEGKKEQKEEG-MKXGPGLRSA-N" ; chebi:mass "453.505" ; chebi:monoisotopicmass "453.15338" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-14456" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103111" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide" . obo:CHEBI_103112 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O4" ; chebi:inchi "InChI=1S/C28H40N4O4/c1-19(2)29-28(34)30-23-12-13-25-24(14-23)27(33)31(5)17-26(35-6)20(3)15-32(21(4)18-36-25)16-22-10-8-7-9-11-22/h7-14,19-21,26H,15-18H2,1-6H3,(H2,29,30,34)/t20-,21+,26+/m1/s1" ; chebi:inchikey "XLOJZIOISXYGBL-SWYRRKHMSA-N" ; chebi:mass "496.643" ; chebi:monoisotopicmass "496.30496" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14457" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103112" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103113 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H27Cl2N3O5" ; chebi:inchi "InChI=1S/C23H27Cl2N3O5/c1-32-20-5-3-2-4-18(20)27-23(31)28-19-9-7-15(33-21(19)13-29)11-22(30)26-12-14-6-8-16(24)17(25)10-14/h2-6,8,10,15,19,21,29H,7,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,19+,21+/m0/s1" ; chebi:inchikey "XCDRDXJNPKYISK-NYSBEXSLSA-N" ; chebi:mass "496.384" ; chebi:monoisotopicmass "495.13278" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14458" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103113" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide" . obo:CHEBI_103114 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C31H33ClN4O5" ; chebi:inchi "InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28-/m1/s1" ; chebi:inchikey "SECMWWJMRQEFAV-KODFZCBSSA-N" ; chebi:mass "577.072" ; chebi:monoisotopicmass "576.21395" ; chebi:smiles "CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14459" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103114" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide" . obo:CHEBI_103115 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18+,21+/m1/s1" ; chebi:inchikey "WGFFUWNETOGMCB-LQWHRVPQSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14460" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103115" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_103116 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C30H35N3O8" ; chebi:inchi "InChI=1S/C30H35N3O8/c1-33-23-5-4-21(14-28(34)31-15-18-2-6-25-26(12-18)40-17-39-25)41-27(23)16-38-24-7-3-20(13-22(24)30(33)36)32-29(35)19-8-10-37-11-9-19/h2-3,6-7,12-13,19,21,23,27H,4-5,8-11,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,27+/m1/s1" ; chebi:inchikey "JZWHDUCFLDKMHA-ZYVVXELTSA-N" ; chebi:mass "565.615" ; chebi:monoisotopicmass "565.24242" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14461" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103116" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103117 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H28N4O5" ; chebi:inchi "InChI=1S/C21H28N4O5/c1-13-10-22-14(2)12-29-18-9-15(24-20(26)17-7-8-23-30-17)5-6-16(18)21(27)25(3)11-19(13)28-4/h5-9,13-14,19,22H,10-12H2,1-4H3,(H,24,26)/t13-,14-,19-/m0/s1" ; chebi:inchikey "UYCGUZMTEQILNL-NJSLBKSFSA-N" ; chebi:mass "416.472" ; chebi:monoisotopicmass "416.20597" ; chebi:smiles "C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14462" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103117" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide" . obo:CHEBI_103118 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C32H42N4O4" ; chebi:inchi "InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28+/m0/s1" ; chebi:inchikey "QNPXTRYBNJAKIP-ICLSSZMYSA-N" ; chebi:mass "546.701" ; chebi:monoisotopicmass "546.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14463" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103118" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14463" . obo:CHEBI_103119 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O6S" ; chebi:inchi "InChI=1S/C22H32N4O6S/c1-13-10-23-14(2)12-31-19-8-7-17(9-18(19)22(27)26(5)11-20(13)30-6)25-33(28,29)21-15(3)24-32-16(21)4/h7-9,13-14,20,23,25H,10-12H2,1-6H3/t13-,14+,20-/m0/s1" ; chebi:inchikey "LINNEEFEDHMFDS-MNVSYLFESA-N" ; chebi:mass "480.580" ; chebi:monoisotopicmass "480.20426" ; chebi:smiles "C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14464" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103119" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3,5-dimethyl-4-isoxazolesulfonamide" . obo:CHEBI_10312 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17725 ; owl:deprecated true . obo:CHEBI_103120 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H29FN2O6S" ; chebi:inchi "InChI=1S/C29H29FN2O6S/c30-20-5-8-23(9-6-20)39(35,36)31-21-7-10-26-24(13-21)25-14-22(37-27(17-33)29(25)38-26)15-28(34)32-12-11-18-3-1-2-4-19(18)16-32/h1-10,13,22,25,27,29,31,33H,11-12,14-17H2/t22-,25+,27+,29-/m0/s1" ; chebi:inchikey "RHYJRBPAXZYDBS-VWGZZBOQSA-N" ; chebi:mass "552.616" ; chebi:monoisotopicmass "552.17304" ; chebi:smiles "C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NS(=O)(=O)C6=CC=C(C=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-14465" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103120" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-fluorobenzenesulfonamide" . obo:CHEBI_103121 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C23H30N2O5" ; chebi:inchi "InChI=1S/C23H30N2O5/c26-12-20-23-18(9-16(29-20)10-21(27)24-11-14-3-4-14)17-8-15(5-6-19(17)30-23)25-22(28)7-13-1-2-13/h5-6,8,13-14,16,18,20,23,26H,1-4,7,9-12H2,(H,24,27)(H,25,28)/t16-,18-,20+,23+/m0/s1" ; chebi:inchikey "WARQVQDGSWZACN-VSCJKUSUSA-N" ; chebi:mass "414.496" ; chebi:monoisotopicmass "414.21547" ; chebi:smiles "C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-14466" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103121" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide" . obo:CHEBI_103122 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H41N3O5" ; chebi:inchi "InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30+,33+/m0/s1" ; chebi:inchikey "ZXKFKEACMTVYCV-OXGZXGIMSA-N" ; chebi:mass "583.718" ; chebi:monoisotopicmass "583.30462" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14467" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103122" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14467" . obo:CHEBI_103123 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H34N2O5" ; chebi:inchi "InChI=1S/C25H34N2O5/c1-18(13-27(19(2)16-28)25(29)21-8-6-5-7-9-21)24(30-4)15-26(3)14-20-10-11-22-23(12-20)32-17-31-22/h5-12,18-19,24,28H,13-17H2,1-4H3/t18-,19+,24+/m1/s1" ; chebi:inchikey "RDQYWFNTQPCNSM-IMWIBFENSA-N" ; chebi:mass "442.549" ; chebi:monoisotopicmass "442.24677" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14468" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103123" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide" . obo:CHEBI_103124 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C21H31N3O6" ; chebi:inchi "InChI=1S/C21H31N3O6/c1-24(2)11-20(27)23-13-4-5-17-15(8-13)16-9-14(10-19(26)22-6-7-28-3)29-18(12-25)21(16)30-17/h4-5,8,14,16,18,21,25H,6-7,9-12H2,1-3H3,(H,22,26)(H,23,27)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "ZSBYESKXZOGBOW-GXLIZGDTSA-N" ; chebi:mass "421.488" ; chebi:monoisotopicmass "421.22129" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-14469" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103124" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103125 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H38N4O5S" ; chebi:inchi "InChI=1S/C27H38N4O5S/c1-18-14-31(16-25-28-9-12-37-25)19(2)17-36-23-13-21(29-26(32)20-7-10-35-11-8-20)5-6-22(23)27(33)30(3)15-24(18)34-4/h5-6,9,12-13,18-20,24H,7-8,10-11,14-17H2,1-4H3,(H,29,32)/t18-,19+,24-/m1/s1" ; chebi:inchikey "FGARXSMYVPQAMN-YDIMBITNSA-N" ; chebi:mass "530.682" ; chebi:monoisotopicmass "530.25629" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-14470" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103125" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_103126 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C23H20N4O2" ; chebi:inchi "InChI=1S/C23H20N4O2/c24-11-20-23(18-8-6-17(7-9-18)19-12-25-15-26-13-19)21(14-28)27(20)22(29)10-16-4-2-1-3-5-16/h1-9,12-13,15,20-21,23,28H,10,14H2/t20-,21+,23-/m1/s1" ; chebi:inchikey "OPKRCVVELWLOIA-FUPPJEDESA-N" ; chebi:mass "384.431" ; chebi:monoisotopicmass "384.15863" ; chebi:smiles "C1=CC=C(C=C1)CC(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CN=CN=C4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14471" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103126" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103127 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C28H32N2O8" ; chebi:inchi "InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21-,25+,27+/m0/s1" ; chebi:inchikey "MOISLORHFJLABX-ZTUCRWOVSA-N" ; chebi:mass "524.563" ; chebi:monoisotopicmass "524.21587" ; chebi:smiles "C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14472" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103127" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aS,9aR)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide" . obo:CHEBI_103128 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C20H29N3O6S" ; chebi:inchi "InChI=1S/C20H29N3O6S/c1-22-5-7-23(8-6-22)19(25)11-14-10-16-15-9-13(21-30(2,26)27)3-4-17(15)29-20(16)18(12-24)28-14/h3-4,9,14,16,18,20-21,24H,5-8,10-12H2,1-2H3/t14-,16-,18+,20+/m1/s1" ; chebi:inchikey "LHGLZDQGJZRLBC-BIJSTVTOSA-N" ; chebi:mass "439.528" ; chebi:monoisotopicmass "439.17771" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14473" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103128" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide" . obo:CHEBI_103129 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C32H32ClN3O5" ; chebi:inchi "InChI=1S/C32H32ClN3O5/c1-36-27-13-12-23(17-30(37)34-21-10-9-19-5-4-6-20(19)15-21)41-29(27)18-40-28-14-11-22(16-25(28)32(36)39)35-31(38)24-7-2-3-8-26(24)33/h2-3,7-11,14-16,23,27,29H,4-6,12-13,17-18H2,1H3,(H,34,37)(H,35,38)/t23-,27+,29-/m1/s1" ; chebi:inchikey "OTEDYSPKROHHLA-FNHKZSGOSA-N" ; chebi:mass "574.068" ; chebi:monoisotopicmass "573.20305" ; chebi:smiles "CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NC5=CC6=C(CCC6)C=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14474" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103129" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,4aS,12aS)-2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide" . obo:CHEBI_10313 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15679 ; owl:deprecated true . obo:CHEBI_103130 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C27H38N4O6" ; chebi:inchi "InChI=1S/C27H38N4O6/c1-29-9-11-31(12-10-29)25(32)16-20-4-5-22-24(37-20)17-36-23-6-3-19(15-21(23)27(34)30(22)2)28-26(33)18-7-13-35-14-8-18/h3,6,15,18,20,22,24H,4-5,7-14,16-17H2,1-2H3,(H,28,33)/t20-,22-,24-/m0/s1" ; chebi:inchikey "HKYXYLDUIXPRSO-SSPYTLHUSA-N" ; chebi:mass "514.615" ; chebi:monoisotopicmass "514.27913" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C" ; oboInOwl:hasDbXref "LINCS:LSM-14475" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103130" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" . obo:CHEBI_103131 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C30H34FN3O3S" ; chebi:inchi "InChI=1S/C30H34FN3O3S/c1-30(2,3)38(37)34-18-21-17-25(29(36)32-22-10-7-11-22)33-28(27(21)26(34)14-15-35)20-9-6-8-19(16-20)23-12-4-5-13-24(23)31/h4-6,8-9,12-13,16-17,22,26,35H,7,10-11,14-15,18H2,1-3H3,(H,32,36)/t26-,38-/m1/s1" ; chebi:inchikey "PZROTEJUFYWVHW-UOBPVEMNSA-N" ; chebi:mass "535.675" ; chebi:monoisotopicmass "535.23049" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14476" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103131" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide" . obo:CHEBI_103132 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O4" ; chebi:inchi "InChI=1S/C20H28N2O4/c1-22(2)13-5-6-17-15(7-13)16-8-14(25-18(11-23)20(16)26-17)9-19(24)21-10-12-3-4-12/h5-7,12,14,16,18,20,23H,3-4,8-11H2,1-2H3,(H,21,24)/t14-,16+,18-,20-/m0/s1" ; chebi:inchikey "JLJMCVQNTFDIRA-HUOQQOJOSA-N" ; chebi:mass "360.448" ; chebi:monoisotopicmass "360.20491" ; chebi:smiles "CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-14477" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103132" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide" . obo:CHEBI_103133 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O5S" ; chebi:inchi "InChI=1S/C25H35N3O5S/c1-17-9-7-8-10-24(17)34(30,31)26-20-11-12-21-22(13-20)33-16-19(3)27(4)14-18(2)23(32-6)15-28(5)25(21)29/h7-13,18-19,23,26H,14-16H2,1-6H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "VMCYUUKPCWGJCJ-YYDVJCTNSA-N" ; chebi:mass "489.630" ; chebi:monoisotopicmass "489.22974" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14478" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103133" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide" . obo:CHEBI_103134 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21+,22-/m1/s1" ; chebi:inchikey "XYLRKRISJMFHFX-DOYHNPMNSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14479" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103134" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14479" . obo:CHEBI_103135 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O5S" ; chebi:inchi "InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24-/m1/s1" ; chebi:inchikey "NFKQXDUJHPCZLU-KHCICDEESA-N" ; chebi:mass "504.644" ; chebi:monoisotopicmass "504.24064" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-14480" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103135" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide" . obo:CHEBI_103136 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C20H27FN4O4" ; chebi:inchi "InChI=1S/C20H27FN4O4/c1-24-8-10-25(11-9-24)19(27)12-14-6-7-17(18(13-26)29-14)23-20(28)22-16-5-3-2-4-15(16)21/h2-7,14,17-18,26H,8-13H2,1H3,(H2,22,23,28)/t14-,17+,18+/m1/s1" ; chebi:inchikey "ZHYLMLAAZLDJNG-JLSDUUJJSA-N" ; chebi:mass "406.452" ; chebi:monoisotopicmass "406.20163" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC=CC=C3F" ; oboInOwl:hasDbXref "LINCS:LSM-14481" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103136" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea" . obo:CHEBI_103137 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36FN3O5" ; chebi:inchi "InChI=1S/C27H36FN3O5/c1-18-13-31(14-20-7-6-8-21(28)11-20)19(2)16-36-24-12-22(29-26(32)17-34-4)9-10-23(24)27(33)30(3)15-25(18)35-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)/t18-,19-,25+/m1/s1" ; chebi:inchikey "KGYIFIZLZVXLPC-RRQZXNHTSA-N" ; chebi:mass "501.591" ; chebi:monoisotopicmass "501.26390" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14482" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103137" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5R,6R,9R)-8-[(3-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103138 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H33N3O5S" ; chebi:inchi "InChI=1S/C22H33N3O5S/c1-17-5-8-19(9-6-17)31(28,29)24-20-10-7-18(30-21(20)16-26)15-22(27)23-11-14-25-12-3-2-4-13-25/h5-10,18,20-21,24,26H,2-4,11-16H2,1H3,(H,23,27)/t18-,20+,21-/m0/s1" ; chebi:inchikey "VUOOERVJSWLFKU-TYPHKJRUSA-N" ; chebi:mass "451.581" ; chebi:monoisotopicmass "451.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14483" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103138" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide" . obo:CHEBI_103139 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H31N5O3" ; chebi:inchi "InChI=1S/C28H31N5O3/c1-2-14-32-25-22(23(17-34)26(32)27(35)30-15-21-12-13-29-18-31-21)16-33-24(25)11-10-20(28(33)36)9-8-19-6-4-3-5-7-19/h3-13,18,22-23,25-26,34H,2,14-17H2,1H3,(H,30,35)/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "HXYTZOMMTUQQOD-VHCQPULKSA-N" ; chebi:mass "485.578" ; chebi:monoisotopicmass "485.24269" ; chebi:smiles "CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]([C@@H]1C(=O)NCC5=NC=NC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14484" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103139" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14484" . obo:CHEBI_10314 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17483 ; owl:deprecated true . obo:CHEBI_103140 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H37N3O4S" ; chebi:inchi "InChI=1S/C27H37N3O4S/c31-22-16-30(17-26-28-10-13-35-26)24-7-6-23(34-25(24)19-33-18-22)15-27(32)29-11-8-21(9-12-29)14-20-4-2-1-3-5-20/h1-5,10,13,21-25,31H,6-9,11-12,14-19H2/t22-,23-,24-,25+/m1/s1" ; chebi:inchikey "XKLJDQDBSRSGED-VPBXCIAMSA-N" ; chebi:mass "499.667" ; chebi:monoisotopicmass "499.25048" ; chebi:smiles "C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14485" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103140" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone" . obo:CHEBI_103141 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C28H38N2O5" ; chebi:inchi "InChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21+,26+/m1/s1" ; chebi:inchikey "BBROUNWBLSFMDY-SWYRRKHMSA-N" ; chebi:mass "482.613" ; chebi:monoisotopicmass "482.27807" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14486" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103141" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14486" . obo:CHEBI_103142 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H33FN2O5S" ; chebi:inchi "InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m1/s1" ; chebi:inchikey "QWRJLEHIBFFHOL-GNMOFYLKSA-N" ; chebi:mass "540.648" ; chebi:monoisotopicmass "540.20942" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14487" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103142" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14487" . obo:CHEBI_103143 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C25H30N2O6" ; chebi:inchi "InChI=1S/C25H30N2O6/c1-15(16-6-4-3-5-7-16)26-23(29)12-18-11-20-19-10-17(27-24(30)14-31-2)8-9-21(19)33-25(20)22(13-28)32-18/h3-10,15,18,20,22,25,28H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t15-,18+,20+,22-,25-/m0/s1" ; chebi:inchikey "ALLGXHRZPBERLG-OOKMIWCSSA-N" ; chebi:mass "454.516" ; chebi:monoisotopicmass "454.21039" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14488" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103143" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103144 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H30N4O5S" ; chebi:inchi "InChI=1S/C21H30N4O5S/c1-16(20(30-4)14-24(3)21(27)19-12-22-10-11-23-19)13-25(17(2)15-26)31(28,29)18-8-6-5-7-9-18/h5-12,16-17,20,26H,13-15H2,1-4H3/t16-,17-,20-/m1/s1" ; chebi:inchikey "RULZJLKRRRCHIA-MBOZVWFJSA-N" ; chebi:mass "450.554" ; chebi:monoisotopicmass "450.19369" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14489" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103144" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide" . obo:CHEBI_103145 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H33N5O6S" ; chebi:inchi "InChI=1S/C23H33N5O6S/c1-15-10-28(35(31,32)22-12-26(4)14-24-22)16(2)13-34-20-8-7-18(25-17(3)29)9-19(20)23(30)27(5)11-21(15)33-6/h7-9,12,14-16,21H,10-11,13H2,1-6H3,(H,25,29)/t15-,16-,21-/m0/s1" ; chebi:inchikey "QWCMRWQEQWRTJY-QYWGDWMGSA-N" ; chebi:mass "507.605" ; chebi:monoisotopicmass "507.21515" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-14490" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103145" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_103146 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H36N4O4S" ; chebi:inchi "InChI=1S/C25H36N4O4S/c1-6-7-23(30)27-19-8-9-21-20(12-19)25(31)28(4)14-22(32-5)17(2)13-29(18(3)16-33-21)15-24-26-10-11-34-24/h8-12,17-18,22H,6-7,13-16H2,1-5H3,(H,27,30)/t17-,18-,22-/m0/s1" ; chebi:inchikey "LLNFNSHBDLACGS-SPEDKVCISA-N" ; chebi:mass "488.645" ; chebi:monoisotopicmass "488.24573" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C" ; oboInOwl:hasDbXref "LINCS:LSM-14491" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103146" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_103147 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C19H26FN3O5S" ; chebi:inchi "InChI=1S/C19H26FN3O5S/c1-22-7-9-23(10-8-22)19(25)12-15-5-6-17(18(13-24)28-15)21-29(26,27)16-4-2-3-14(20)11-16/h2-6,11,15,17-18,21,24H,7-10,12-13H2,1H3/t15-,17-,18+/m0/s1" ; chebi:inchikey "BAJOMULNWMTCGT-RYQLBKOJSA-N" ; chebi:mass "427.492" ; chebi:monoisotopicmass "427.15772" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14492" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103147" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide" . obo:CHEBI_103148 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H28N4O4" ; chebi:inchi "InChI=1S/C22H28N4O4/c27-15-20-19(26-22(29)13-17-3-1-2-9-24-17)5-4-18(30-20)14-21(28)25-12-8-16-6-10-23-11-7-16/h1-3,6-7,9-11,18-20,27H,4-5,8,12-15H2,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1" ; chebi:inchikey "GUCCOCGWZUYAMY-AABGKKOBSA-N" ; chebi:mass "412.483" ; chebi:monoisotopicmass "412.21106" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-14493" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103148" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_103149 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C20H28N2O6" ; chebi:inchi "InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17-,20-/m1/s1" ; chebi:inchikey "ZWJVDCAUIXXXGX-YBLQJDFOSA-N" ; chebi:mass "392.447" ; chebi:monoisotopicmass "392.19474" ; chebi:smiles "CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14494" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103149" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_10315 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16401 ; owl:deprecated true . obo:CHEBI_103150 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29ClN2O7S" ; chebi:inchi "InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24-,26-,28+/m1/s1" ; chebi:inchikey "XHFXJTPXFPIUNX-XILASOBOSA-N" ; chebi:mass "573.059" ; chebi:monoisotopicmass "572.13840" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14495" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103150" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide" . obo:CHEBI_103151 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H35N3O6" ; chebi:inchi "InChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18+,21+,22+,23+/m0/s1" ; chebi:inchikey "YDHXSWOLXDIZHC-JWRSUQAPSA-N" ; chebi:mass "473.563" ; chebi:monoisotopicmass "473.25259" ; chebi:smiles "C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14496" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103151" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14496" . obo:CHEBI_103152 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C30H30N2O7" ; chebi:inchi "InChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21-,23+,27-,29-/m1/s1" ; chebi:inchikey "PKVMSJKEIKOOIO-QCDCGYHRSA-N" ; chebi:mass "530.570" ; chebi:monoisotopicmass "530.20530" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-14497" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103152" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103153 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H30FN3O4" ; chebi:inchi "InChI=1S/C21H30FN3O4/c22-16-5-3-4-15(12-16)21(28)24-18-7-6-17(29-19(18)14-26)13-20(27)23-8-11-25-9-1-2-10-25/h3-5,12,17-19,26H,1-2,6-11,13-14H2,(H,23,27)(H,24,28)/t17-,18+,19+/m1/s1" ; chebi:inchikey "DCVAKYLGJMAIQD-QYZOEREBSA-N" ; chebi:mass "407.480" ; chebi:monoisotopicmass "407.22203" ; chebi:smiles "C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14498" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103153" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide" . obo:CHEBI_103154 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 ; chebi:charge "0" ; chebi:formula "C21H21F2N3O4" ; chebi:inchi "InChI=1S/C21H21F2N3O4/c22-14-7-13(8-15(23)9-14)11-25-20(28)10-16-4-5-17(19(12-27)30-16)26-21(29)18-3-1-2-6-24-18/h1-9,16-17,19,27H,10-12H2,(H,25,28)(H,26,29)/t16-,17+,19+/m1/s1" ; chebi:inchikey "UVJMALWFIRFJAR-AOIWGVFYSA-N" ; chebi:mass "417.407" ; chebi:monoisotopicmass "417.15001" ; chebi:smiles "C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14499" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103154" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide" . obo:CHEBI_103155 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H32F3N3O3" ; chebi:inchi "InChI=1S/C24H32F3N3O3/c1-16(23(33-4)14-29(3)13-18-11-20(26)7-10-22(18)27)12-30(17(2)15-31)24(32)28-21-8-5-19(25)6-9-21/h5-11,16-17,23,31H,12-15H2,1-4H3,(H,28,32)/t16-,17+,23+/m1/s1" ; chebi:inchikey "FEKMHVLVYAIVTJ-DGGJZMOXSA-N" ; chebi:mass "467.525" ; chebi:monoisotopicmass "467.23958" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14500" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103155" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea" . obo:CHEBI_103156 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18-,20-,21+/m0/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-JYAXBFRTSA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14501" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103156" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_103157 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H39N3O6" ; chebi:inchi "InChI=1S/C30H39N3O6/c1-20-17-33(29(35)23-8-6-5-7-9-23)21(2)19-39-26-16-24(31-28(34)22-12-14-38-15-13-22)10-11-25(26)30(36)32(3)18-27(20)37-4/h5-11,16,20-22,27H,12-15,17-19H2,1-4H3,(H,31,34)/t20-,21-,27-/m1/s1" ; chebi:inchikey "ZEGIYGLHXRHVDM-LGVUCKNBSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.28389" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14502" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103157" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide" . obo:CHEBI_103158 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17+,18-/m0/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-MLHJIOFPSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14503" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103158" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3S,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103159 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H27FN4O5" ; chebi:inchi "InChI=1S/C21H27FN4O5/c1-12-19(13(2)31-26-12)25-21(29)23-10-9-16-7-8-17(18(11-27)30-16)24-20(28)14-3-5-15(22)6-4-14/h3-6,16-18,27H,7-11H2,1-2H3,(H,24,28)(H2,23,25,29)/t16-,17+,18-/m0/s1" ; chebi:inchikey "VZLRHERICGIZBB-KSZLIROESA-N" ; chebi:mass "434.462" ; chebi:monoisotopicmass "434.19655" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14504" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103159" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide" . obo:CHEBI_10316 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16376 ; owl:deprecated true . obo:CHEBI_103160 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C16H23N3O3" ; chebi:inchi "InChI=1S/C16H23N3O3/c1-3-7-17-16(22)15-11(9-20)10-8-19-12(14(10)18(15)2)5-4-6-13(19)21/h4-6,10-11,14-15,20H,3,7-9H2,1-2H3,(H,17,22)/t10-,11-,14+,15-/m1/s1" ; chebi:inchikey "MRYDESPSWZCGBB-HKCMKHECSA-N" ; chebi:mass "305.373" ; chebi:monoisotopicmass "305.17394" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14505" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103160" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103161 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16+,18+,21-/m0/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-QYDULMRYSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14506" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103161" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_103162 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H35F2N3O4" ; chebi:inchi "InChI=1S/C28H35F2N3O4/c1-17-13-33(14-20-11-21(29)7-10-24(20)30)18(2)16-37-25-12-22(31-27(34)19-5-6-19)8-9-23(25)28(35)32(3)15-26(17)36-4/h7-12,17-19,26H,5-6,13-16H2,1-4H3,(H,31,34)/t17-,18-,26-/m1/s1" ; chebi:inchikey "MHGGQJRIOQBKBK-UYPAYLBCSA-N" ; chebi:mass "515.593" ; chebi:monoisotopicmass "515.25956" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)CC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14507" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103162" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide" . obo:CHEBI_103163 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18-,20-,22+,24+/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-GFUUYCAGSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14508" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103163" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103164 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H42N4O4" ; chebi:inchi "InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22-,27+/m0/s1" ; chebi:inchikey "UPHSEAQPRHOHRJ-BCQCSXDESA-N" ; chebi:mass "534.691" ; chebi:monoisotopicmass "534.32061" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14509" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103164" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14509" . obo:CHEBI_103165 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O6" ; chebi:inchi "InChI=1S/C35H42N4O6/c1-22-18-39(23(2)20-40)34(41)33-32(27-13-9-10-14-29(27)38(33)4)26-12-8-7-11-24(26)21-45-31(22)19-37(3)35(42)36-28-16-15-25(43-5)17-30(28)44-6/h7-17,22-23,31,40H,18-21H2,1-6H3,(H,36,42)/t22-,23-,31-/m1/s1" ; chebi:inchikey "NTGYADANNGAILP-CEFNRUSXSA-N" ; chebi:mass "614.733" ; chebi:monoisotopicmass "614.31044" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14510" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103165" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14510" . obo:CHEBI_103166 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27N3O6S" ; chebi:inchi "InChI=1S/C22H27N3O6S/c1-30-17-2-5-19(6-3-17)32(28,29)25-20-7-4-18(31-21(20)15-26)14-22(27)24-13-10-16-8-11-23-12-9-16/h2-9,11-12,18,20-21,25-26H,10,13-15H2,1H3,(H,24,27)/t18-,20+,21+/m1/s1" ; chebi:inchikey "SKMIIEGWSYGYOW-GIVPXCGWSA-N" ; chebi:mass "461.533" ; chebi:monoisotopicmass "461.16206" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14511" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103166" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide" . obo:CHEBI_103167 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H30Cl2FN3O4" ; chebi:inchi "InChI=1S/C24H30Cl2FN3O4/c1-15(12-30(16(2)14-31)24(33)28-21-7-5-20(27)6-8-21)22(34-4)13-29(3)23(32)17-9-18(25)11-19(26)10-17/h5-11,15-16,22,31H,12-14H2,1-4H3,(H,28,33)/t15-,16+,22+/m0/s1" ; chebi:inchikey "IBBRHRMMLVXSHB-WJONJSRFSA-N" ; chebi:mass "514.418" ; chebi:monoisotopicmass "513.15974" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14512" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103167" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5-dichloro-N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide" . obo:CHEBI_103168 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C27H35N3O5" ; chebi:inchi "InChI=1S/C27H35N3O5/c31-23-17-30(16-20-2-1-3-22(14-20)21-6-8-28-9-7-21)25-5-4-24(35-26(25)19-34-18-23)15-27(32)29-10-12-33-13-11-29/h1-3,6-9,14,23-26,31H,4-5,10-13,15-19H2/t23-,24-,25-,26+/m0/s1" ; chebi:inchikey "VMOCTUISBGPURH-ASDGIDEWSA-N" ; chebi:mass "481.585" ; chebi:monoisotopicmass "481.25767" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@@H]1CC(=O)N5CCOCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14513" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103168" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone" . obo:CHEBI_103169 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21+,26-/m1/s1" ; chebi:inchikey "IOFIBAZLXDARLU-YZIHRLCOSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14514" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103169" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide" . obo:CHEBI_10317 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17884 ; owl:deprecated true . obo:CHEBI_103170 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C18H25N3O5" ; chebi:inchi "InChI=1S/C18H25N3O5/c22-12-16-14(20-18(24)15-3-1-2-6-19-15)5-4-13(26-16)11-17(23)21-7-9-25-10-8-21/h1-3,6,13-14,16,22H,4-5,7-12H2,(H,20,24)/t13-,14+,16-/m1/s1" ; chebi:inchikey "QWCXAENNPFGWBU-IJEWVQPXSA-N" ; chebi:mass "363.409" ; chebi:monoisotopicmass "363.17942" ; chebi:smiles "C1C[C@@H]([C@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-14515" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103170" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide" . obo:CHEBI_103171 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C33H44N4O4" ; chebi:inchi "InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23-,29+/m0/s1" ; chebi:inchikey "INXMEFHWZGRULI-SBZVUBOMSA-N" ; chebi:mass "560.728" ; chebi:monoisotopicmass "560.33626" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14516" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103171" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14516" . obo:CHEBI_103172 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-17-13-25-18(2)15-32-22-11-10-20(12-21(22)24(28)27(3)14-23(17)31-4)26-33(29,30)16-19-8-6-5-7-9-19/h5-12,17-18,23,25-26H,13-16H2,1-4H3/t17-,18-,23-/m1/s1" ; chebi:inchikey "ITUDOLAPOXZKHG-PMAPCBKXSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14517" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103172" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide" . obo:CHEBI_103173 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H33F3N2O5" ; chebi:inchi "InChI=1S/C27H33F3N2O5/c28-27(29,30)12-13-32-16-20(33)17-35-18-25-24(32)11-10-23(37-25)14-26(34)31-15-19-6-8-22(9-7-19)36-21-4-2-1-3-5-21/h1-9,20,23-25,33H,10-18H2,(H,31,34)/t20-,23-,24+,25-/m1/s1" ; chebi:inchikey "HZAABOSBDYXUMN-ZBCONREDSA-N" ; chebi:mass "522.558" ; chebi:monoisotopicmass "522.23416" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14518" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103173" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide" . obo:CHEBI_103174 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H33Cl2N3O3" ; chebi:inchi "InChI=1S/C24H33Cl2N3O3/c1-17(13-29(18(2)16-30)14-19-7-5-6-8-22(19)26)23(32-4)15-28(3)24(31)27-21-11-9-20(25)10-12-21/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,27,31)/t17-,18+,23+/m0/s1" ; chebi:inchikey "REZGKQRSIIUNQT-YZZKKUAISA-N" ; chebi:mass "482.444" ; chebi:monoisotopicmass "481.18990" ; chebi:smiles "C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14519" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103174" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea" . obo:CHEBI_103175 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C29H41N3O4" ; chebi:inchi "InChI=1S/C29H41N3O4/c1-19(2)22(5)30-29(35)31(6)16-27-20(3)15-32(21(4)17-33)28(34)26-14-10-9-13-25(26)24-12-8-7-11-23(24)18-36-27/h7-14,19-22,27,33H,15-18H2,1-6H3,(H,30,35)/t20-,21-,22-,27+/m1/s1" ; chebi:inchikey "RFSXMDVZFWHRJB-RKGZYEPBSA-N" ; chebi:mass "495.655" ; chebi:monoisotopicmass "495.30971" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C(C)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14520" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103175" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14520" . obo:CHEBI_103176 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H32F5N3O3" ; chebi:inchi "InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23+/m0/s1" ; chebi:inchikey "JTIGHJUHEGWKGG-YGKZAACZSA-N" ; chebi:mass "517.533" ; chebi:monoisotopicmass "517.23638" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14521" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103176" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103177 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H36N4O6" ; chebi:inchi "InChI=1S/C32H36N4O6/c1-36-27-13-12-25(19-30(37)33-16-15-21-7-4-3-5-8-21)42-29(27)20-41-28-14-11-23(18-26(28)31(36)38)35-32(39)34-22-9-6-10-24(17-22)40-2/h3-11,14,17-18,25,27,29H,12-13,15-16,19-20H2,1-2H3,(H,33,37)(H2,34,35,39)/t25-,27-,29+/m0/s1" ; chebi:inchikey "UEIQSFPBDLFQGU-MDZVADFISA-N" ; chebi:mass "572.653" ; chebi:monoisotopicmass "572.26348" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-14522" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103177" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103178 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C31H38N4O6S" ; chebi:inchi "InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27+/m1/s1" ; chebi:inchikey "HAVPCKYPPPKWEI-JVAFGIKQSA-N" ; chebi:mass "594.724" ; chebi:monoisotopicmass "594.25121" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14523" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103178" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14523" . obo:CHEBI_103179 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H38N4O6S" ; chebi:inchi "InChI=1S/C29H38N4O6S/c1-3-40(36,37)31-21-9-12-26-24(15-21)29(35)32(2)25-11-10-23(39-27(25)19-38-26)16-28(34)30-22-13-14-33(18-22)17-20-7-5-4-6-8-20/h4-9,12,15,22-23,25,27,31H,3,10-11,13-14,16-19H2,1-2H3,(H,30,34)/t22-,23-,25-,27-/m1/s1" ; chebi:inchikey "IJWLFSVDDGQQHF-JTOATPROSA-N" ; chebi:mass "570.702" ; chebi:monoisotopicmass "570.25121" ; chebi:smiles "CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14524" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103179" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_10318 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22440 ; owl:deprecated true . obo:CHEBI_103180 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25985 ; chebi:charge "0" ; chebi:formula "C34H43N3O4" ; chebi:inchi "InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25-,31-,32+/m0/s1" ; chebi:inchikey "ZQFGNRPCSITOFH-PJKYEMGBSA-N" ; chebi:mass "557.724" ; chebi:monoisotopicmass "557.32536" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14525" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103180" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14525" . obo:CHEBI_103181 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C32H38N4O3" ; chebi:inchi "InChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23+,29-/m0/s1" ; chebi:inchikey "RPGWXCDGQSLPTH-CTWZREHQSA-N" ; chebi:mass "526.670" ; chebi:monoisotopicmass "526.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14526" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103181" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14526" . obo:CHEBI_103182 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C24H28ClN5O3" ; chebi:inchi "InChI=1S/C24H28ClN5O3/c25-18-7-4-8-19(14-18)26-24(32)27-22-10-9-21(33-23(22)16-31)11-12-30-15-20(28-29-30)13-17-5-2-1-3-6-17/h1-8,14-15,21-23,31H,9-13,16H2,(H2,26,27,32)/t21-,22-,23+/m0/s1" ; chebi:inchikey "QIJBHKKZJCMHEO-RJGXRXQPSA-N" ; chebi:mass "469.965" ; chebi:monoisotopicmass "469.18807" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-14527" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103182" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea" . obo:CHEBI_103183 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H30N4O3" ; chebi:inchi "InChI=1S/C24H30N4O3/c1-2-11-27-21-18(19(14-29)22(27)23(30)26-16-6-3-7-16)13-28-20(21)9-8-17(24(28)31)15-5-4-10-25-12-15/h4-5,8-10,12,16,18-19,21-22,29H,2-3,6-7,11,13-14H2,1H3,(H,26,30)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "FSWHIZWXGPVXBM-MPJJRAAHSA-N" ; chebi:mass "422.521" ; chebi:monoisotopicmass "422.23179" ; chebi:smiles "CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5CCC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14528" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103183" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103184 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-LJCOXQHRSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14529" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103184" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14529" . obo:CHEBI_103185 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H35F3N4O3" ; chebi:inchi "InChI=1S/C25H35F3N4O3/c1-30(2)12-5-11-29-23(34)22-19(15-33)18-14-32-20(21(18)31(22)13-10-25(26,27)28)9-8-17(24(32)35)16-6-3-4-7-16/h6,8-9,18-19,21-22,33H,3-5,7,10-15H2,1-2H3,(H,29,34)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "VFQPYNAQKZTJPV-MPJJRAAHSA-N" ; chebi:mass "496.567" ; chebi:monoisotopicmass "496.26613" ; chebi:smiles "CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14530" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103185" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide" . obo:CHEBI_103186 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H32FN3O5" ; chebi:inchi "InChI=1S/C27H32FN3O5/c28-21-8-4-5-9-22(21)31-27(34)30-17-10-11-23-19(12-17)20-13-18(35-24(15-32)26(20)36-23)14-25(33)29-16-6-2-1-3-7-16/h4-5,8-12,16,18,20,24,26,32H,1-3,6-7,13-15H2,(H,29,33)(H2,30,31,34)/t18-,20-,24+,26+/m1/s1" ; chebi:inchikey "GAKFIKLLFOVZGV-ODQDCYGBSA-N" ; chebi:mass "497.560" ; chebi:monoisotopicmass "497.23260" ; chebi:smiles "C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-14531" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103186" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103187 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H22N2O3S" ; chebi:inchi "InChI=1S/C23H22N2O3S/c1-16-4-2-3-5-22(16)29(27,28)25-20(14-24)23(21(25)15-26)19-12-10-18(11-13-19)9-8-17-6-7-17/h2-5,10-13,17,20-21,23,26H,6-7,15H2,1H3/t20-,21+,23-/m1/s1" ; chebi:inchikey "WYRXOKNMJBDANC-FUPPJEDESA-N" ; chebi:mass "406.499" ; chebi:monoisotopicmass "406.13511" ; chebi:smiles "CC1=CC=CC=C1S(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14532" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103187" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile" . obo:CHEBI_103188 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C32H39N3O4" ; chebi:inchi "InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23+,24-,30-/m0/s1" ; chebi:inchikey "VBARFQGDBKSOKL-PUMORYBASA-N" ; chebi:mass "529.671" ; chebi:monoisotopicmass "529.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14533" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103188" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14533" . obo:CHEBI_103189 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20+,22-,24-/m1/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-MOXAOEEZSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14534" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103189" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35682 . _:b1850 rdf:type owl:Restriction . obo:CHEBI_10319 rdfs:subClassOf _:b1850 . _:b1850 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50902 . _:b1851 rdf:type owl:Restriction . obo:CHEBI_10319 rdfs:subClassOf _:b1851 . _:b1851 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76967 . obo:CHEBI_10319 obo:IAO_0000115 "A naphthol carrying a hydroxy group at position 1." ; chebi:charge "0" ; chebi:formula "C10H8O" ; chebi:inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" ; chebi:inchikey "KJCVRFUGPWSIIH-UHFFFAOYSA-N" ; chebi:mass "144.16992" ; chebi:monoisotopicmass "144.05751" ; chebi:smiles "Oc1cccc2ccccc12" ; oboInOwl:hasDbXref "Beilstein:1817321" ; oboInOwl:hasDbXref "CAS:90-15-3" ; oboInOwl:hasDbXref "Gmelin:69192" ; oboInOwl:hasDbXref "HMDB:HMDB0012138" ; oboInOwl:hasDbXref "KEGG:C11714" ; oboInOwl:hasDbXref "MetaCyc:NAPHTHOL" ; oboInOwl:hasDbXref "PDBeChem:1NP" ; oboInOwl:hasDbXref "PMID:16721410" ; oboInOwl:hasDbXref "PMID:18966375" ; oboInOwl:hasDbXref "PMID:22740618" ; oboInOwl:hasDbXref "Reaxys:1817321" ; oboInOwl:hasDbXref "Wikipedia:1-Naphthol" ; oboInOwl:hasExactSynonym "1-Naphthol" ; oboInOwl:hasExactSynonym "naphthalen-1-ol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1-hydroxynaphthalene" ; oboInOwl:hasRelatedSynonym "1-naphthalenol" ; oboInOwl:hasRelatedSynonym "alpha-Naphthol" ; oboInOwl:hasRelatedSynonym "alpha-hydroxynaphthalene" ; oboInOwl:hasRelatedSynonym "alpha-naphthol" ; oboInOwl:id "CHEBI:10319" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1-naphthol" . _:b1852 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1817321" ; rdfs:label "Beilstein" . _:b1853 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:90-15-3" ; rdfs:label "ChemIDplus" . _:b1854 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:90-15-3" ; rdfs:label "KEGG COMPOUND" . _:b1855 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:90-15-3" ; rdfs:label "NIST Chemistry WebBook" . _:b1856 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:69192" ; rdfs:label "Gmelin" . _:b1857 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16721410" ; rdfs:label "Europe PMC" . _:b1858 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18966375" ; rdfs:label "Europe PMC" . _:b1859 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22740618" ; rdfs:label "Europe PMC" . _:b1860 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1817321" ; rdfs:label "Reaxys" . _:b1861 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-Naphthol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1862 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "naphthalen-1-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1863 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-hydroxynaphthalene" ; oboInOwl:hasDbXref "HMDB" . _:b1864 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-naphthalenol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1865 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Naphthol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1866 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-hydroxynaphthalene" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1867 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10319 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-naphthol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . obo:CHEBI_103190 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C31H32FN3O6S" ; chebi:inchi "InChI=1S/C31H32FN3O6S/c1-35-26-12-11-23(17-30(36)33-22-14-19-6-2-3-7-20(19)15-22)41-28(26)18-40-27-13-10-21(16-24(27)31(35)37)34-42(38,39)29-9-5-4-8-25(29)32/h2-10,13,16,22-23,26,28,34H,11-12,14-15,17-18H2,1H3,(H,33,36)/t23-,26+,28-/m0/s1" ; chebi:inchikey "WCNQFBRPFNRKRV-AQHOXQCLSA-N" ; chebi:mass "593.668" ; chebi:monoisotopicmass "593.19959" ; chebi:smiles "CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NC5CC6=CC=CC=C6C5" ; oboInOwl:hasDbXref "LINCS:LSM-14535" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103190" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aR,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide" . obo:CHEBI_103191 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H43N5O4" ; chebi:inchi "InChI=1S/C33H43N5O4/c1-6-16-35-33(40)36-27-14-15-30-28(18-27)32(39)37(4)21-31(41-5)23(2)19-38(24(3)22-42-30)20-25-10-12-26(13-11-25)29-9-7-8-17-34-29/h7-15,17-18,23-24,31H,6,16,19-22H2,1-5H3,(H2,35,36,40)/t23-,24+,31-/m0/s1" ; chebi:inchikey "DHPIXDXHWYRYQT-JLELKNTQSA-N" ; chebi:mass "573.727" ; chebi:monoisotopicmass "573.33150" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C" ; oboInOwl:hasDbXref "LINCS:LSM-14536" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103191" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_103192 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H21FN2O2" ; chebi:inchi "InChI=1S/C23H21FN2O2/c1-15(2)6-7-16-8-10-17(11-9-16)22-20(13-25)26(21(22)14-27)23(28)18-4-3-5-19(24)12-18/h3-5,8-12,15,20-22,27H,14H2,1-2H3/t20-,21-,22+/m0/s1" ; chebi:inchikey "DGEMMPDKDCWCNC-FDFHNCONSA-N" ; chebi:mass "376.424" ; chebi:monoisotopicmass "376.15871" ; chebi:smiles "CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14537" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103192" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,4R)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103193 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H16FN3O2" ; chebi:inchi "InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16+,17+/m1/s1" ; chebi:inchikey "NDKYDEPQZPJKDZ-IKGGRYGDSA-N" ; chebi:mass "325.338" ; chebi:monoisotopicmass "325.12265" ; chebi:smiles "C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14538" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103193" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide" . obo:CHEBI_103194 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H42N4O6" ; chebi:inchi "InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19+,24-/m1/s1" ; chebi:inchikey "NYJPVGKIWASVOA-YDIMBITNSA-N" ; chebi:mass "518.647" ; chebi:monoisotopicmass "518.31044" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14539" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103194" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_103195 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C22H22F3N3O5" ; chebi:inchi "InChI=1S/C22H22F3N3O5/c23-22(24,25)11-27-19(30)8-14-7-16-15-6-13(28-21(31)12-2-1-5-26-9-12)3-4-17(15)33-20(16)18(10-29)32-14/h1-6,9,14,16,18,20,29H,7-8,10-11H2,(H,27,30)(H,28,31)/t14-,16+,18+,20-/m1/s1" ; chebi:inchikey "ILIPRRONQGJVHL-VKSDOSABSA-N" ; chebi:mass "465.423" ; chebi:monoisotopicmass "465.15116" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14540" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103195" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide" . obo:CHEBI_103196 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C18H15FN2O2" ; chebi:inchi "InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16+,17-/m1/s1" ; chebi:inchikey "BPKNALSRVQDTLI-IXDOHACOSA-N" ; chebi:mass "310.323" ; chebi:monoisotopicmass "310.11176" ; chebi:smiles "C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14541" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103196" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile" . obo:CHEBI_103197 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H34N4O7" ; chebi:inchi "InChI=1S/C23H34N4O7/c28-14-21-18(26-23(30)25-16-2-5-19-20(12-16)33-15-32-19)4-3-17(34-21)13-22(29)24-6-1-7-27-8-10-31-11-9-27/h2,5,12,17-18,21,28H,1,3-4,6-11,13-15H2,(H,24,29)(H2,25,26,30)/t17-,18-,21+/m0/s1" ; chebi:inchikey "WGFFUWNETOGMCB-BBTUJRGHSA-N" ; chebi:mass "478.540" ; chebi:monoisotopicmass "478.24275" ; chebi:smiles "C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-14542" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103197" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide" . obo:CHEBI_103198 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46942 ; chebi:charge "0" ; chebi:formula "C21H32N4O6" ; chebi:inchi "InChI=1S/C21H32N4O6/c1-12-20(13(2)31-24-12)23-21(28)25-9-15(26)10-29-11-18-17(25)6-5-16(30-18)7-19(27)22-8-14-3-4-14/h14-18,26H,3-11H2,1-2H3,(H,22,27)(H,23,28)/t15-,16+,17+,18-/m1/s1" ; chebi:inchikey "XOXZVIQHUYDNGA-VSZNYVQBSA-N" ; chebi:mass "436.503" ; chebi:monoisotopicmass "436.23218" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14543" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103198" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide" . obo:CHEBI_103199 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H37N5O5S" ; chebi:inchi "InChI=1S/C24H37N5O5S/c1-7-10-29-12-17(2)22(33-6)13-28(5)24(30)20-9-8-19(11-21(20)34-15-18(29)3)26-35(31,32)23-14-27(4)16-25-23/h8-9,11,14,16-18,22,26H,7,10,12-13,15H2,1-6H3/t17-,18+,22-/m1/s1" ; chebi:inchikey "LWIIWTGMFNHRDM-KGVIQGDOSA-N" ; chebi:mass "507.648" ; chebi:monoisotopicmass "507.25154" ; chebi:smiles "CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@@H]1C)C)OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-14544" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103199" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_1032 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28365 ; owl:deprecated true . obo:CHEBI_10320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24302 ; chebi:charge "0" ; chebi:formula "C16H16O7" ; chebi:inchi "InChI=1S/C16H16O7/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-14,16-19H,(H,20,21)/t11-,12-,13+,14-,16+/m0/s1" ; chebi:inchikey "KEQWBZWOGRCILF-JHZZJYKESA-N" ; chebi:mass "320.295" ; chebi:monoisotopicmass "320.08960" ; chebi:smiles "O[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O" ; oboInOwl:hasDbXref "CAS:27710-10-7" ; oboInOwl:hasDbXref "KEGG:C11586" ; oboInOwl:hasExactSynonym "alpha-Naphthyl-beta-D-glucuronide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1-Naphthyl glucuronide" ; oboInOwl:id "CHEBI:10320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Naphthyl-beta-D-glucuronide" . _:b1868 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10320 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:27710-10-7" ; rdfs:label "KEGG COMPOUND" . _:b1869 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10320 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Naphthyl-beta-D-glucuronide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1870 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10320 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Naphthyl glucuronide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103200 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C20H33N3O5S" ; chebi:inchi "InChI=1S/C20H33N3O5S/c1-15-5-8-17(9-6-15)29(26,27)22-18-10-7-16(28-19(18)14-24)13-20(25)21-11-4-12-23(2)3/h5-6,8-9,16,18-19,22,24H,4,7,10-14H2,1-3H3,(H,21,25)/t16-,18+,19-/m0/s1" ; chebi:inchikey "ZAZOOTZCNDNOOW-UHOSZYNNSA-N" ; chebi:mass "427.560" ; chebi:monoisotopicmass "427.21409" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14545" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103200" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide" . obo:CHEBI_103201 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H39N3O7S" ; chebi:inchi "InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23-,25-,27+,28-/m1/s1" ; chebi:inchikey "IXXIZSABFJAVRH-GLXJXMGJSA-N" ; chebi:mass "573.703" ; chebi:monoisotopicmass "573.25087" ; chebi:smiles "COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14546" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103201" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103202 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25+/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-UZEJHQAJSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14547" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103202" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103203 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H35N3O5" ; chebi:inchi "InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25-,26-/m0/s1" ; chebi:inchikey "DIIJYNJFSHJSFY-LCGRTSHQSA-N" ; chebi:mass "505.606" ; chebi:monoisotopicmass "505.25767" ; chebi:smiles "CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14548" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103203" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14548" . obo:CHEBI_103204 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C30H36F3N3O4" ; chebi:inchi "InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "RDYUFLZMPZQAJV-UMEGOILYSA-N" ; chebi:mass "559.621" ; chebi:monoisotopicmass "559.26579" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14549" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103204" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14549" . obo:CHEBI_103205 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-38-28(21)18-31(3)39(35,36)29-16-10-9-15-27(29)37-4/h5-16,21-22,28,33H,17-20H2,1-4H3/t21-,22-,28+/m1/s1" ; chebi:inchikey "IDILRECQKBLRIF-XJGOYTCSSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14550" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103205" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14550" . obo:CHEBI_103206 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H15FN2O" ; chebi:inchi "InChI=1S/C17H15FN2O/c18-14-3-1-2-13(8-14)11-4-6-12(7-5-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17+/m1/s1" ; chebi:inchikey "WYIJFLWERXFFKQ-ZACQAIPSSA-N" ; chebi:mass "282.313" ; chebi:monoisotopicmass "282.11684" ; chebi:smiles "C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14551" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103206" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile" . obo:CHEBI_103207 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C26H33ClN2O4" ; chebi:inchi "InChI=1S/C26H33ClN2O4/c27-21-8-6-20(7-9-21)15-29-16-22(30)17-32-18-25-24(29)11-10-23(33-25)14-26(31)28-13-12-19-4-2-1-3-5-19/h1-9,22-25,30H,10-18H2,(H,28,31)/t22-,23-,24-,25+/m0/s1" ; chebi:inchikey "CXJRMLHIKXWLHJ-OJJQZRKESA-N" ; chebi:mass "473.005" ; chebi:monoisotopicmass "472.21289" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14552" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103207" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103208 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H29N3O6S" ; chebi:inchi "InChI=1S/C22H29N3O6S/c1-30-20-10-6-5-9-18(20)24-22(27)25-19-12-11-16(31-21(19)15-26)13-14-23-32(28,29)17-7-3-2-4-8-17/h2-10,16,19,21,23,26H,11-15H2,1H3,(H2,24,25,27)/t16-,19+,21-/m0/s1" ; chebi:inchikey "XDPGLRIFEVLTPI-SCWSEQNSSA-N" ; chebi:mass "463.549" ; chebi:monoisotopicmass "463.17771" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14553" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103208" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_103209 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C34H40N4O5" ; chebi:inchi "InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-15-8-9-16-29(28)37(32)4)27-14-7-6-11-24(27)21-43-30(22)19-36(3)34(41)35-25-12-10-13-26(17-25)42-5/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23+,30+/m0/s1" ; chebi:inchikey "FNKQMQRSMOAQIH-DDFCPOBKSA-N" ; chebi:mass "584.706" ; chebi:monoisotopicmass "584.29987" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14554" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103209" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14554" . obo:CHEBI_10321 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_73237 ; owl:deprecated true . obo:CHEBI_103210 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36609 ; rdfs:subClassOf obo:CHEBI_47022 . _:b1871 rdf:type owl:Restriction . obo:CHEBI_103210 rdfs:subClassOf _:b1871 . _:b1871 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50904 . obo:CHEBI_103210 obo:IAO_0000115 "A cyclic dicarboxylic anhydride that is the cyclic anhydride of hexahydrophthalic acid." ; chebi:charge "0" ; chebi:formula "C8H10O3" ; chebi:inchi "InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2" ; chebi:inchikey "MUTGBJKUEZFXGO-UHFFFAOYSA-N" ; chebi:mass "154.16320" ; chebi:monoisotopicmass "154.06299" ; chebi:smiles "O=C1OC(=O)C2CCCCC12" ; oboInOwl:hasDbXref "Beilstein:83213" ; oboInOwl:hasDbXref "CAS:85-42-7" ; oboInOwl:hasDbXref "PMID:11409596" ; oboInOwl:hasDbXref "PMID:11952343" ; oboInOwl:hasDbXref "PMID:14602520" ; oboInOwl:hasDbXref "PMID:14728981" ; oboInOwl:hasDbXref "PMID:16243718" ; oboInOwl:hasDbXref "PMID:1789402" ; oboInOwl:hasDbXref "PMID:17939153" ; oboInOwl:hasDbXref "PMID:23899216" ; oboInOwl:hasDbXref "PMID:4008795" ; oboInOwl:hasDbXref "PMID:8209838" ; oboInOwl:hasDbXref "PMID:8252966" ; oboInOwl:hasDbXref "PMID:8354574" ; oboInOwl:hasDbXref "PMID:8865592" ; oboInOwl:hasDbXref "PMID:9348723" ; oboInOwl:hasDbXref "PMID:9878586" ; oboInOwl:hasDbXref "Patent:KR20100115622" ; oboInOwl:hasDbXref "Reaxys:83213" ; oboInOwl:hasExactSynonym "hexahydro-2-benzofuran-1,3-dione" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,2-Cyclohexane dicarboxylic anhydride" ; oboInOwl:hasRelatedSynonym "1,2-Cyclohexanedicarboxylic acid anhydride" ; oboInOwl:hasRelatedSynonym "1,2-Cyclohexanedicarboxylic anhydride" ; oboInOwl:hasRelatedSynonym "Cyclohexane-1,2-dicarboxylic acid anhydride" ; oboInOwl:hasRelatedSynonym "Cyclohexane-1,2-dicarboxylic anhydride" ; oboInOwl:hasRelatedSynonym "HHPA" ; oboInOwl:hasRelatedSynonym "Hexahydrophthalic acid anhydride" ; oboInOwl:hasRelatedSynonym "hexahydro-1,3-isobenzofurandione" ; oboInOwl:id "CHEBI:103210" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "hexahydrophthalic anhydride" . _:b1872 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:83213" ; rdfs:label "Beilstein" . _:b1873 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:85-42-7" ; rdfs:label "ChemIDplus" . _:b1874 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:85-42-7" ; rdfs:label "NIST Chemistry WebBook" . _:b1875 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11409596" ; rdfs:label "Europe PMC" . _:b1876 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11952343" ; rdfs:label "Europe PMC" . _:b1877 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14602520" ; rdfs:label "Europe PMC" . _:b1878 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14728981" ; rdfs:label "Europe PMC" . _:b1879 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16243718" ; rdfs:label "Europe PMC" . _:b1880 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:1789402" ; rdfs:label "Europe PMC" . _:b1881 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17939153" ; rdfs:label "Europe PMC" . _:b1882 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23899216" ; rdfs:label "Europe PMC" . _:b1883 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:4008795" ; rdfs:label "Europe PMC" . _:b1884 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8209838" ; rdfs:label "Europe PMC" . _:b1885 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8252966" ; rdfs:label "Europe PMC" . _:b1886 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8354574" ; rdfs:label "Europe PMC" . _:b1887 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8865592" ; rdfs:label "Europe PMC" . _:b1888 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9348723" ; rdfs:label "Europe PMC" . _:b1889 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:9878586" ; rdfs:label "Europe PMC" . _:b1890 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:83213" ; rdfs:label "Reaxys" . _:b1891 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "hexahydro-2-benzofuran-1,3-dione" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1892 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,2-Cyclohexane dicarboxylic anhydride" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1893 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,2-Cyclohexanedicarboxylic acid anhydride" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1894 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,2-Cyclohexanedicarboxylic anhydride" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1895 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Cyclohexane-1,2-dicarboxylic acid anhydride" ; oboInOwl:hasDbXref "ChEBI" . _:b1896 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Cyclohexane-1,2-dicarboxylic anhydride" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1897 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "HHPA" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1898 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Hexahydrophthalic acid anhydride" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1899 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103210 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hexahydro-1,3-isobenzofurandione" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103211 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b1900 rdf:type owl:Restriction . obo:CHEBI_103211 rdfs:subClassOf _:b1900 . _:b1900 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . _:b1901 rdf:type owl:Restriction . obo:CHEBI_103211 rdfs:subClassOf _:b1901 . _:b1901 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_28875 . obo:CHEBI_103211 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as tetradecanoyl." ; chebi:charge "0" ; chebi:formula "C40H73N3O15P2" ; chebi:inchi "InChI=1S/C40H73N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h27-28,32-33,37-39,46-47H,3-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32-,33-,37-,38-,39-/m1/s1" ; chebi:inchikey "ICFWXMWHAMIZGF-WNAWUNHNSA-N" ; chebi:mass "897.968" ; chebi:monoisotopicmass "897.45169" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasDbXref "MetaCyc:CPD-18388" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "5'-O-[({[(2R)-2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1,2-dimyristoyl-sn-glycero-3-cytidine 5'-diphosphate" ; oboInOwl:hasRelatedSynonym "CDP-1,2-dimyristoyl-sn-glycerol" ; oboInOwl:hasRelatedSynonym "CDP-1,2-dimyristoylglycerol" ; oboInOwl:hasRelatedSynonym "CDP-1,2-ditetradecanoyl-sn-glycerol" ; oboInOwl:hasRelatedSynonym "CDP-1,2-ditetradecanoylglycerol" ; oboInOwl:hasRelatedSynonym "CDP-DG(14:0/14:0)" ; oboInOwl:id "CHEBI:103211" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-ditetradecanoyl-sn-glycero-3-cytidine 5'-diphosphate" . _:b1902 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b1903 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5'-O-[({[(2R)-2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1904 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1,2-dimyristoyl-sn-glycero-3-cytidine 5'-diphosphate" ; oboInOwl:hasDbXref "ChEBI" . _:b1905 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-dimyristoyl-sn-glycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b1906 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-dimyristoylglycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b1907 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-ditetradecanoyl-sn-glycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b1908 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-ditetradecanoylglycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b1909 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103211 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-DG(14:0/14:0)" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103212 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30ClFN2O6S2" ; chebi:inchi "InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22+/m0/s1" ; chebi:inchikey "KNLROJRONDBMAV-GSHUGGBRSA-N" ; chebi:mass "537.068" ; chebi:monoisotopicmass "536.12178" ; chebi:smiles "C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14556" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103212" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_103213 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H30Cl2N2O6S2" ; chebi:inchi "InChI=1S/C22H30Cl2N2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-10-6-8-19(24)12-21)22(32-4)14-25(3)33(28,29)20-9-5-7-18(23)11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "WFGAJOALFFTPKS-YVHKJVDXSA-N" ; chebi:mass "553.522" ; chebi:monoisotopicmass "552.09223" ; chebi:smiles "C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14557" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103213" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-chloro-N-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide" . obo:CHEBI_103214 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C22H26N6O4" ; chebi:inchi "InChI=1S/C22H26N6O4/c1-31-20-5-3-2-4-16(20)19-13-28(27-26-19)11-8-15-6-7-17(21(14-29)32-15)25-22(30)18-12-23-9-10-24-18/h2-5,9-10,12-13,15,17,21,29H,6-8,11,14H2,1H3,(H,25,30)/t15-,17+,21-/m0/s1" ; chebi:inchikey "WCJFLIIYNCSVNP-XPIZARPCSA-N" ; chebi:mass "438.480" ; chebi:monoisotopicmass "438.20155" ; chebi:smiles "COC1=CC=CC=C1C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14558" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103214" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide" . obo:CHEBI_103215 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C21H28N2O7" ; chebi:inchi "InChI=1S/C21H28N2O7/c1-27-12-19(25)22-13-2-3-17-15(8-13)16-9-14(29-18(11-24)21(16)30-17)10-20(26)23-4-6-28-7-5-23/h2-3,8,14,16,18,21,24H,4-7,9-12H2,1H3,(H,22,25)/t14-,16-,18+,21+/m1/s1" ; chebi:inchikey "YLZXNIXKCHRFQK-GXLIZGDTSA-N" ; chebi:mass "420.457" ; chebi:monoisotopicmass "420.18965" ; chebi:smiles "COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14559" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103215" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide" . obo:CHEBI_103216 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H32FN3O4" ; chebi:inchi "InChI=1S/C28H32FN3O4/c29-21-8-4-3-7-18(21)19-11-12-22-26-25(27(35)30-17-5-1-2-6-17)20(15-33)23(14-31(22)28(19)36)32(26)24(34)13-16-9-10-16/h3-4,7-8,11-12,16-17,20,23,25-26,33H,1-2,5-6,9-10,13-15H2,(H,30,35)/t20-,23-,25+,26+/m1/s1" ; chebi:inchikey "ISISPWKPTDWXNP-HDDJIDQQSA-N" ; chebi:mass "493.571" ; chebi:monoisotopicmass "493.23768" ; chebi:smiles "C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)CC6CC6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14560" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103216" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14560" . obo:CHEBI_103217 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C19H21N3OS" ; chebi:inchi "InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17+,18+/m0/s1" ; chebi:inchikey "SLFKQKCTISPXPS-RCCFBDPRSA-N" ; chebi:mass "339.456" ; chebi:monoisotopicmass "339.14053" ; chebi:smiles "CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14561" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103217" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14561" . obo:CHEBI_103218 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H25ClN2O6" ; chebi:inchi "InChI=1S/C24H25ClN2O6/c1-27-19-8-7-17(12-22(28)31-2)33-21(19)13-32-20-9-6-16(11-18(20)24(27)30)26-23(29)14-4-3-5-15(25)10-14/h3-6,9-11,17,19,21H,7-8,12-13H2,1-2H3,(H,26,29)/t17-,19-,21+/m0/s1" ; chebi:inchikey "PZXWXIAUASIELU-HFSMHLIXSA-N" ; chebi:mass "472.919" ; chebi:monoisotopicmass "472.14011" ; chebi:smiles "CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14562" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103218" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester" . obo:CHEBI_103219 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C9H17NO4" ; chebi:inchi "InChI=1S/C9H17NO4/c1-13-9(12)4-6-2-3-7(10)8(5-11)14-6/h6-8,11H,2-5,10H2,1H3/t6-,7-,8+/m1/s1" ; chebi:inchikey "OCLDGUCQSRMFDC-PRJMDXOYSA-N" ; chebi:mass "203.236" ; chebi:monoisotopicmass "203.11576" ; chebi:smiles "COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)N" ; oboInOwl:hasDbXref "LINCS:LSM-14563" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103219" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester" . obo:CHEBI_10322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C17H26N2O" ; chebi:inchi "InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1" ; chebi:inchikey "HXJHQEWSHQXRPH-IPJQOSJUSA-N" ; chebi:mass "274.402" ; chebi:monoisotopicmass "274.20451" ; chebi:smiles "C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@@H]2CCCN3C" ; oboInOwl:hasDbXref "CAS:596-55-4" ; oboInOwl:hasDbXref "KEGG:C09889" ; oboInOwl:hasDbXref "KNApSAcK:C00001951" ; oboInOwl:hasExactSynonym "alpha-Obscurine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Obscurine" . _:b1910 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10322 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:596-55-4" ; rdfs:label "KEGG COMPOUND" . _:b1911 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10322 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Obscurine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103220 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C21H28Cl2N2O6" ; chebi:inchi "InChI=1S/C21H28Cl2N2O6/c1-29-5-4-24-20(27)9-17-2-3-18-19(31-17)12-30-11-16(26)10-25(18)21(28)13-6-14(22)8-15(23)7-13/h6-8,16-19,26H,2-5,9-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m0/s1" ; chebi:inchikey "GXFSXISHSMAVNQ-ZSYWTGECSA-N" ; chebi:mass "475.364" ; chebi:monoisotopicmass "474.13244" ; chebi:smiles "COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-14564" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103220" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103221 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C22H32N4O5S2" ; chebi:inchi "InChI=1S/C22H32N4O5S2/c1-15-11-26(13-21-23-8-9-32-21)16(2)14-31-19-10-17(24-33(5,28)29)6-7-18(19)22(27)25(3)12-20(15)30-4/h6-10,15-16,20,24H,11-14H2,1-5H3/t15-,16+,20-/m1/s1" ; chebi:inchikey "ILRMXYQNFGXKSX-GQIGUUNPSA-N" ; chebi:mass "496.646" ; chebi:monoisotopicmass "496.18141" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-14565" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103221" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide" . obo:CHEBI_103222 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C24H28FN3O5" ; chebi:inchi "InChI=1S/C24H28FN3O5/c1-2-9-26-22(30)12-15-11-17-16-10-14(7-8-20(16)33-23(17)21(13-29)32-15)27-24(31)28-19-6-4-3-5-18(19)25/h3-8,10,15,17,21,23,29H,2,9,11-13H2,1H3,(H,26,30)(H2,27,28,31)/t15-,17+,21-,23-/m0/s1" ; chebi:inchikey "KFOACEMMMUKWEO-KCLKCTNDSA-N" ; chebi:mass "457.496" ; chebi:monoisotopicmass "457.20130" ; chebi:smiles "CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F" ; oboInOwl:hasDbXref "LINCS:LSM-14566" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103222" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide" . obo:CHEBI_103223 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C22H27FN4O6S" ; chebi:inchi "InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18+,20-,21+/m0/s1" ; chebi:inchikey "FPMJOPUHYZGMQU-IZZBFERCSA-N" ; chebi:mass "494.538" ; chebi:monoisotopicmass "494.16353" ; chebi:smiles "C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14567" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103223" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide" . obo:CHEBI_103224 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C32H40N4O4S" ; chebi:inchi "InChI=1S/C32H40N4O4S/c1-32(2,3)41(39)36-21-24-20-26(31(38)35-16-14-34(4)15-17-35)33-30(29(24)27(36)13-18-37)23-10-8-9-22(19-23)25-11-6-7-12-28(25)40-5/h6-12,19-20,27,37H,13-18,21H2,1-5H3/t27-,41-/m1/s1" ; chebi:inchikey "XPPDMEIYHITZLE-KWAZPYRMSA-N" ; chebi:mass "576.752" ; chebi:monoisotopicmass "576.27703" ; chebi:smiles "CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C" ; oboInOwl:hasDbXref "LINCS:LSM-14568" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103224" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone" . obo:CHEBI_103225 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C24H30N2O4" ; chebi:inchi "InChI=1S/C24H30N2O4/c1-15(16-7-5-4-6-8-16)25-23(28)13-18-12-20-19-11-17(26(2)3)9-10-21(19)30-24(20)22(14-27)29-18/h4-11,15,18,20,22,24,27H,12-14H2,1-3H3,(H,25,28)/t15-,18+,20+,22-,24-/m0/s1" ; chebi:inchikey "LSNSUZUVRXFZLV-PSKGUGQPSA-N" ; chebi:mass "410.507" ; chebi:monoisotopicmass "410.22056" ; chebi:smiles "C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14569" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103225" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide" . obo:CHEBI_103226 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F3N3O6" ; chebi:inchi "InChI=1S/C25H28F3N3O6/c1-35-9-8-29-22(33)12-17-11-19-18-10-16(6-7-20(18)37-23(19)21(13-32)36-17)31-24(34)30-15-4-2-14(3-5-15)25(26,27)28/h2-7,10,17,19,21,23,32H,8-9,11-13H2,1H3,(H,29,33)(H2,30,31,34)/t17-,19+,21+,23-/m1/s1" ; chebi:inchikey "JDHDHCLBKAEOSQ-QXPQREGVSA-N" ; chebi:mass "523.502" ; chebi:monoisotopicmass "523.19302" ; chebi:smiles "COCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14570" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103226" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide" . obo:CHEBI_103227 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C21H28N2O5" ; chebi:inchi "InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19+/m1/s1" ; chebi:inchikey "QDYPPDFKKOAHDR-QYZOEREBSA-N" ; chebi:mass "388.458" ; chebi:monoisotopicmass "388.19982" ; chebi:smiles "COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14571" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103227" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide" . obo:CHEBI_103228 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H32FN3O5" ; chebi:inchi "InChI=1S/C26H32FN3O5/c1-16-13-30(25(32)19-6-8-20(27)9-7-19)17(2)15-35-23-11-10-21(28-18(3)31)12-22(23)26(33)29(4)14-24(16)34-5/h6-12,16-17,24H,13-15H2,1-5H3,(H,28,31)/t16-,17+,24+/m0/s1" ; chebi:inchikey "OZIBRDAYFOJMNO-OBWXTZQISA-N" ; chebi:mass "485.549" ; chebi:monoisotopicmass "485.23260" ; chebi:smiles "C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14572" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103228" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7S,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide" . obo:CHEBI_103229 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C21H34N4O4" ; chebi:inchi "InChI=1S/C21H34N4O4/c1-6-9-22-21(27)24-16-7-8-18-17(10-16)20(26)25(4)12-19(28-5)14(2)11-23-15(3)13-29-18/h7-8,10,14-15,19,23H,6,9,11-13H2,1-5H3,(H2,22,24,27)/t14-,15-,19+/m0/s1" ; chebi:inchikey "FSHWRMSUZBSSQF-YZVOILCLSA-N" ; chebi:mass "406.520" ; chebi:monoisotopicmass "406.25801" ; chebi:smiles "CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14573" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103229" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea" . obo:CHEBI_10323 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18280 ; owl:deprecated true . obo:CHEBI_103230 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-9-8-19(11-20(21)23(30)29(3)13-22(15)32-4)28-24(31)27-18-7-5-6-17(25)10-18/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "WJKSFTDVZIMVMK-ZMPRRUGASA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14574" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103230" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-chlorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103231 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33836 ; chebi:charge "0" ; chebi:formula "C30H41N3O4" ; chebi:inchi "InChI=1S/C30H41N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h7-11,14-16,21-22,24,28,34H,4-6,12-13,17-20H2,1-3H3,(H,31,36)/t21-,22+,28-/m0/s1" ; chebi:inchikey "FOMDXHZXOKRLRD-TYPXCFOJSA-N" ; chebi:mass "507.665" ; chebi:monoisotopicmass "507.30971" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14575" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103231" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14575" . obo:CHEBI_103232 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C23H29N3O2" ; chebi:inchi "InChI=1S/C23H29N3O2/c1-16(2)25-23(28)26-20(14-24)22(21(26)15-27)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h10-13,16-17,20-22,27H,3-7,15H2,1-2H3,(H,25,28)/t20-,21+,22-/m0/s1" ; chebi:inchikey "FHQNTJUBGIRGFL-BDTNDASRSA-N" ; chebi:mass "379.496" ; chebi:monoisotopicmass "379.22598" ; chebi:smiles "CC(C)NC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14576" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103232" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide" . obo:CHEBI_103233 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20-,21-,24+,25-/m0/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-DDNPLQQISA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14577" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103233" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14577" . obo:CHEBI_103234 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H26FN3O4" ; chebi:inchi "InChI=1S/C24H26FN3O4/c1-4-5-14-8-11-18-21-20(24(32)26(2)3)17(13-29)19(12-27(18)22(14)30)28(21)23(31)15-6-9-16(25)10-7-15/h4-11,17,19-21,29H,12-13H2,1-3H3/t17-,19-,20+,21+/m0/s1" ; chebi:inchikey "QHTBDTJLVQLHTQ-MJUUVYJYSA-N" ; chebi:mass "439.480" ; chebi:monoisotopicmass "439.19073" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14578" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103234" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14578" . obo:CHEBI_103235 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H33N3O3" ; chebi:inchi "InChI=1S/C27H33N3O3/c1-2-8-19-13-14-23-24-21(16-29(23)27(19)33)22(17-31)25(30(24)15-18-9-6-7-10-18)26(32)28-20-11-4-3-5-12-20/h2-5,8,11-14,18,21-22,24-25,31H,6-7,9-10,15-17H2,1H3,(H,28,32)/t21-,22-,24+,25-/m1/s1" ; chebi:inchikey "QEPNFHJXKIVVNT-YQIMAOPZSA-N" ; chebi:mass "447.570" ; chebi:monoisotopicmass "447.25219" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4CCCC4)C(=O)NC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14579" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103235" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14579" . obo:CHEBI_103236 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H35N3O3" ; chebi:inchi "InChI=1S/C24H35N3O3/c1-3-7-17-10-11-19-22-21(23(29)25-12-4-2)18(15-28)20(14-27(19)24(17)30)26(22)13-16-8-5-6-9-16/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-15H2,1-2H3,(H,25,29)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "GKHQQRXCSHYBEI-YJMBLLCNSA-N" ; chebi:mass "413.554" ; chebi:monoisotopicmass "413.26784" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2CC4CCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14580" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103236" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14580" . obo:CHEBI_103237 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-3-5-14-8-9-17-19-15(11-24(17)22(14)29)16(12-26)20(21(28)23-4-2)25(19)18(27)10-13-6-7-13/h3,5,8-9,13,15-16,19-20,26H,4,6-7,10-12H2,1-2H3,(H,23,28)/t15-,16-,19+,20-/m0/s1" ; chebi:inchikey "HKPODECSJAYGRS-FEHORTKBSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1C(=O)CC4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14581" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103237" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14581" . obo:CHEBI_103238 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F2N4O4" ; chebi:inchi "InChI=1S/C25H28F2N4O4/c1-3-5-14-6-9-19-22-21(23(33)28-10-4-2)16(13-32)20(12-30(19)24(14)34)31(22)25(35)29-18-11-15(26)7-8-17(18)27/h3,5-9,11,16,20-22,32H,4,10,12-13H2,1-2H3,(H,28,33)(H,29,35)/t16-,20-,21+,22+/m0/s1" ; chebi:inchikey "ICXYKFCCQOPFQC-FBEWHJACSA-N" ; chebi:mass "486.512" ; chebi:monoisotopicmass "486.20786" ; chebi:smiles "CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14582" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103238" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14582" . obo:CHEBI_103239 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H26N4O3" ; chebi:inchi "InChI=1S/C22H26N4O3/c1-3-6-14-8-9-17-20-19(21(28)24-11-15-7-4-5-10-23-15)16(13-27)18(25(20)2)12-26(17)22(14)29/h3-10,16,18-20,27H,11-13H2,1-2H3,(H,24,28)/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "DXALFQYFVAIBRG-LMCOJAPRSA-N" ; chebi:mass "394.468" ; chebi:monoisotopicmass "394.20049" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-14583" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103239" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14583" . obo:CHEBI_10324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25036 ; rdfs:subClassOf obo:CHEBI_33853 ; rdfs:subClassOf obo:CHEBI_37581 ; rdfs:subClassOf obo:CHEBI_38163 ; rdfs:subClassOf obo:CHEBI_50307 . _:b1912 rdf:type owl:Restriction . obo:CHEBI_10324 rdfs:subClassOf _:b1912 . _:b1912 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b1913 rdf:type owl:Restriction . obo:CHEBI_10324 rdfs:subClassOf _:b1913 . _:b1913 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35610 . obo:CHEBI_10324 obo:IAO_0000115 "An organic heterotetracyclic compound that is 4'-demethylpodophyllotoxin which is substituted by a hydroxy group at position 10 but which is lacking the hydroxy group at position 9. It is found as a glucoside in the rhizomes of Podophyllum peltatum." ; chebi:charge "0" ; chebi:formula "C21H20O8" ; chebi:inchi "InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1" ; chebi:inchikey "JGGWNGRBXJWAOC-HKJPBSJPSA-N" ; chebi:mass "400.37870" ; chebi:monoisotopicmass "400.11582" ; chebi:smiles "[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3c(O)c1C2" ; oboInOwl:hasDbXref "CAS:568-53-6" ; oboInOwl:hasDbXref "KEGG:C10729" ; oboInOwl:hasDbXref "KNApSAcK:C00002615" ; oboInOwl:hasDbXref "PMID:12991048" ; oboInOwl:hasDbXref "PMID:13233861" ; oboInOwl:hasDbXref "PMID:14380575" ; oboInOwl:hasDbXref "PMID:14774701" ; oboInOwl:hasDbXref "PMID:14774702" ; oboInOwl:hasDbXref "PMID:20270852" ; oboInOwl:hasDbXref "PMID:2836661" ; oboInOwl:hasDbXref "PMID:3430175" ; oboInOwl:hasDbXref "Reaxys:98482" ; oboInOwl:hasExactSynonym "(5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone" ; oboInOwl:hasRelatedSynonym "NCI 1074" ; oboInOwl:hasRelatedSynonym "NSC 24817" ; oboInOwl:hasRelatedSynonym "[5R-(5alpha,5aalpha,5abeta,8aalpha)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one" ; oboInOwl:hasRelatedSynonym "alpha-peltatin A" ; oboInOwl:id "CHEBI:10324" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-peltatin" . _:b1914 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:568-53-6" ; rdfs:label "ChemIDplus" . _:b1915 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:568-53-6" ; rdfs:label "KEGG COMPOUND" . _:b1916 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12991048" ; rdfs:label "Europe PMC" . _:b1917 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:13233861" ; rdfs:label "Europe PMC" . _:b1918 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14380575" ; rdfs:label "Europe PMC" . _:b1919 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14774701" ; rdfs:label "Europe PMC" . _:b1920 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:14774702" ; rdfs:label "Europe PMC" . _:b1921 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20270852" ; rdfs:label "Europe PMC" . _:b1922 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2836661" ; rdfs:label "Europe PMC" . _:b1923 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:3430175" ; rdfs:label "Europe PMC" . _:b1924 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:98482" ; rdfs:label "Reaxys" . _:b1925 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1926 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone" ; oboInOwl:hasDbXref "ChEBI" . _:b1927 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "NCI 1074" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1928 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "NSC 24817" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1929 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[5R-(5alpha,5aalpha,5abeta,8aalpha)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one" ; oboInOwl:hasDbXref "ChEBI" . _:b1930 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10324 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-peltatin A" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103240 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C22H30N2O5" ; chebi:inchi "InChI=1S/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/t16-,18-,19+,20+/m1/s1" ; chebi:inchikey "YYKXHGZVSNLVER-LMCOJAPRSA-N" ; chebi:mass "402.485" ; chebi:monoisotopicmass "402.21547" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14584" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103240" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14584" . obo:CHEBI_103241 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-3-5-14-8-9-17-19-15(11-24(17)22(14)29)16(12-26)20(21(28)23-4-2)25(19)18(27)10-13-6-7-13/h3,5,8-9,13,15-16,19-20,26H,4,6-7,10-12H2,1-2H3,(H,23,28)/t15-,16-,19+,20-/m1/s1" ; chebi:inchikey "HKPODECSJAYGRS-YAJHFMINSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1C(=O)CC4CC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14585" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103241" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14585" . obo:CHEBI_103242 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b1931 rdf:type owl:Restriction . obo:CHEBI_103242 rdfs:subClassOf _:b1931 . _:b1931 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103242 chebi:charge "0" ; chebi:formula "C23H25N3O5" ; chebi:inchi "InChI=1S/C23H25N3O5/c1-2-3-14-5-6-17-21-20(15(11-27)16(25-21)10-26(17)23(14)29)22(28)24-9-13-4-7-18-19(8-13)31-12-30-18/h2-8,15-16,20-21,25,27H,9-12H2,1H3,(H,24,28)/t15-,16-,20+,21+/m0/s1" ; chebi:inchikey "ZLAIHPPUWVVFMW-LVNJIZSUSA-N" ; chebi:mass "423.463" ; chebi:monoisotopicmass "423.17942" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-14586" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103242" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14586" . obo:CHEBI_103243 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C25H28F2N4O4" ; chebi:inchi "InChI=1S/C25H28F2N4O4/c1-3-5-14-6-9-19-22-21(23(33)28-10-4-2)16(13-32)20(12-30(19)24(14)34)31(22)25(35)29-18-11-15(26)7-8-17(18)27/h3,5-9,11,16,20-22,32H,4,10,12-13H2,1-2H3,(H,28,33)(H,29,35)/t16-,20-,21+,22+/m1/s1" ; chebi:inchikey "ICXYKFCCQOPFQC-XXMUNEJQSA-N" ; chebi:mass "486.512" ; chebi:monoisotopicmass "486.20786" ; chebi:smiles "CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14587" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103243" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14587" . obo:CHEBI_103244 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H26N4O3" ; chebi:inchi "InChI=1S/C22H26N4O3/c1-3-6-14-8-9-17-20-19(21(28)24-11-15-7-4-5-10-23-15)16(13-27)18(25(20)2)12-26(17)22(14)29/h3-10,16,18-20,27H,11-13H2,1-2H3,(H,24,28)/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "DXALFQYFVAIBRG-IJXRJRJASA-N" ; chebi:mass "394.468" ; chebi:monoisotopicmass "394.20049" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4" ; oboInOwl:hasDbXref "LINCS:LSM-14588" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103244" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14588" . obo:CHEBI_103245 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H23F3N4O4" ; chebi:inchi "InChI=1S/C23H23F3N4O4/c1-2-4-13-6-7-17-18-15(10-29(17)21(13)33)16(11-31)19(20(32)28-12-23(24,25)26)30(18)22(34)14-5-3-8-27-9-14/h2-9,15-16,18-19,31H,10-12H2,1H3,(H,28,32)/t15-,16-,18+,19-/m0/s1" ; chebi:inchikey "HTNUCZUVQLGPFO-DKKFBQAASA-N" ; chebi:mass "476.449" ; chebi:monoisotopicmass "476.16714" ; 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oboInOwl:id "CHEBI:103288" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14632" . obo:CHEBI_103289 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H23F3N4O4" ; chebi:inchi "InChI=1S/C23H23F3N4O4/c1-2-4-13-6-7-17-18-15(10-29(17)21(13)33)16(11-31)19(20(32)28-12-23(24,25)26)30(18)22(34)14-5-3-8-27-9-14/h2-9,15-16,18-19,31H,10-12H2,1H3,(H,28,32)/t15-,16-,18+,19-/m1/s1" ; chebi:inchikey "HTNUCZUVQLGPFO-ZAWLATJESA-N" ; chebi:mass "476.449" ; chebi:monoisotopicmass "476.16714" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=CN=CC=C4)C(=O)NCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14633" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103289" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14633" . obo:CHEBI_10329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23809 ; rdfs:subClassOf obo:CHEBI_47917 . _:b1935 rdf:type owl:Restriction . obo:CHEBI_10329 rdfs:subClassOf _:b1935 . _:b1935 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_75771 . _:b1936 rdf:type owl:Restriction . obo:CHEBI_10329 rdfs:subClassOf _:b1936 . _:b1936 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76971 . obo:CHEBI_10329 chebi:charge "0" ; chebi:formula "C14H18N2O4" ; chebi:inchi "InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1" ; chebi:inchikey "HLRUKOJSWOKCPP-SYQHCUMBSA-N" ; chebi:mass "278.30380" ; chebi:monoisotopicmass "278.12666" ; chebi:smiles "Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C" ; oboInOwl:hasDbXref "Beilstein:91101" ; oboInOwl:hasDbXref "CAS:132-13-8" ; oboInOwl:hasDbXref "KEGG:C05775" ; oboInOwl:hasExactSynonym "5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole" ; oboInOwl:hasExactSynonym "alpha-Ribazole" ; oboInOwl:hasExactSynonym "alpha-ribazole" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole" ; oboInOwl:id "CHEBI:10329" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-ribazole" . _:b1937 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:91101" ; rdfs:label "Beilstein" . _:b1938 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:132-13-8" ; rdfs:label "ChemIDplus" . _:b1939 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:132-13-8" ; rdfs:label "KEGG COMPOUND" . _:b1940 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1941 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Ribazole" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1942 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-ribazole" ; oboInOwl:hasDbXref "UniProt" . _:b1943 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10329 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103290 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H28N4O3S" ; chebi:inchi "InChI=1S/C23H28N4O3S/c1-2-3-15-6-7-18-20-16(11-26(18)23(15)30)17(13-28)21(22(29)25-10-14-4-5-14)27(20)12-19-24-8-9-31-19/h2-3,6-9,14,16-17,20-21,28H,4-5,10-13H2,1H3,(H,25,29)/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "LDJBNXGTZHCRNA-PZBISTMVSA-N" ; chebi:mass "440.560" ; chebi:monoisotopicmass "440.18821" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14634" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103290" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14634" . obo:CHEBI_103291 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-3-5-17-8-11-20-23-22(24(31)27-13-16-6-9-18(26)10-7-16)19(15-30)21(28(23)12-4-2)14-29(20)25(17)32/h3,5-11,19,21-23,30H,4,12-15H2,1-2H3,(H,27,31)/t19-,21-,22+,23+/m1/s1" ; chebi:inchikey "USKAOISCUCDLDP-LGKPFJOYSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14635" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103291" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14635" . obo:CHEBI_103292 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H28N4O3S" ; chebi:inchi "InChI=1S/C23H28N4O3S/c1-2-3-15-6-7-18-20-16(11-26(18)23(15)30)17(13-28)21(22(29)25-10-14-4-5-14)27(20)12-19-24-8-9-31-19/h2-3,6-9,14,16-17,20-21,28H,4-5,10-13H2,1H3,(H,25,29)/t16-,17-,20+,21-/m1/s1" ; chebi:inchikey "LDJBNXGTZHCRNA-SGLNWRHMSA-N" ; chebi:mass "440.560" ; chebi:monoisotopicmass "440.18821" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14636" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103292" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14636" . obo:CHEBI_103293 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C24H28N2O4" ; chebi:inchi "InChI=1S/C24H28N2O4/c1-3-7-17-10-11-20-21-18(14-26(20)23(17)28)19(15-27)22(24(29)30-2)25(21)13-12-16-8-5-4-6-9-16/h3-11,18-19,21-22,27H,12-15H2,1-2H3/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "BOAJGZQCXTZFHN-KRXUUXHPSA-N" ; chebi:mass "408.491" ; chebi:monoisotopicmass "408.20491" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC4=CC=CC=C4)C(=O)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14637" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103293" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14637" . obo:CHEBI_103294 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c1-3-7-17-10-11-19-22-21(23(30)25-12-16-8-5-4-6-9-16)18(14-28)20(27(22)15(2)29)13-26(19)24(17)31/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-14H2,1-2H3,(H,25,30)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "NJGAJUNFGSSUAO-YJMBLLCNSA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14638" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103294" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14638" . obo:CHEBI_103295 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19-,21-,22+,23+/m1/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-OYOAKMGBSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@H](C)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14639" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103295" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14639" . obo:CHEBI_103296 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C20H26F3N3O3" ; chebi:inchi "InChI=1S/C20H26F3N3O3/c1-4-5-12-6-7-15-16-13(10-26(15)18(12)28)14(11-27)17(19(29)24(2)3)25(16)9-8-20(21,22)23/h4-7,13-14,16-17,27H,8-11H2,1-3H3/t13-,14-,16+,17-/m1/s1" ; chebi:inchikey "VAVDPECDKRRSEN-TXCZRRACSA-N" ; chebi:mass "413.435" ; chebi:monoisotopicmass "413.19263" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC(F)(F)F)C(=O)N(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14640" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103296" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14640" . obo:CHEBI_103297 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-4-7-17-8-9-20-21-18(14-29(20)24(17)33)19(15-31)22(30(21)25(34)27-16(2)3)23(32)26-10-13-28-11-5-6-12-28/h4,7-9,16,18-19,21-22,31H,5-6,10-15H2,1-3H3,(H,26,32)(H,27,34)/t18-,19-,21+,22-/m1/s1" ; chebi:inchikey "PNJNHSHUQBINAQ-KRXUUXHPSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14641" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103297" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14641" . obo:CHEBI_103298 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H29N5O5S" ; chebi:inchi "InChI=1S/C23H29N5O5S/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/t16-,18-,20+,21+/m0/s1" ; chebi:inchikey "FBXKHEMXYYDERF-XIGKFDRGSA-N" ; chebi:mass "487.574" ; chebi:monoisotopicmass "487.18894" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14642" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103298" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14642" . obo:CHEBI_103299 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19-,21-,22+,23+/m0/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-JWPNJBJBSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14643" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103299" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14643" . obo:CHEBI_1033 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16993 ; owl:deprecated true . obo:CHEBI_10330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22912 ; rdfs:subClassOf obo:CHEBI_33911 ; chebi:charge "0" ; chebi:formula "C15H24O" ; chebi:inchi "InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11-,12?,13?,14-,15+/m1/s1" ; chebi:inchikey "PDEQKAVEYSOLJX-BKKZDLJQSA-N" ; chebi:mass "220.35046" ; chebi:monoisotopicmass "220.18272" ; chebi:smiles "[H][C@]12CC3C(C1)[C@]3(C)[C@]2(C)CC\\C=C(\\C)CO" ; oboInOwl:hasDbXref "CAS:115-71-9" ; oboInOwl:hasDbXref "KEGG:C09719" ; oboInOwl:hasDbXref "KNApSAcK:C00003182" ; oboInOwl:hasExactSynonym "(2Z)-5-[(2R,3R,4S)-2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl]-2-methylpent-2-en-1-ol" ; oboInOwl:hasExactSynonym "alpha-Santalol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-alpha-Santalol" ; oboInOwl:hasRelatedSynonym "(Z)-alpha-Santalol" ; oboInOwl:hasRelatedSynonym "Sandal" ; oboInOwl:hasRelatedSynonym "Santalol A" ; oboInOwl:hasRelatedSynonym "[R(Z)]-5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-2-penten-1-ol" ; oboInOwl:hasRelatedSynonym "cis-alpha-Santalol" ; oboInOwl:hasRelatedSynonym "d-alpha-Santalol" ; oboInOwl:id "CHEBI:10330" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-santalol" . _:b1944 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:115-71-9" ; rdfs:label "ChemIDplus" . _:b1945 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:115-71-9" ; rdfs:label "KEGG COMPOUND" . _:b1946 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:115-71-9" ; rdfs:label "NIST Chemistry WebBook" . _:b1947 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(2Z)-5-[(2R,3R,4S)-2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl]-2-methylpent-2-en-1-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1948 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Santalol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1949 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-alpha-Santalol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1950 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(Z)-alpha-Santalol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1951 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Sandal" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1952 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Santalol A" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1953 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "[R(Z)]-5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-2-penten-1-ol" ; oboInOwl:hasDbXref "NIST_Chemistry_WebBook" . _:b1954 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cis-alpha-Santalol" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1955 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10330 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "d-alpha-Santalol" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103300 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C27H33N3O4" ; chebi:inchi "InChI=1S/C27H33N3O4/c1-3-6-18-11-12-21-25-24(26(32)28-13-17-9-10-17)20(16-31)22(15-30(21)27(18)33)29(25)14-19-7-4-5-8-23(19)34-2/h3-8,11-12,17,20,22,24-25,31H,9-10,13-16H2,1-2H3,(H,28,32)/t20-,22-,24+,25+/m0/s1" ; chebi:inchikey "HTMWEZISYHEYGX-MMTHZHQFSA-N" ; chebi:mass "463.570" ; chebi:monoisotopicmass "463.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5" ; oboInOwl:hasDbXref "LINCS:LSM-14644" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103300" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14644" . obo:CHEBI_103301 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-4-8-17-11-12-21-24-23(25(34)29-13-7-14-30(2)3)19(16-33)22(15-31(21)26(17)35)32(24)27(36)18-9-5-6-10-20(18)28/h4-6,8-12,19,22-24,33H,7,13-16H2,1-3H3,(H,29,34)/t19-,22-,23+,24+/m1/s1" ; chebi:inchikey "ZXRDMZYXGOPOHF-JFTIXFDTSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14645" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103301" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14645" . obo:CHEBI_103302 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C26H32N4O3" ; chebi:inchi "InChI=1S/C26H32N4O3/c1-2-8-18-10-11-21-24-23(26(33)28-13-6-3-7-14-28)20(17-31)22(16-30(21)25(18)32)29(24)15-19-9-4-5-12-27-19/h2,4-5,8-12,20,22-24,31H,3,6-7,13-17H2,1H3/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "ARIBYWLZPORNAU-AZOUXBGGSA-N" ; chebi:mass "448.558" ; chebi:monoisotopicmass "448.24744" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=CC=CC=N4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14646" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103302" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14646" . obo:CHEBI_103303 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-8-18-11-12-20-23-22(25(31)26(2)3)19(16-29)21(15-28(20)24(18)30)27(23)14-13-17-9-6-5-7-10-17/h4-12,19,21-23,29H,13-16H2,1-3H3/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "IMLNKYQDLHUNSC-KZKAQZJJSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14647" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103303" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14647" . obo:CHEBI_103304 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H33N3O4" ; chebi:inchi "InChI=1S/C24H33N3O4/c1-3-7-17-10-11-19-22-21(23(30)25-12-16-8-5-4-6-9-16)18(14-28)20(27(22)15(2)29)13-26(19)24(17)31/h3,7,10-11,16,18,20-22,28H,4-6,8-9,12-14H2,1-2H3,(H,25,30)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "NJGAJUNFGSSUAO-VXSCBNMQSA-N" ; chebi:mass "427.537" ; chebi:monoisotopicmass "427.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-14648" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103304" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14648" . obo:CHEBI_103305 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-4-8-17-11-12-21-24-23(25(34)29-13-7-14-30(2)3)19(16-33)22(15-31(21)26(17)35)32(24)27(36)18-9-5-6-10-20(18)28/h4-6,8-12,19,22-24,33H,7,13-16H2,1-3H3,(H,29,34)/t19-,22-,23+,24+/m0/s1" ; chebi:inchikey "ZXRDMZYXGOPOHF-ZMUKGBGYSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14649" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103305" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14649" . obo:CHEBI_103306 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H26ClN3O5S" ; chebi:inchi "InChI=1S/C23H26ClN3O5S/c1-3-6-14-9-10-19-20-16(12-26(19)23(14)30)17(13-28)21(27(20)33(2,31)32)22(29)25-11-15-7-4-5-8-18(15)24/h3-10,16-17,20-21,28H,11-13H2,1-2H3,(H,25,29)/t16-,17-,20+,21-/m0/s1" ; chebi:inchikey "GLXDGGACPBJUPS-PZBISTMVSA-N" ; chebi:mass "491.990" ; chebi:monoisotopicmass "491.12817" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3S(=O)(=O)C)C(=O)NCC4=CC=CC=C4Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14650" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103306" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14650" . obo:CHEBI_103307 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C25H37N5O4" ; chebi:inchi "InChI=1S/C25H37N5O4/c1-4-7-17-8-9-20-21-18(14-29(20)24(17)33)19(15-31)22(30(21)25(34)27-16(2)3)23(32)26-10-13-28-11-5-6-12-28/h4,7-9,16,18-19,21-22,31H,5-6,10-15H2,1-3H3,(H,26,32)(H,27,34)/t18-,19-,21+,22-/m0/s1" ; chebi:inchikey "PNJNHSHUQBINAQ-MPJJRAAHSA-N" ; chebi:mass "471.593" ; chebi:monoisotopicmass "471.28455" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14651" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103307" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14651" . obo:CHEBI_103308 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "GMFBTTQFVVUQAX-YJMBLLCNSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14652" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103308" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14652" . obo:CHEBI_103309 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-2-7-16-10-11-19-22-21(25(32)26-12-4-3-5-13-26)18(15-29)20(14-27(19)23(16)30)28(22)24(31)17-8-6-9-17/h2,7,10-11,17-18,20-22,29H,3-6,8-9,12-15H2,1H3/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "RGMNVADEAWNQHQ-VXSCBNMQSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14653" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103309" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14653" . obo:CHEBI_10331 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16363 ; owl:deprecated true . obo:CHEBI_103310 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-18-10-11-21-24-23(20(16-30)22(28(24)4-2)15-29(21)25(18)31)26(32)27-13-12-17-8-5-6-9-19(17)14-27/h3,5-11,20,22-24,30H,4,12-16H2,1-2H3/t20-,22-,23+,24+/m0/s1" ; chebi:inchikey "SCCGZMIGIRUPAJ-IQFVJIFQSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-14654" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103310" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14654" . obo:CHEBI_103311 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48591 ; chebi:charge "0" ; chebi:formula "C25H33N3O4" ; chebi:inchi "InChI=1S/C25H33N3O4/c1-2-7-16-10-11-19-22-21(25(32)26-12-4-3-5-13-26)18(15-29)20(14-27(19)23(16)30)28(22)24(31)17-8-6-9-17/h2,7,10-11,17-18,20-22,29H,3-6,8-9,12-15H2,1H3/t18-,20-,21+,22+/m1/s1" ; chebi:inchikey "RGMNVADEAWNQHQ-YJMBLLCNSA-N" ; chebi:mass "439.548" ; chebi:monoisotopicmass "439.24711" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14655" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103311" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14655" . obo:CHEBI_103312 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-8-18-11-12-20-23-22(25(31)26(2)3)19(16-29)21(15-28(20)24(18)30)27(23)14-13-17-9-6-5-7-10-17/h4-12,19,21-23,29H,13-16H2,1-3H3/t19-,21-,22+,23+/m1/s1" ; 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oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14657" . obo:CHEBI_103314 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H35N3O3" ; chebi:inchi "InChI=1S/C28H35N3O3/c1-3-7-21-10-11-24-25-22(17-31(24)27(21)33)23(18-32)26(29(25)2)28(34)30-14-12-20(13-15-30)16-19-8-5-4-6-9-19/h3-11,20,22-23,25-26,32H,12-18H2,1-2H3/t22-,23-,25+,26-/m0/s1" ; chebi:inchikey "NDQSGMPNQQNYJD-LJCOXQHRSA-N" ; chebi:mass "461.597" ; chebi:monoisotopicmass "461.26784" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14658" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103314" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14658" . obo:CHEBI_103315 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C28H35N3O3" ; chebi:inchi "InChI=1S/C28H35N3O3/c1-3-7-21-10-11-24-25-22(17-31(24)27(21)33)23(18-32)26(29(25)2)28(34)30-14-12-20(13-15-30)16-19-8-5-4-6-9-19/h3-11,20,22-23,25-26,32H,12-18H2,1-2H3/t22-,23-,25+,26-/m1/s1" ; chebi:inchikey "NDQSGMPNQQNYJD-VHCQPULKSA-N" ; chebi:mass "461.597" ; chebi:monoisotopicmass "461.26784" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14659" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103315" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14659" . obo:CHEBI_103316 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C26H31N3O3" ; chebi:inchi "InChI=1S/C26H31N3O3/c1-3-7-18-10-11-21-24-23(20(16-30)22(28(24)4-2)15-29(21)25(18)31)26(32)27-13-12-17-8-5-6-9-19(17)14-27/h3,5-11,20,22-24,30H,4,12-16H2,1-2H3/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "SCCGZMIGIRUPAJ-AZOUXBGGSA-N" ; chebi:mass "433.544" ; chebi:monoisotopicmass "433.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-14660" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103316" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14660" . obo:CHEBI_103317 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H30FN3O3" ; chebi:inchi "InChI=1S/C25H30FN3O3/c1-3-5-17-8-11-20-23-22(24(31)27-13-16-6-9-18(26)10-7-16)19(15-30)21(28(23)12-4-2)14-29(20)25(17)32/h3,5-11,19,21-23,30H,4,12-15H2,1-2H3,(H,27,31)/t19-,21-,22+,23+/m0/s1" ; chebi:inchikey "USKAOISCUCDLDP-KZKAQZJJSA-N" ; chebi:mass "439.523" ; chebi:monoisotopicmass "439.22712" ; chebi:smiles "CCCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4=CC=C(C=C4)F" ; oboInOwl:hasDbXref "LINCS:LSM-14661" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103317" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14661" . obo:CHEBI_103318 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H29F3N4O3" ; chebi:inchi "InChI=1S/C25H29F3N4O3/c1-2-3-17-4-5-19-22-21(23(34)30-12-8-16-6-10-29-11-7-16)18(15-33)20(14-32(19)24(17)35)31(22)13-9-25(26,27)28/h2-7,10-11,18,20-22,33H,8-9,12-15H2,1H3,(H,30,34)/t18-,20-,21+,22+/m0/s1" ; chebi:inchikey "GMFBTTQFVVUQAX-VXSCBNMQSA-N" ; chebi:mass "490.519" ; chebi:monoisotopicmass "490.21918" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14662" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103318" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14662" . obo:CHEBI_103319 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C23H27N3O4" ; chebi:inchi "InChI=1S/C23H27N3O4/c1-3-5-15-8-9-19-20-17(12-26(19)23(15)29)18(13-27)21(25-20)22(28)24-11-14-6-4-7-16(10-14)30-2/h3-10,17-18,20-21,25,27H,11-13H2,1-2H3,(H,24,28)/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "NWTIRCSUWOGELC-MMKMLUHNSA-N" ; chebi:mass "409.479" ; chebi:monoisotopicmass "409.20016" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3)C(=O)NCC4=CC(=CC=C4)OC)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14663" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103319" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14663" . obo:CHEBI_10332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+" ; chebi:inchikey "PFSTYGCNVAVZBK-JQGMZEBDSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C\\C(CC\\C=C(/C)C=O)=C/C\\C=C(/C)C=C" ; oboInOwl:hasDbXref "CAS:17909-77-2" ; oboInOwl:hasDbXref "KEGG:C09729" ; oboInOwl:hasDbXref "KNApSAcK:C00003188" ; oboInOwl:hasExactSynonym "alpha-Sinensal" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Sinensal" . _:b1956 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10332 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:17909-77-2" ; rdfs:label "KEGG COMPOUND" . _:b1957 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10332 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Sinensal" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103320 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C27H28FN5O3" ; chebi:inchi "InChI=1S/C27H28FN5O3/c1-2-3-19-6-9-23-24-21(14-32(23)27(19)36)22(15-34)25(33(24)13-18-10-29-16-30-11-18)26(35)31-12-17-4-7-20(28)8-5-17/h2-11,16,21-22,24-25,34H,12-15H2,1H3,(H,31,35)/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "LGAKJZSEUNBQTH-HFOXQMJASA-N" ; chebi:mass "489.542" ; chebi:monoisotopicmass "489.21762" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14664" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103320" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14664" . obo:CHEBI_103321 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C23H25F2N3O5S" ; chebi:inchi "InChI=1S/C23H25F2N3O5S/c1-3-4-14-5-6-18-21-20(22(30)26-10-13-7-15(24)9-16(25)8-13)17(12-29)19(11-27(18)23(14)31)28(21)34(2,32)33/h3-9,17,19-21,29H,10-12H2,1-2H3,(H,26,30)/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "GJMSSMVDMJSJLU-PBASOCQRSA-N" ; chebi:mass "493.525" ; chebi:monoisotopicmass "493.14830" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C)CN2C1=O)CO)C(=O)NCC4=CC(=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14665" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103321" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14665" . obo:CHEBI_103322 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H31N3O4" ; chebi:inchi "InChI=1S/C28H31N3O4/c1-2-5-18-10-11-23-24-21(15-30(23)26(18)33)22(16-32)25(31(24)27(34)19-8-9-19)28(35)29-13-12-17-6-3-4-7-20(17)14-29/h2-7,10-11,19,21-22,24-25,32H,8-9,12-16H2,1H3/t21-,22-,24+,25-/m0/s1" ; chebi:inchikey "KWDFMNKBUPRJCJ-HFOXQMJASA-N" ; chebi:mass "473.564" ; chebi:monoisotopicmass "473.23146" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4CC4)C(=O)N5CCC6=CC=CC=C6C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14666" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103322" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14666" . obo:CHEBI_103323 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C28H29N5O4" ; chebi:inchi "InChI=1S/C28H29N5O4/c1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/t17-,20+,21+,24-,25+/m1/s1" ; chebi:inchikey "GAGDVGIWPFJCDU-SBFQEZKYSA-N" ; chebi:mass "499.562" ; chebi:monoisotopicmass "499.22195" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@H](C)C5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14667" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103323" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14667" . obo:CHEBI_103324 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C25H31N3O3" ; chebi:inchi "InChI=1S/C25H31N3O3/c1-4-9-18-12-13-20-23-22(24(30)26-16(3)17-10-7-6-8-11-17)19(15-29)21(27(23)5-2)14-28(20)25(18)31/h4,6-13,16,19,21-23,29H,5,14-15H2,1-3H3,(H,26,30)/t16-,19+,21+,22-,23-/m0/s1" ; chebi:inchikey "ZMVMPHHWVOTKTD-PFDGEDQDSA-N" ; chebi:mass "421.533" ; chebi:monoisotopicmass "421.23654" ; chebi:smiles "CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14668" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103324" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14668" . obo:CHEBI_103325 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C24H26FN3O4" ; chebi:inchi "InChI=1S/C24H26FN3O4/c1-4-5-14-8-11-18-21-20(24(32)26(2)3)17(13-29)19(12-27(18)22(14)30)28(21)23(31)15-6-9-16(25)10-7-15/h4-11,17,19-21,29H,12-13H2,1-3H3/t17-,19-,20+,21+/m1/s1" ; chebi:inchikey "QHTBDTJLVQLHTQ-PBASOCQRSA-N" ; chebi:mass "439.480" ; chebi:monoisotopicmass "439.19073" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14669" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103325" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14669" . obo:CHEBI_103326 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C24H31N5O4" ; chebi:inchi "InChI=1S/C24H31N5O4/c1-4-6-15-7-8-18-22-21(23(32)25-10-9-16-11-27(3)14-26-16)17(13-30)19(12-28(18)24(15)33)29(22)20(31)5-2/h4,6-8,11,14,17,19,21-22,30H,5,9-10,12-13H2,1-3H3,(H,25,32)/t17-,19-,21+,22+/m0/s1" ; chebi:inchikey "VOGACUDSELLWLB-HVJHZFLKSA-N" ; chebi:mass "453.535" ; chebi:monoisotopicmass "453.23760" ; chebi:smiles "CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC4=CN(C=N4)C" ; oboInOwl:hasDbXref "LINCS:LSM-14670" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103326" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14670" . obo:CHEBI_103327 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C22H28N4O4S" ; chebi:inchi "InChI=1S/C22H28N4O4S/c1-3-4-14-5-6-16-20-19(21(28)24-7-9-30-2)15(13-27)17(11-26(16)22(14)29)25(20)12-18-23-8-10-31-18/h3-6,8,10,15,17,19-20,27H,7,9,11-13H2,1-2H3,(H,24,28)/t15-,17-,19+,20+/m1/s1" ; chebi:inchikey "YAZSZKUPWYSKIW-BEKAIBRUSA-N" ; chebi:mass "444.549" ; chebi:monoisotopicmass "444.18313" ; chebi:smiles "CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC" ; oboInOwl:hasDbXref "LINCS:LSM-14671" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103327" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14671" . obo:CHEBI_103328 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H28ClN3O3" ; chebi:inchi "InChI=1S/C24H28ClN3O3/c1-3-7-15-10-11-20-21-17(13-27(20)24(15)31)18(14-29)22(23(30)26-4-2)28(21)12-16-8-5-6-9-19(16)25/h3,5-11,17-18,21-22,29H,4,12-14H2,1-2H3,(H,26,30)/t17-,18-,21+,22-/m1/s1" ; chebi:inchikey "FRGNTWRPDAOXEK-RPHTVSPISA-N" ; chebi:mass "441.951" ; chebi:monoisotopicmass "441.18192" ; chebi:smiles "CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=CC=CC=C4Cl)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14672" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103328" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14672" . obo:CHEBI_103329 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33575 ; rdfs:subClassOf obo:CHEBI_46767 ; chebi:charge "0" ; chebi:formula "C22H30N2O5" ; chebi:inchi "InChI=1S/C22H30N2O5/c1-3-4-15-5-6-17-20-19(22(27)28-2)16(13-25)18(12-24(17)21(15)26)23(20)11-14-7-9-29-10-8-14/h3-6,14,16,18-20,25H,7-13H2,1-2H3/t16-,18-,19+,20+/m0/s1" ; chebi:inchikey "YYKXHGZVSNLVER-IJXRJRJASA-N" ; chebi:mass "402.485" ; chebi:monoisotopicmass "402.21547" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14673" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103329" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14673" . obo:CHEBI_10333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35341 . _:b1958 rdf:type owl:Restriction . obo:CHEBI_10333 rdfs:subClassOf _:b1958 . _:b1958 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_26773 . obo:CHEBI_10333 chebi:charge "0" ; chebi:formula "C29H48O" ; chebi:inchi "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1" ; chebi:inchikey "JZVFJDZBLUFKCA-FXIAWGAOSA-N" ; chebi:mass "412.692" ; chebi:monoisotopicmass "412.37052" ; chebi:smiles "CC[C@@H](C(C)C)\\C=C\\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C" ; oboInOwl:hasDbXref "CAS:481-18-5" ; oboInOwl:hasDbXref "KEGG:C08840" ; oboInOwl:hasDbXref "KNApSAcK:C00003673" ; oboInOwl:hasExactSynonym "alpha-Spinasterol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Spinasterol" ; oboInOwl:id "CHEBI:10333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Spinasterol" . _:b1959 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10333 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:481-18-5" ; rdfs:label "KEGG COMPOUND" . _:b1960 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10333 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Spinasterol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1961 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10333 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Spinasterol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103330 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H21FN2O6S" ; chebi:inchi "InChI=1S/C21H21FN2O6S/c1-2-5-12-8-9-15-19-18(21(27)28)13(11-25)16(10-23(15)20(12)26)24(19)31(29,30)17-7-4-3-6-14(17)22/h2-9,13,16,18-19,25H,10-11H2,1H3,(H,27,28)/t13-,16-,18+,19+/m0/s1" ; chebi:inchikey "YSPVRUAWSOLRRU-PTKHLAPESA-N" ; chebi:mass "448.467" ; chebi:monoisotopicmass "448.11044" ; chebi:smiles "CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-14674" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103330" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14674" . obo:CHEBI_103331 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-MTPWMDRRSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14675" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103331" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103332 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22-,23+,27-/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-TZKYFUQOSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14676" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103332" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103333 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-UBRKHCEVSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14677" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103333" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-KYFCECMNSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14678" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103334" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-FYBXHKAZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14679" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103335" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103336 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-XDMKPEOCSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14680" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103336" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103337 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-QILISPFLSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14681" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103337" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103338 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-LDIMMVFUSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14682" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103338" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-SODQHWRNSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14683" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10334 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35187 . _:b1962 rdf:type owl:Restriction . obo:CHEBI_10334 rdfs:subClassOf _:b1962 . _:b1962 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_27311 . _:b1963 rdf:type owl:Restriction . obo:CHEBI_10334 rdfs:subClassOf _:b1963 . _:b1963 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10334 obo:IAO_0000115 "One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton." ; chebi:charge "0" ; chebi:formula "C10H16" ; chebi:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3" ; chebi:inchikey "YHQGMYUVUMAZJR-UHFFFAOYSA-N" ; chebi:mass "136.23404" ; chebi:monoisotopicmass "136.12520" ; chebi:smiles "CC(C)C1=CC=C(C)CC1" ; oboInOwl:hasDbXref "BPDB:2014" ; oboInOwl:hasDbXref "Beilstein:1853379" ; oboInOwl:hasDbXref "CAS:99-86-5" ; oboInOwl:hasDbXref "HMDB:HMDB0036995" ; oboInOwl:hasDbXref "KEGG:C09898" ; oboInOwl:hasDbXref "KNApSAcK:C00003060" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR0102090026" ; oboInOwl:hasDbXref "PMID:15621337" ; oboInOwl:hasDbXref "PMID:16780354" ; oboInOwl:hasDbXref "PMID:20387784" ; oboInOwl:hasDbXref "PMID:22164802" ; oboInOwl:hasDbXref "PMID:23833899" ; oboInOwl:hasDbXref "PMID:24020201" ; oboInOwl:hasDbXref "PMID:8655097" ; oboInOwl:hasDbXref "Patent:WO2010099985" ; oboInOwl:hasDbXref "Reaxys:1853379" ; oboInOwl:hasDbXref "Wikipedia:Terpinene" ; oboInOwl:hasExactSynonym "1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene" ; oboInOwl:hasExactSynonym "alpha-Terpinene" ; oboInOwl:hasExactSynonym "alpha-terpinene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene" ; oboInOwl:hasRelatedSynonym "1-isopropyl-4-methyl-1,3-cyclohexadiene" ; oboInOwl:hasRelatedSynonym "Terpilene" ; oboInOwl:hasRelatedSynonym "p-Mentha-1,3-diene" ; oboInOwl:id "CHEBI:10334" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "alpha-terpinene" . _:b1964 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1853379" ; rdfs:label "Beilstein" . _:b1965 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:99-86-5" ; rdfs:label "ChemIDplus" . _:b1966 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:99-86-5" ; rdfs:label "KEGG COMPOUND" . _:b1967 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR0102090026" ; rdfs:label "LIPID MAPS" . _:b1968 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15621337" ; rdfs:label "Europe PMC" . _:b1969 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16780354" ; rdfs:label "Europe PMC" . _:b1970 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20387784" ; rdfs:label "Europe PMC" . _:b1971 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22164802" ; rdfs:label "Europe PMC" . _:b1972 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:23833899" ; rdfs:label "Europe PMC" . _:b1973 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24020201" ; rdfs:label "Europe PMC" . _:b1974 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8655097" ; rdfs:label "Europe PMC" . _:b1975 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1853379" ; rdfs:label "Reaxys" . _:b1976 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1977 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Terpinene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1978 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-terpinene" ; oboInOwl:hasDbXref "UniProt" . _:b1979 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1980 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "1-isopropyl-4-methyl-1,3-cyclohexadiene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1981 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Terpilene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1982 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10334 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "p-Mentha-1,3-diene" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103340 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C35H42N4O5" ; chebi:inchi "InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24-,31+/m1/s1" ; chebi:inchikey "GHOSBDATJBJZOG-GQIGMWPISA-N" ; chebi:mass "598.733" ; chebi:monoisotopicmass "598.31552" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14684" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103340" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14684" . obo:CHEBI_103341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23-,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-DVAKJLRASA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14685" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103342 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29+/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-FSDPBTBWSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14686" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103342" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103343 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C23H23F2N3O6" ; chebi:inchi "InChI=1S/C23H23F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-8,15,17,21,29H,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21+/m1/s1" ; chebi:inchikey "VZUMNNKKGVSTKF-KUDFPVQQSA-N" ; chebi:mass "475.443" ; chebi:monoisotopicmass "475.15549" ; chebi:smiles "C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14687" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103343" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3S,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide" . obo:CHEBI_103344 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-RZDWVWPCSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14688" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103344" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103345 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-CQAGSAPUSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14689" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103345" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103346 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-FYBXHKAZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14690" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103346" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103347 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-GBRARVNLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14691" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103347" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103348 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-JIXXDEQJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14692" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103348" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103349 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-NAZDKBRTSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14693" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103349" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10335 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50077 ; chebi:charge "0" ; chebi:formula "C12H8S3" ; chebi:inchi "InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H" ; chebi:inchikey "KXSFECAJUBPPFE-UHFFFAOYSA-N" ; chebi:mass "248.38992" ; chebi:monoisotopicmass "247.97881" ; chebi:smiles "c1csc(c1)-c1ccc(s1)-c1cccs1" ; oboInOwl:hasDbXref "Beilstein:178604" ; oboInOwl:hasDbXref "Beilstein:8392779" ; oboInOwl:hasDbXref "CAS:1081-34-1" ; oboInOwl:hasDbXref "KEGG:C08460" ; oboInOwl:hasDbXref "KNApSAcK:C00001294" ; oboInOwl:hasExactSynonym "2,2':5',2''-terthiophene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2,2',5',2''-terthienyl" ; oboInOwl:hasRelatedSynonym "Terthiophene" ; oboInOwl:hasRelatedSynonym "alpha-Terthienyl" ; oboInOwl:hasRelatedSynonym "alpha-terthiophene" ; oboInOwl:id "CHEBI:10335" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "2,2':5',2''-terthiophene" . _:b1983 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:178604" ; rdfs:label "Beilstein" . _:b1984 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:8392779" ; rdfs:label "Beilstein" . _:b1985 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1081-34-1" ; rdfs:label "ChemIDplus" . _:b1986 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1081-34-1" ; rdfs:label "KEGG COMPOUND" . _:b1987 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2,2':5',2''-terthiophene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b1988 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2,2',5',2''-terthienyl" ; oboInOwl:hasDbXref "ChemIDplus" . _:b1989 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Terthiophene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1990 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-Terthienyl" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b1991 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10335 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "alpha-terthiophene" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103350 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H36N2O6S" ; chebi:inchi "InChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22+,29-/m1/s1" ; chebi:inchikey "GTRXSASKUSVSHJ-UETOGOEVSA-N" ; chebi:mass "552.684" ; chebi:monoisotopicmass "552.22941" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14694" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103350" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14694" . obo:CHEBI_103351 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-XZSHTLEFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14695" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103351" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-OYSWMMLKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14696" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103352" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-WRZBRUQPSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14697" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103353" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103354 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-ZXPXOXBPSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14698" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103354" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103355 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-SMTRIPRVSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14699" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103355" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103356 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-FIXDAVPBSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14700" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103356" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-HYHRRZRMSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14701" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103357" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103358 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-YGWSKSRPSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14702" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103358" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29-/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-MNGFJMBLSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14703" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103359" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10336 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18145 ; owl:deprecated true . obo:CHEBI_103360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-KIAQLKRMSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14704" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103360" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-MBWUYLOXSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14705" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-INVAMZEASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14706" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103362" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZRIOWSNCSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14707" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103363" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-AVJFOWIRSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14708" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-UXGLMHHASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14709" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103365" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23+,27-/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-MTPWMDRRSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14710" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103366" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103367 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-IMIIHFCZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14711" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103367" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-UJFVLINRSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14712" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103368" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103369 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-CMCWBKRRSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14713" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103369" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-INVAMZEASA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14714" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103371 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-ZGQJUUMOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14715" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103371" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103372 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-YSRRZRNESA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14716" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103372" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103373 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-BILGYAHESA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14717" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103373" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103374 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-RPQPUBLWSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14718" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103374" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103375 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-DUXAABNJSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14719" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103375" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103376 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CHCBTGSZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14720" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103376" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103377 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-RPQPUBLWSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14721" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103377" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103378 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-FVCFNFBRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14722" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103378" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103379 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-YGWSKSRPSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14723" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103379" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103380 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-UXGLMHHASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14724" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103380" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103381 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-JIXXDEQJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14725" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103381" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103382 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-QDMVCWPOSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14726" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103382" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103383 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31+/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-WJQRCLFPSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14727" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103383" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103384 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-AVJFOWIRSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14728" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103384" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103385 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GRSOWLQASA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14729" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103385" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103386 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-YDXRHMNESA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14730" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103386" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103387 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-XJVVAVADSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14731" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103387" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103388 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-ZUVQJFRASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14732" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103388" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103389 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-IDCDSMMUSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14733" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103389" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_10339 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H22O" ; chebi:inchi "InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1" ; chebi:inchikey "NIIPDXITZPFFTE-ABAIWWIYSA-N" ; chebi:mass "218.335" ; chebi:monoisotopicmass "218.16707" ; chebi:smiles "C[C@@H]1CC(=O)C=C2CCC(C[C@@]12C)=C(C)C" ; oboInOwl:hasDbXref "CAS:15764-04-2" ; oboInOwl:hasDbXref "KEGG:C09744" ; oboInOwl:hasDbXref "KNApSAcK:C00003198" ; oboInOwl:hasExactSynonym "alpha-Vetivone" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10339" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Vetivone" . _:b1992 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10339 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:15764-04-2" ; rdfs:label "KEGG COMPOUND" . _:b1993 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10339 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Vetivone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103390 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-PXFJVXAFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14734" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103390" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103391 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-QILISPFLSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14735" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103391" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103392 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-VUKRRIEASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14736" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103392" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-NBOGMJGSSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14737" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103394 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-XPZOENDESA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14738" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103394" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103395 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-GBRARVNLSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14739" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103395" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103396 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-XTGAJNFRSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14740" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103396" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103397 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27+/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IDIXZGLXSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14741" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103397" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103398 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-YDXRHMNESA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14742" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103398" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103399 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-XHOYROJHSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14743" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103399" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_1034 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17077 ; owl:deprecated true . obo:CHEBI_103400 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-FYBXHKAZSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14744" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103400" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103401 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-PIXQIBFHSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14745" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103401" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103402 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-VWEIPLKFSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14746" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103402" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103403 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-AIFLQVKLSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14747" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103403" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103404 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZQIPMTRKSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14748" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103404" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103405 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-YCFYUYSTSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14749" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103405" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103406 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-APSVEGKFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14750" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103406" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103407 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZASNTINBSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14751" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103407" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103408 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24+,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-OODISRMCSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14752" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103408" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103409 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-MSZDEVHKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14753" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103409" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10341 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26658 ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14?,15-/m0/s1" ; chebi:inchikey "VLXDPFLIRFYIME-MWHZVNNOSA-N" ; chebi:mass "204.352" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC(C)C1CC[C@@]2(C)C3CC=C(C)C2C13" ; oboInOwl:hasDbXref "CAS:14912-44-8" ; oboInOwl:hasDbXref "KEGG:C09749" ; oboInOwl:hasDbXref "KNApSAcK:C00003203" ; oboInOwl:hasExactSynonym "alpha-Ylangene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10341" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "alpha-Ylangene" . _:b1994 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10341 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:14912-44-8" ; rdfs:label "KEGG COMPOUND" . _:b1995 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10341 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "alpha-Ylangene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103410 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-ZQIYOYMASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14754" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103410" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103411 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZRIOWSNCSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14755" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103411" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103412 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-FJRSXGRASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14756" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103412" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103413 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-ANKKVJNISA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14757" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103413" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103414 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23-,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-RNLGNXJRSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14758" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103414" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103415 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-RZDWVWPCSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14759" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103415" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103416 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-FVCFNFBRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14760" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103416" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103417 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-YDXRHMNESA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14761" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103417" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103418 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-XZSHTLEFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14762" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103418" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103419 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-IFOBJOEFSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14763" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103419" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103420 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-NXRFZHLESA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14764" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103420" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103421 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-KUXNCQQFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14765" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103421" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103422 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-SODQHWRNSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14766" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103422" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103423 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C21H25ClFN3O5S" ; chebi:inchi "InChI=1S/C21H25ClFN3O5S/c22-14-3-1-6-18(11-14)32(29,30)24-10-9-17-7-8-19(20(13-27)31-17)26-21(28)25-16-5-2-4-15(23)12-16/h1-6,11-12,17,19-20,24,27H,7-10,13H2,(H2,25,26,28)/t17-,19+,20+/m1/s1" ; chebi:inchikey "FXPAFMKRDBMTQM-HOJAQTOUSA-N" ; chebi:mass "485.959" ; chebi:monoisotopicmass "485.11875" ; chebi:smiles "C1C[C@@H]([C@@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-14767" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103423" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea" . obo:CHEBI_103424 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-SODQHWRNSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14768" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103424" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103425 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-PXFJVXAFSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14769" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103425" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103426 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-KIAQLKRMSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14770" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103426" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103427 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H40N4O5" ; chebi:inchi "InChI=1S/C26H40N4O5/c1-16(2)27-26(33)28-20-10-11-22-21(12-20)25(32)29(5)14-23(34-6)17(3)13-30(18(4)15-35-22)24(31)19-8-7-9-19/h10-12,16-19,23H,7-9,13-15H2,1-6H3,(H2,27,28,33)/t17-,18-,23-/m1/s1" ; chebi:inchikey "FNBLPFIHIJQMKK-PMAPCBKXSA-N" ; chebi:mass "488.621" ; chebi:monoisotopicmass "488.29987" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14771" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103427" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4R,7R,8S)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea" . obo:CHEBI_103428 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CAFXQFFASA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14772" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103428" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103429 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H34N4O5" ; chebi:inchi "InChI=1S/C27H34N4O5/c1-4-28-27(34)30-19-10-13-23-21(14-19)26(33)31(3)22-12-11-20(36-24(22)16-35-23)15-25(32)29-17(2)18-8-6-5-7-9-18/h5-10,13-14,17,20,22,24H,4,11-12,15-16H2,1-3H3,(H,29,32)(H2,28,30,34)/t17-,20+,22+,24-/m1/s1" ; chebi:inchikey "YBRLGVDHYMUGPQ-HLPIXKIESA-N" ; chebi:mass "494.584" ; chebi:monoisotopicmass "494.25292" ; chebi:smiles "CCNC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@H](CC[C@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14773" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103429" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2S,4aS,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide" . obo:CHEBI_10343 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16958 ; owl:deprecated true . obo:CHEBI_103430 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-GURVGDRESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14774" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103430" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103431 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-VCTIXIOLSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14775" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103431" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103432 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-GBRARVNLSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14776" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103432" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103433 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-QTLXSIBASA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14777" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103433" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103434 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-ZGQJUUMOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14778" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103434" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103435 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UWHHFBIGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14779" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103435" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103436 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-MSZDEVHKSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14780" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103436" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103437 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-OYSWMMLKSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14781" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103437" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103438 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-BXWHCVCYSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14782" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103438" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103439 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-UECWXEIQSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14783" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103439" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10344 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28825 ; owl:deprecated true . obo:CHEBI_103440 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C23H33N5O5" ; chebi:inchi "InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m1/s1" ; chebi:inchikey "OLUPXTRBOWIZHH-YVWKXTFCSA-N" ; chebi:mass "459.540" ; chebi:monoisotopicmass "459.24817" ; chebi:smiles "COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14784" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103440" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea" . obo:CHEBI_103441 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-VKDGWMQASA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14785" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103441" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103442 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZXPXOXBPSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14786" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103442" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103443 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26+,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-ZGQJUUMOSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14787" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103443" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103444 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-KCOOYEKVSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14788" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103444" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103445 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZASNTINBSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14789" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103445" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103446 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-XZSZPMDUSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14790" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103446" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103447 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-INVAMZEASA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14791" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103447" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103448 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29-/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-DOUCHOMGSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14792" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103448" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103449 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-SRCYTUNASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14793" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103449" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10345 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15337 ; owl:deprecated true . obo:CHEBI_103450 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-PDFGSZSQSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14794" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103450" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103451 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C26H29FN2O5" ; chebi:inchi "InChI=1S/C26H29FN2O5/c27-17-6-1-3-15(9-17)13-28-24(31)12-19-11-21-20-10-18(29-26(32)16-4-2-5-16)7-8-22(20)34-25(21)23(14-30)33-19/h1,3,6-10,16,19,21,23,25,30H,2,4-5,11-14H2,(H,28,31)(H,29,32)/t19-,21-,23-,25+/m1/s1" ; chebi:inchikey "OPNBGVGHIKRRPP-YTAKYCMFSA-N" ; chebi:mass "468.518" ; chebi:monoisotopicmass "468.20605" ; chebi:smiles "C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC(=CC=C5)F" ; oboInOwl:hasDbXref "LINCS:LSM-14795" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103451" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide" . obo:CHEBI_103452 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29-/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-MNGFJMBLSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14796" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103452" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103453 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-SODQHWRNSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14797" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103453" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103454 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C19H26N2O5" ; chebi:inchi "InChI=1S/C19H26N2O5/c1-25-19(24)18-14(11-22)13-10-20-15(3-2-4-16(20)23)17(13)21(18)9-12-5-7-26-8-6-12/h2-4,12-14,17-18,22H,5-11H2,1H3/t13-,14-,17+,18-/m1/s1" ; chebi:inchikey "HJKBIQDSPUJSJY-KJWYOANISA-N" ; chebi:mass "362.421" ; chebi:monoisotopicmass "362.18417" ; chebi:smiles "COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1CC4CCOCC4)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14798" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103454" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester" . obo:CHEBI_103455 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-IZZGNVEXSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14799" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103455" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103456 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-ANKKVJNISA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14800" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103456" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103457 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-IZPIQJOWSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14801" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103457" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103458 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33-/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-GLPSKGHJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14802" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103458" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103459 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-IXTDCBFRSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14803" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103459" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10346 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15507 ; owl:deprecated true . obo:CHEBI_103460 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27+/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GGLGADRISA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14804" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103460" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103461 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-QDMVCWPOSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14805" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103461" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103462 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-IMIIHFCZSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14806" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103462" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103463 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-QSGNWFJVSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14807" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103463" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103464 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-HSGJQSDISA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14808" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103464" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103465 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-SQQWPVGBSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14809" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103465" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103466 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-DBYOASNMSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14810" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103466" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103467 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-BXWHCVCYSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14811" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103467" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103468 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CYNXIGLJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14812" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103468" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103469 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-QTLXSIBASA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14813" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103469" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10347 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28712 ; owl:deprecated true . obo:CHEBI_103470 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20+,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-FDGPYGQJSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14814" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103470" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103471 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-PDTFHCFTSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14815" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103471" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103472 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UGCAPWQASA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14816" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103472" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103473 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-IFOBJOEFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14817" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103473" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103474 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_20857 ; chebi:charge "0" ; chebi:formula "C15H26N4O3" ; chebi:inchi "InChI=1S/C15H26N4O3/c16-12-4-3-11(22-13(12)10-20)5-8-19-9-14(17-18-19)15(21)6-1-2-7-15/h9,11-13,20-21H,1-8,10,16H2/t11-,12+,13-/m0/s1" ; chebi:inchikey "YQJUMYRMLUKMMH-XQQFMLRXSA-N" ; chebi:mass "310.393" ; chebi:monoisotopicmass "310.20049" ; chebi:smiles "C1CCC(C1)(C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)N)O" ; oboInOwl:hasDbXref "LINCS:LSM-14818" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103474" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol" . obo:CHEBI_103475 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32+/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-ZYMMPZCLSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14819" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103475" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103476 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-ZLFFOLKFSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14820" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103476" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103477 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-ZUVQJFRASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14821" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103477" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103478 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PXFJVXAFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14822" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103478" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103479 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-SQRAXXTESA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14823" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103479" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_10348 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27749 ; owl:deprecated true . obo:CHEBI_103480 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-SODQHWRNSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14824" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103480" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103481 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-ZXPXOXBPSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14825" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103481" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103482 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-ZASNTINBSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14826" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103482" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103483 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-RPQPUBLWSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14827" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103483" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103484 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24-/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-ZBNTXBBCSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14828" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103484" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103485 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CYNXIGLJSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14829" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103485" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103486 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-DNHJLFCISA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14830" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103486" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103487 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29-/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CDLOMYRSSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14831" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103487" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103488 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-UBRKHCEVSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14832" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103488" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103489 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-YDXRHMNESA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14833" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103489" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10349 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_18323 ; owl:deprecated true . obo:CHEBI_103490 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-FJRSXGRASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14834" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103490" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103491 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23+,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-DGGNIJSCSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14835" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103491" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103492 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25+,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-VYUAFQCHSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14836" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103492" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103493 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20-,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-AZXNSQLWSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14837" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103493" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103494 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-SFOWLQBLSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14838" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103494" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103495 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-PIXQIBFHSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14839" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103495" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103496 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-DUXAABNJSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14840" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103496" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103497 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25-,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-IKOOFXLXSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14841" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103497" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103498 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UKDJSQQHSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14842" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103498" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103499 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25+/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-UGCAPWQASA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14843" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103499" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_1035 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17541 ; owl:deprecated true . obo:CHEBI_10350 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27608 ; owl:deprecated true . obo:CHEBI_103500 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29-/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-XHHBKWMTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14844" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103500" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103501 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-FJRSXGRASA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14845" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103501" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103502 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BILGYAHESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14846" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103502" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103503 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-DUXAABNJSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14847" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103503" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103504 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26-,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-WJQRCLFPSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14848" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103504" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103505 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-OLHJXYGRSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14849" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103505" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103506 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26-,31-/m1/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-FVCFNFBRSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14850" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103506" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103507 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PZTYDPALSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14851" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103507" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103508 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-RZDWVWPCSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14852" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103508" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103509 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-LIHQSLCGSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14853" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103509" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_10351 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27413 ; owl:deprecated true . obo:CHEBI_103510 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-SQRAXXTESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14854" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103510" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103511 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-OYSWMMLKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14855" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103511" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103512 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-ZQIPMTRKSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14856" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103512" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103513 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-IZZGNVEXSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14857" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103513" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103514 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-SFOWLQBLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14858" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103514" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103515 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZXPXOXBPSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14859" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103515" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103516 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BTKWVRSESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14860" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103516" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103517 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-GYKHTSFTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14861" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103517" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103518 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26+/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-CQAGSAPUSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14862" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103518" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103519 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZRIOWSNCSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14863" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103519" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_10352 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25872 ; rdfs:subClassOf obo:CHEBI_35681 . _:b1996 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b1996 . _:b1996 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b1997 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b1997 . _:b1997 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76956 . _:b1998 rdf:type owl:Restriction . obo:CHEBI_10352 rdfs:subClassOf _:b1998 . _:b1998 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_36481 . obo:CHEBI_10352 obo:IAO_0000115 "A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants." ; chebi:charge "0" ; chebi:formula "C30H50O" ; chebi:inchi "InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1" ; chebi:inchikey "JFSHUTJDVKUMTJ-QHPUVITPSA-N" ; chebi:mass "426.71740" ; chebi:monoisotopicmass "426.38617" ; chebi:smiles "[H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C" ; oboInOwl:hasDbXref "CAS:559-70-6" ; oboInOwl:hasDbXref "KEGG:C08616" ; oboInOwl:hasDbXref "KNApSAcK:C00003738" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR0106150015" ; oboInOwl:hasDbXref "MetaCyc:CPD-6948" ; oboInOwl:hasDbXref "PMID:16478469" ; oboInOwl:hasDbXref "PMID:17803686" ; oboInOwl:hasDbXref "PMID:21046981" ; oboInOwl:hasDbXref "PMID:24079177" ; oboInOwl:hasDbXref "PMID:24960408" ; oboInOwl:hasDbXref "PMID:25026352" ; oboInOwl:hasDbXref "PMID:25115087" ; oboInOwl:hasDbXref "PMID:5639923" ; oboInOwl:hasDbXref "PMID:6875511" ; oboInOwl:hasDbXref "Reaxys:2063468" ; oboInOwl:hasExactSynonym "beta-Amyrin" ; oboInOwl:hasExactSynonym "beta-amyrin" ; oboInOwl:hasExactSynonym "olean-12-en-3beta-ol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(3beta)-olean-12-en-3-ol" ; oboInOwl:hasRelatedSynonym "3beta-hydroxyolean-12-ene" ; oboInOwl:hasRelatedSynonym "amyrin" ; oboInOwl:hasRelatedSynonym "beta-Amyrenol" ; oboInOwl:id "CHEBI:10352" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-amyrin" . _:b1999 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:559-70-6" ; rdfs:label "ChemIDplus" . _:b2000 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:559-70-6" ; rdfs:label "KEGG COMPOUND" . _:b2001 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR0106150015" ; rdfs:label "LIPID MAPS" . _:b2002 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:16478469" ; rdfs:label "Europe PMC" . _:b2003 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17803686" ; rdfs:label "Europe PMC" . _:b2004 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21046981" ; rdfs:label "Europe PMC" . _:b2005 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24079177" ; rdfs:label "Europe PMC" . _:b2006 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24960408" ; rdfs:label "Europe PMC" . _:b2007 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25026352" ; rdfs:label "Europe PMC" . _:b2008 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:25115087" ; rdfs:label "Europe PMC" . _:b2009 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:5639923" ; rdfs:label "Europe PMC" . _:b2010 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:6875511" ; rdfs:label "Europe PMC" . _:b2011 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2063468" ; rdfs:label "Reaxys" . _:b2012 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-Amyrin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2013 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-amyrin" ; oboInOwl:hasDbXref "UniProt" . _:b2014 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "olean-12-en-3beta-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2015 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(3beta)-olean-12-en-3-ol" ; oboInOwl:hasDbXref "IUPAC" . _:b2016 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "3beta-hydroxyolean-12-ene" ; oboInOwl:hasDbXref "ChEBI" . _:b2017 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "amyrin" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2018 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10352 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-Amyrenol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103520 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-ZXPXOXBPSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14864" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103520" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103521 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31-/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-SQRAXXTESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14865" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103521" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103522 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-PDTFHCFTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14866" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103522" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103523 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25+,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-GYKHTSFTSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14867" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103523" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103524 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BOCITWAFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14868" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103524" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103525 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-RPQPUBLWSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14869" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103525" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103526 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-JLMYGFKKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14870" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103526" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103527 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-HYHRRZRMSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14871" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103527" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103528 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-GMKFGHRTSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14872" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103528" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103529 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-DNHJLFCISA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14873" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103529" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_10353 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_78308 . _:b2019 rdf:type owl:Restriction . obo:CHEBI_10353 rdfs:subClassOf _:b2019 . _:b2019 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_50268 . obo:CHEBI_10353 obo:IAO_0000115 "The cis-isomer of asarone." ; chebi:charge "0" ; chebi:formula "C12H16O3" ; chebi:inchi "InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-" ; chebi:inchikey "RKFAZBXYICVSKP-WAYWQWQTSA-N" ; chebi:mass "208.25360" ; chebi:monoisotopicmass "208.10994" ; chebi:smiles "COc1cc(OC)c(\\C=C/C)cc1OC" ; oboInOwl:hasAlternativeId "CHEBI:68146" ; oboInOwl:hasDbXref "CAS:5273-86-9" ; oboInOwl:hasDbXref "KEGG:C10430" ; oboInOwl:hasDbXref "KNApSAcK:C00002715" ; oboInOwl:hasDbXref "PMID:17405096" ; oboInOwl:hasDbXref "PMID:20460763" ; oboInOwl:hasDbXref "PMID:20460873" ; oboInOwl:hasDbXref "PMID:21563811" ; oboInOwl:hasDbXref "PMID:21621011" ; oboInOwl:hasDbXref "PMID:22306244" ; oboInOwl:hasDbXref "PMID:22512081" ; oboInOwl:hasDbXref "PMID:24066702" ; oboInOwl:hasDbXref "Reaxys:1910605" ; oboInOwl:hasExactSynonym "1,2,4-trimethoxy-5-[(1Z)-prop-1-en-1-yl]benzene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(Z)-1,2,4-trimethoxy-5-(1-propenyl)benzene" ; oboInOwl:hasRelatedSynonym "(Z)-asarone" ; oboInOwl:hasRelatedSynonym "cis-2,4,5-trimethoxyphenylpropene" ; oboInOwl:hasRelatedSynonym "cis-Asarone" ; oboInOwl:hasRelatedSynonym "cis-isoasarone" ; oboInOwl:hasRelatedSynonym "cis-isoelemicin" ; oboInOwl:id "CHEBI:10353" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-asarone" . _:b2020 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:5273-86-9" ; rdfs:label "ChemIDplus" . _:b2021 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:5273-86-9" ; rdfs:label "KEGG COMPOUND" . _:b2022 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17405096" ; rdfs:label "Europe PMC" . _:b2023 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20460763" ; rdfs:label "Europe PMC" . _:b2024 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20460873" ; rdfs:label "Europe PMC" . _:b2025 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21563811" ; rdfs:label "Europe PMC" . _:b2026 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21621011" ; rdfs:label "Europe PMC" . _:b2027 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22306244" ; rdfs:label "Europe PMC" . _:b2028 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22512081" ; rdfs:label "Europe PMC" . _:b2029 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:24066702" ; rdfs:label "Europe PMC" . _:b2030 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1910605" ; rdfs:label "Reaxys" . _:b2031 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "1,2,4-trimethoxy-5-[(1Z)-prop-1-en-1-yl]benzene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2032 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(Z)-1,2,4-trimethoxy-5-(1-propenyl)benzene" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2033 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(Z)-asarone" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2034 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cis-2,4,5-trimethoxyphenylpropene" ; oboInOwl:hasDbXref "ChEBI" . _:b2035 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cis-Asarone" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2036 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cis-isoasarone" ; oboInOwl:hasDbXref "ChEBI" . _:b2037 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10353 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cis-isoelemicin" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103530 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-SMTRIPRVSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14874" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103530" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103531 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N3O6S" ; chebi:inchi "InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "YZTWEKNKNNRJIX-BCVXLEMTSA-N" ; chebi:mass "603.815" ; chebi:monoisotopicmass "603.33421" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14875" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103531" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide" . obo:CHEBI_103532 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UKDJSQQHSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14876" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103532" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103533 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-YCFYUYSTSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14877" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103533" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103534 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-OLHJXYGRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14878" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103534" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103535 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BOCITWAFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14879" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103535" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103536 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-SRCYTUNASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14880" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103536" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103537 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HGPRPZRGSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14881" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103537" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103538 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-RZDWVWPCSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14882" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103538" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103539 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26-,31+/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-GURVGDRESA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14883" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103539" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_10354 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27723 ; owl:deprecated true . obo:CHEBI_103540 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-ZQIPMTRKSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14884" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103540" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103541 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29-/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-MGQBIDJDSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14885" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103541" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103542 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-FJRSXGRASA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14886" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103542" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103543 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23-,24-,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-UITIVDIESA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14887" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103543" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103544 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-PIXQIBFHSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14888" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103544" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103545 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27+,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-IULAASEQSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14889" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103545" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103546 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-SFOWLQBLSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14890" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103546" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103547 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-QTDDQOEGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14891" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103547" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103548 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,30+/m1/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-DUXAABNJSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14892" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103548" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103549 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-UBRKHCEVSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14893" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103549" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_10355 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17579 ; owl:deprecated true . obo:CHEBI_103550 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29-/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-RTAAPDIRSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14894" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103550" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103551 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-ZTVFFDQVSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14895" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103551" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103552 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-GIRPNKPCSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14896" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103552" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103553 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-ZLFFOLKFSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14897" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103553" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103554 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-KUXNCQQFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14898" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103554" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103555 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-XZSZPMDUSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14899" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103555" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103556 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26-/m0/s1" ; chebi:inchikey "NPRRWKGRZALGNG-IFOBJOEFSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14900" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103556" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103557 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-FJRSXGRASA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14901" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103557" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103558 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-RPQPUBLWSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14902" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103558" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103559 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26-,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-PXSDZQOHSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14903" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103559" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_10356 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27793 ; owl:deprecated true . obo:CHEBI_103560 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C33H40N6O6" ; chebi:inchi "InChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27+,29-/m0/s1" ; chebi:inchikey "JZQJXXSKGFWMTL-RCZLLDMCSA-N" ; chebi:mass "616.709" ; chebi:monoisotopicmass "616.30093" ; chebi:smiles "CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14904" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103560" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide" . obo:CHEBI_103561 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m1/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IQXSCUCBSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14905" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103561" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103562 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-DNHJLFCISA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14906" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103562" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103563 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-DNHJLFCISA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14907" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103563" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103564 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-IMIIHFCZSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14908" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103564" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103565 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-UBRKHCEVSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14909" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103565" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103566 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H34N2O7S" ; chebi:inchi "InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23-,25-,27+/m1/s1" ; chebi:inchikey "MPXYHEQTTLDTMZ-BQGNDZODSA-N" ; chebi:mass "530.635" ; chebi:monoisotopicmass "530.20867" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NC5CCCCC5" ; oboInOwl:hasDbXref "LINCS:LSM-14910" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103566" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide" . obo:CHEBI_103567 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25-,26-,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-KUXNCQQFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14911" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103567" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103568 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H35F2N3O5" ; chebi:inchi "InChI=1S/C27H35F2N3O5/c1-17-12-32(13-19-10-20(28)6-8-23(19)29)18(2)15-37-24-9-7-21(30-26(33)16-35-4)11-22(24)27(34)31(3)14-25(17)36-5/h6-11,17-18,25H,12-16H2,1-5H3,(H,30,33)/t17-,18+,25-/m1/s1" ; chebi:inchikey "ZVOSTPFCAQQCID-FUMQJTLXSA-N" ; chebi:mass "519.582" ; chebi:monoisotopicmass "519.25448" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14912" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103568" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide" . obo:CHEBI_103569 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25+,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-SGDZTBBFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14913" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103569" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_10357 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63191 . _:b2038 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b2038 . _:b2038 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_25212 . _:b2039 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b2039 . _:b2039 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_35475 . _:b2040 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b2040 . _:b2040 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_48318 . _:b2041 rdf:type owl:Restriction . obo:CHEBI_10357 rdfs:subClassOf _:b2041 . _:b2041 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_63190 . obo:CHEBI_10357 obo:IAO_0000115 "A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1" ; chebi:inchikey "NPNUFJAVOOONJE-GFUGXAQUSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@]12CC(C)(C)[C@]1([H])CC\\C(C)=C\\CCC2=C" ; oboInOwl:hasDbXref "CAS:87-44-5" ; oboInOwl:hasDbXref "KEGG:C09629" ; oboInOwl:hasDbXref "KNApSAcK:C00003110" ; oboInOwl:hasDbXref "MetaCyc:CPD-8230" ; oboInOwl:hasDbXref "PMID:12409018" ; oboInOwl:hasDbXref "PMID:18574142" ; oboInOwl:hasDbXref "PMID:20015227" ; oboInOwl:hasDbXref "PMID:20398787" ; oboInOwl:hasDbXref "PMID:20433083" ; oboInOwl:hasDbXref "PMID:21366052" ; oboInOwl:hasDbXref "PMID:21425686" ; oboInOwl:hasDbXref "PMID:21941920" ; oboInOwl:hasDbXref "Reaxys:2044564" ; oboInOwl:hasDbXref "Wikipedia:Caryophyllene" ; oboInOwl:hasExactSynonym "(-)-beta-caryophyllene" ; oboInOwl:hasExactSynonym "(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(E)-beta-caryophyllene" ; oboInOwl:hasRelatedSynonym "Caryophyllene" ; oboInOwl:hasRelatedSynonym "beta-Caryophyllene" ; oboInOwl:hasRelatedSynonym "caryophyllene" ; oboInOwl:hasRelatedSynonym "trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene" ; oboInOwl:hasRelatedSynonym "trans-caryophyllene" ; oboInOwl:id "CHEBI:10357" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-beta-caryophyllene" . _:b2042 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:87-44-5" ; rdfs:label "ChemIDplus" . _:b2043 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:87-44-5" ; rdfs:label "KEGG COMPOUND" . _:b2044 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:87-44-5" ; rdfs:label "NIST Chemistry WebBook" . _:b2045 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12409018" ; rdfs:label "Europe PMC" . _:b2046 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:18574142" ; rdfs:label "Europe PMC" . _:b2047 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20015227" ; rdfs:label "Europe PMC" . _:b2048 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20398787" ; rdfs:label "Europe PMC" . _:b2049 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20433083" ; rdfs:label "Europe PMC" . _:b2050 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21366052" ; rdfs:label "Europe PMC" . _:b2051 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21425686" ; rdfs:label "Europe PMC" . _:b2052 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:21941920" ; rdfs:label "Europe PMC" . _:b2053 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2044564" ; rdfs:label "Reaxys" . _:b2054 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(-)-beta-caryophyllene" ; oboInOwl:hasDbXref "UniProt" . _:b2055 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2056 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(E)-beta-caryophyllene" ; oboInOwl:hasDbXref "MetaCyc" . _:b2057 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Caryophyllene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2058 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-Caryophyllene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2059 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "caryophyllene" ; oboInOwl:hasDbXref "ChEBI" . _:b2060 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene" ; oboInOwl:hasDbXref "ChEBI" . _:b2061 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10357 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "trans-caryophyllene" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103570 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-ZASNTINBSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14914" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103570" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103571 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-BTKWVRSESA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14915" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103571" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103572 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22+,26-/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-ZUVQJFRASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14916" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103572" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103573 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27+,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-ZJXZHUIYSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14917" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103573" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103574 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H29FN2O7S" ; chebi:inchi "InChI=1S/C28H29FN2O7S/c1-36-19-6-4-7-21(12-19)39(34,35)31-18-9-10-25-22(11-18)23-13-20(37-26(16-32)28(23)38-25)14-27(33)30-15-17-5-2-3-8-24(17)29/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23+,26+,28-/m1/s1" ; chebi:inchikey "UQAGOAYYXRCKNS-BYAUNOKSSA-N" ; chebi:mass "556.605" ; chebi:monoisotopicmass "556.16795" ; chebi:smiles "COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-14918" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103574" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide" . obo:CHEBI_103575 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H33N3O5S" ; chebi:inchi "InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22+,29-/m0/s1" ; chebi:inchikey "RWOMJVAVZPFCIF-KERYWQKISA-N" ; chebi:mass "547.667" ; chebi:monoisotopicmass "547.21409" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14919" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103575" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14919" . obo:CHEBI_103576 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-CMSZEEODSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14920" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103576" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103577 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21+,22+,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-QILISPFLSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14921" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103577" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103578 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22+,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-BOCITWAFSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14922" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103578" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103579 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-PDFGSZSQSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14923" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103579" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10358 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_36217 ; owl:deprecated true . obo:CHEBI_103580 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25+,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-RPQPUBLWSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14924" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103580" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103581 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-MSCBGTKOSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14925" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103581" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103582 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H43N3O6S" ; chebi:inchi "InChI=1S/C25H43N3O6S/c1-18-15-28(19(2)17-29)25(30)22-14-21(26(4)5)11-12-23(22)34-20(3)10-8-9-13-33-24(18)16-27(6)35(7,31)32/h11-12,14,18-20,24,29H,8-10,13,15-17H2,1-7H3/t18-,19+,20+,24-/m0/s1" ; chebi:inchikey "ORDOAKKGIRZCMJ-SMOZNVCYSA-N" ; chebi:mass "513.692" ; chebi:monoisotopicmass "513.28726" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-14926" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103582" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylmethanesulfonamide" . obo:CHEBI_103583 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33+/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CDNUTCOBSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14927" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103583" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103584 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-MVPDCNEZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14928" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103584" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103585 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21-,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-FBROZUCGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14929" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103585" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103586 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C26H32N2O8S" ; chebi:inchi "InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20+,22-,25+/m0/s1" ; chebi:inchikey "HNAQDDNENYJUKU-FOTFPPMPSA-N" ; chebi:mass "532.608" ; chebi:monoisotopicmass "532.18794" ; chebi:smiles "CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC5=C(C=C4)OCO5)O" ; oboInOwl:hasDbXref "LINCS:LSM-14930" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103586" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103587 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-CPVANYHMSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14931" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103587" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103588 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29+/m1/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HZTMJRFTSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14932" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103588" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103589 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-BCVXLEMTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14933" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103589" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_10359 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_61744 . _:b2062 rdf:type owl:Restriction . obo:CHEBI_10359 rdfs:subClassOf _:b2062 . _:b2062 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_61746 . obo:CHEBI_10359 obo:IAO_0000115 "The (6R)-enantiomer of beta-chamigrene." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1" ; chebi:inchikey "WLNGPDPILFYWKF-OAHLLOKOSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C" ; oboInOwl:hasDbXref "CAS:18431-82-8" ; oboInOwl:hasDbXref "KEGG:C09637" ; oboInOwl:hasDbXref "KNApSAcK:C00003116" ; oboInOwl:hasDbXref "Reaxys:2326950" ; oboInOwl:hasExactSynonym "(6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-chamigrene" ; oboInOwl:hasRelatedSynonym "(R)-beta-chamigrene" ; oboInOwl:hasRelatedSynonym "beta-Chamigrene" ; oboInOwl:id "CHEBI:10359" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(-)-beta-chamigrene" . _:b2063 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:18431-82-8" ; rdfs:label "ChemIDplus" . _:b2064 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:18431-82-8" ; rdfs:label "KEGG COMPOUND" . _:b2065 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2326950" ; rdfs:label "Reaxys" . _:b2066 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2067 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-chamigrene" ; oboInOwl:hasDbXref "ChEBI" . _:b2068 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-beta-chamigrene" ; oboInOwl:hasDbXref "ChEBI" . _:b2069 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10359 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-Chamigrene" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103590 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21+,25-/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-HULNYRCFSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14934" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103590" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103591 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21+,25-/m1/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-NAZDKBRTSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14935" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103591" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103592 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23-,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-NBCVKUGOSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14936" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103592" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103593 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33-/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-IULAASEQSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14937" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103593" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103594 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33+/m1/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CDNUTCOBSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14938" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103594" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103595 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-SFOWLQBLSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14939" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103595" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103596 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26-,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-FBIDWWCOSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14940" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103596" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103597 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-QSGNWFJVSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-14941" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103597" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103598 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)35-23-10-11-25-24(15-23)28(40)37(21(4)18-38)16-20(3)26(42-14-8-7-9-22(5)43-25)17-36(6)27(39)12-13-30(31,32)33/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H2,34,35,41)/t20-,21-,22-,26+/m1/s1" ; chebi:inchikey "NPRRWKGRZALGNG-BILGYAHESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-14942" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103598" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103599 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23+,29-/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-KOBSQPAKSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14943" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103599" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_1036 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17344 ; owl:deprecated true . obo:CHEBI_10360 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50462 . _:b2070 rdf:type owl:Restriction . obo:CHEBI_10360 rdfs:subClassOf _:b2070 . _:b2070 owl:onProperty chebi2:is_enantiomer_of ; owl:someValuesFrom obo:CHEBI_88 . obo:CHEBI_10360 obo:IAO_0000115 "A citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer)." ; chebi:charge "0" ; chebi:formula "C10H20O" ; chebi:inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1" ; chebi:inchikey "QMVPMAAFGQKVCJ-SNVBAGLBSA-N" ; chebi:mass "156.26520" ; chebi:monoisotopicmass "156.15142" ; chebi:smiles "C[C@@H](CCO)CCC=C(C)C" ; oboInOwl:hasDbXref "Beilstein:1721506" ; oboInOwl:hasDbXref "CAS:1117-61-9" ; oboInOwl:hasDbXref "KEGG:C09849" ; oboInOwl:hasDbXref "KNApSAcK:C00000844" ; oboInOwl:hasDbXref "KNApSAcK:C00003038" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR0102010008" ; oboInOwl:hasDbXref "Reaxys:1721506" ; oboInOwl:hasExactSynonym "(3R)-3,7-dimethyloct-6-en-1-ol" ; oboInOwl:hasExactSynonym "(R)-(+)-Citronellol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10360" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(R)-(+)-citronellol" . _:b2071 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1721506" ; rdfs:label "Beilstein" . _:b2072 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1117-61-9" ; rdfs:label "ChemIDplus" . _:b2073 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:1117-61-9" ; rdfs:label "KEGG COMPOUND" . _:b2074 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR0102010008" ; rdfs:label "LIPID MAPS" . _:b2075 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1721506" ; rdfs:label "Reaxys" . _:b2076 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3R)-3,7-dimethyloct-6-en-1-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2077 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10360 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(R)-(+)-Citronellol" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103600 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21-,22+,26+/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-BTKWVRSESA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14944" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103600" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103601 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21+,22-,26-/m1/s1" ; chebi:inchikey "KNZOATPLJIEOET-UXGLMHHASA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14945" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103601" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103602 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C21H23N3OS" ; chebi:inchi "InChI=1S/C21H23N3OS/c1-4-17-12-23-21(26-17)24-18(11-22)20(19(24)13-25)16-9-7-15(8-10-16)6-5-14(2)3/h7-10,12,14,18-20,25H,4,13H2,1-3H3/t18-,19+,20+/m1/s1" ; chebi:inchikey "DBBLKINRPPNEJI-AABGKKOBSA-N" ; chebi:mass "365.494" ; chebi:monoisotopicmass "365.15618" ; chebi:smiles "CCC1=CN=C(S1)N2[C@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC(C)C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14946" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103602" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile" . obo:CHEBI_103603 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27+,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-SQQWPVGBSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14947" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103603" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103604 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26-,27-,33+/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-CLFOAKAGSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14948" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103604" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103605 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25+,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-SGDZTBBFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14949" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103605" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103606 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-HNFJUSDZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14950" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103606" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103607 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21-,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-FBROZUCGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14951" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103607" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103608 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H34N4O7" ; chebi:inchi "InChI=1S/C25H34N4O7/c1-15-11-29(23(30)14-33-5)16(2)13-35-21-8-7-18(26-24(31)20-9-17(3)36-27-20)10-19(21)25(32)28(4)12-22(15)34-6/h7-10,15-16,22H,11-14H2,1-6H3,(H,26,31)/t15-,16-,22+/m0/s1" ; chebi:inchikey "QUVWWXZLNVGVGD-PONJGIIJSA-N" ; chebi:mass "502.561" ; chebi:monoisotopicmass "502.24275" ; chebi:smiles "C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)COC" ; oboInOwl:hasDbXref "LINCS:LSM-14952" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103608" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide" . obo:CHEBI_103609 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-YDXRHMNESA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14953" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103609" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10361 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38922 ; chebi:charge "0" ; chebi:formula "C16H16O6" ; chebi:inchi "InChI=1S/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3" ; chebi:inchikey "NUNJCHKNADZUSZ-UHFFFAOYSA-N" ; chebi:mass "304.295" ; chebi:monoisotopicmass "304.09469" ; chebi:smiles "COc1cc2c3ccc(O)c(OC)c3oc2c(OC)c1OC" ; oboInOwl:hasDbXref "CAS:161748-46-5" ; oboInOwl:hasDbXref "KEGG:C08740" ; oboInOwl:hasDbXref "KNApSAcK:C00002394" ; oboInOwl:hasExactSynonym "beta-Cotonefuran" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10361" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-cotonefuran" . _:b2078 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10361 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:161748-46-5" ; rdfs:label "KEGG COMPOUND" . _:b2079 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10361 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-Cotonefuran" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103610 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-VVEDBRRQSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14954" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103610" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103611 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H48N4O5" ; chebi:inchi "InChI=1S/C28H48N4O5/c1-19(2)29-28(35)31(8)17-26-20(3)16-32(21(4)18-33)27(34)24-15-23(30(6)7)12-13-25(24)37-22(5)11-9-10-14-36-26/h12-13,15,19-22,26,33H,9-11,14,16-18H2,1-8H3,(H,29,35)/t20-,21-,22-,26-/m0/s1" ; chebi:inchikey "KNZOATPLJIEOET-YGWSKSRPSA-N" ; chebi:mass "520.706" ; chebi:monoisotopicmass "520.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14955" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103611" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103612 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46920 ; chebi:charge "0" ; chebi:formula "C22H39N3O5" ; chebi:inchi "InChI=1S/C22H39N3O5/c1-23-6-8-24(9-7-23)22(27)12-19-2-3-20-21(30-19)16-29-15-18(26)14-25(20)13-17-4-10-28-11-5-17/h17-21,26H,2-16H2,1H3/t18-,19-,20-,21+/m1/s1" ; chebi:inchikey "MTMISLSQWFYTRE-NCYKPQTJSA-N" ; chebi:mass "425.563" ; chebi:monoisotopicmass "425.28897" ; chebi:smiles "CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4CCOCC4)O" ; oboInOwl:hasDbXref "LINCS:LSM-14956" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103612" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone" . obo:CHEBI_103613 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33-/m1/s1" ; chebi:inchikey "LMYACBAJSFEPOG-GLPSKGHJSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14957" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103613" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103614 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20-,24+/m1/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-ZSTWQFLISA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14958" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103614" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103615 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46770 ; chebi:charge "0" ; chebi:formula "C17H25N3O3" ; chebi:inchi "InChI=1S/C17H25N3O3/c1-4-8-19-13-9-20-12(6-5-7-14(20)22)16(19)15(11(13)10-21)17(23)18(2)3/h5-7,11,13,15-16,21H,4,8-10H2,1-3H3/t11-,13-,15+,16+/m0/s1" ; chebi:inchikey "OCXQXADZMXZZGR-DDUYRFODSA-N" ; chebi:mass "319.399" ; chebi:monoisotopicmass "319.18959" ; chebi:smiles "CCCN1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14959" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103615" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14959" . obo:CHEBI_103616 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PDTFHCFTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14960" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103616" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103617 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32+/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-MQBJWECPSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14961" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103617" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103618 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25-,26+,31+/m1/s1" ; chebi:inchikey "JEEWDARUSPNTGW-PCEYSVKOSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14962" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103618" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103619 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-CLFOAKAGSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14963" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103619" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_10362 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23045 . _:b2080 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b2080 . _:b2080 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_22586 . _:b2081 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b2081 . _:b2081 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_59163 . _:b2082 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b2082 . _:b2082 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_67200 . _:b2083 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b2083 . _:b2083 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . _:b2084 rdf:type owl:Restriction . obo:CHEBI_10362 rdfs:subClassOf _:b2084 . _:b2084 owl:onProperty chebi2:has_parent_hydride ; owl:someValuesFrom obo:CHEBI_17579 . obo:CHEBI_10362 obo:IAO_0000115 "A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges." ; chebi:charge "0" ; chebi:formula "C40H56O" ; chebi:inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1" ; chebi:inchikey "DMASLKHVQRHNES-FKKUPVFPSA-N" ; chebi:mass "552.87204" ; chebi:monoisotopicmass "552.43312" ; chebi:smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C" ; oboInOwl:hasDbXref "Beilstein:2230123" ; oboInOwl:hasDbXref "CAS:472-70-8" ; oboInOwl:hasDbXref "HMDB:HMDB0033844" ; oboInOwl:hasDbXref "KEGG:C08591" ; oboInOwl:hasDbXref "KNApSAcK:C00000920" ; oboInOwl:hasDbXref "LIPID_MAPS_instance:LMPR01070269" ; oboInOwl:hasDbXref "MetaCyc:CPD-7409" ; oboInOwl:hasDbXref "PMID:15386932" ; oboInOwl:hasDbXref "PMID:19703237" ; oboInOwl:hasDbXref "Reaxys:2230123" ; oboInOwl:hasDbXref "Wikipedia:Cryptoxanthin" ; oboInOwl:hasExactSynonym "(3R)-beta,beta-caroten-3-ol" ; oboInOwl:hasExactSynonym "beta-Cryptoxanthin" ; oboInOwl:hasExactSynonym "beta-cryptoxanthin" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "cryptoxanthin" ; oboInOwl:id "CHEBI:10362" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-cryptoxanthin" . _:b2085 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:2230123" ; rdfs:label "Beilstein" . _:b2086 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:472-70-8" ; rdfs:label "ChemIDplus" . _:b2087 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:472-70-8" ; rdfs:label "KEGG COMPOUND" . _:b2088 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "LIPID_MAPS_instance:LMPR01070269" ; rdfs:label "LIPID MAPS" . _:b2089 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15386932" ; rdfs:label "Europe PMC" . _:b2090 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19703237" ; rdfs:label "Europe PMC" . _:b2091 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:2230123" ; rdfs:label "Reaxys" . _:b2092 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3R)-beta,beta-caroten-3-ol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2093 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-Cryptoxanthin" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2094 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-cryptoxanthin" ; oboInOwl:hasDbXref "UniProt" . _:b2095 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10362 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "cryptoxanthin" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103620 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20+,21+,25+/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-VWEIPLKFSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14964" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103620" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103621 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-RZDWVWPCSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14965" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103621" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103622 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26+/m1/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-SRCYTUNASA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14966" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103622" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103623 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H49N5O5" ; chebi:inchi "InChI=1S/C32H49N5O5/c1-22(2)34-32(40)35-27-10-11-29-28(17-27)31(39)37(24(4)21-38)18-23(3)30(41-16-8-7-9-25(5)42-29)20-36(6)19-26-12-14-33-15-13-26/h10-15,17,22-25,30,38H,7-9,16,18-21H2,1-6H3,(H2,34,35,40)/t23-,24-,25+,30+/m0/s1" ; chebi:inchikey "YBLKRDGTGIUFGT-ZQIPMTRKSA-N" ; chebi:mass "583.763" ; chebi:monoisotopicmass "583.37337" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14967" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103623" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103624 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-DNHJLFCISA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14968" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103624" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103625 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-XZSZPMDUSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14969" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103625" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103626 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22+,23+,27+/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-IILZIBOQSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14970" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103626" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103627 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26+,31+/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-BCVXLEMTSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14971" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103627" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103628 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25-,29+/m1/s1" ; chebi:inchikey "AIBBTECRVWULHH-IKOOFXLXSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14972" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103628" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103629 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24+,25-,29-/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-JLMYGFKKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14973" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103629" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_10363 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35189 ; rdfs:subClassOf obo:CHEBI_38032 . _:b2096 rdf:type owl:Restriction . obo:CHEBI_10363 rdfs:subClassOf _:b2096 . _:b2096 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_76924 . obo:CHEBI_10363 obo:IAO_0000115 "A tricyclic sesquiterpene, a constituent of the leaf oil cubebene obtained from a variety of species of flowering plant." ; chebi:charge "0" ; chebi:formula "C15H24" ; chebi:inchi "InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1" ; chebi:inchikey "FSRZGYRCMPZNJF-KHMAMNHCSA-N" ; chebi:mass "204.35110" ; chebi:monoisotopicmass "204.18780" ; chebi:smiles "[H][C@]12[C@@H](CC[C@@H](C)[C@]11CCC(=C)[C@]21[H])C(C)C" ; oboInOwl:hasDbXref "CAS:13744-15-5" ; oboInOwl:hasDbXref "KEGG:C09648" ; oboInOwl:hasDbXref "KNApSAcK:C00003121" ; oboInOwl:hasDbXref "MetaCyc:CPD-8803" ; oboInOwl:hasDbXref "PMID:12587209" ; oboInOwl:hasDbXref "PMID:15241917" ; oboInOwl:hasDbXref "PMID:19370937" ; oboInOwl:hasDbXref "PMID:19449812" ; oboInOwl:hasDbXref "PMID:20401796" ; oboInOwl:hasDbXref "PMID:20433088" ; oboInOwl:hasExactSynonym "(3aS,3bR,4S,7R,7aR)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene" ; oboInOwl:hasExactSynonym "beta-cubebene" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(-)-beta-cubebene" ; oboInOwl:hasRelatedSynonym "(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene" ; oboInOwl:id "CHEBI:10363" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "beta-cubebene" . _:b2097 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:13744-15-5" ; rdfs:label "ChemIDplus" . _:b2098 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:13744-15-5" ; rdfs:label "KEGG COMPOUND" . _:b2099 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12587209" ; rdfs:label "Europe PMC" . _:b2100 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:15241917" ; rdfs:label "Europe PMC" . _:b2101 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19370937" ; rdfs:label "Europe PMC" . _:b2102 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:19449812" ; rdfs:label "Europe PMC" . _:b2103 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20401796" ; rdfs:label "Europe PMC" . _:b2104 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20433088" ; rdfs:label "Europe PMC" . _:b2105 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(3aS,3bR,4S,7R,7aR)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2106 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-cubebene" ; oboInOwl:hasDbXref "UniProt" . _:b2107 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(-)-beta-cubebene" ; oboInOwl:hasDbXref "MetaCyc" . _:b2108 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10363 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103630 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_50511 ; chebi:charge "0" ; chebi:formula "C24H27F3N4O4" ; chebi:inchi "InChI=1S/C24H27F3N4O4/c25-24(26,27)5-7-30-20-17(18(14-32)21(30)23(34)29-8-10-35-11-9-29)13-31-19(20)4-3-16(22(31)33)15-2-1-6-28-12-15/h1-4,6,12,17-18,20-21,32H,5,7-11,13-14H2/t17-,18-,20+,21-/m0/s1" ; chebi:inchikey "FOQMOMHPOVABOQ-MMKMLUHNSA-N" ; chebi:mass "492.492" ; chebi:monoisotopicmass "492.19844" ; chebi:smiles "C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]3N2CCC(F)(F)F)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14974" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103630" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[4-morpholinyl(oxo)methyl]-7-(3-pyridinyl)-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one" . obo:CHEBI_103631 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H47F3N4O6" ; chebi:inchi "InChI=1S/C30H47F3N4O6/c1-19(2)34-29(41)36(6)17-26-20(3)16-37(21(4)18-38)28(40)24-15-23(35-27(39)12-13-30(31,32)33)10-11-25(24)43-22(5)9-7-8-14-42-26/h10-11,15,19-22,26,38H,7-9,12-14,16-18H2,1-6H3,(H,34,41)(H,35,39)/t20-,21+,22-,26-/m0/s1" ; chebi:inchikey "WCMOVSVGEGOMDB-MSZDEVHKSA-N" ; chebi:mass "616.714" ; chebi:monoisotopicmass "616.34477" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14975" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103631" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103632 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19-,20+,24+/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-PWSZPPJVSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14976" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103632" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103633 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27+,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-ZJXZHUIYSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14977" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103633" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103634 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N5O6" ; chebi:inchi "InChI=1S/C32H47N5O6/c1-21(2)34-32(41)35-26-10-11-28-27(17-26)31(40)37(23(4)20-38)18-22(3)29(42-16-8-7-9-24(5)43-28)19-36(6)30(39)25-12-14-33-15-13-25/h10-15,17,21-24,29,38H,7-9,16,18-20H2,1-6H3,(H2,34,35,41)/t22-,23+,24+,29-/m0/s1" ; chebi:inchikey "TYGOPRMPKRHVEQ-SEAFADMZSA-N" ; chebi:mass "597.747" ; chebi:monoisotopicmass "597.35263" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14978" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103634" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide" . obo:CHEBI_103635 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-XZSZPMDUSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14979" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103635" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103636 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)36-28-15-16-30-29(19-28)33(41)38(25(4)22-39)20-24(3)31(43-17-11-10-12-26(5)44-30)21-37(6)32(40)18-27-13-8-7-9-14-27/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H2,35,36,42)/t24-,25+,26+,31+/m1/s1" ; chebi:inchikey "IEZOTXDZAGKSTL-OLHJXYGRSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14980" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103636" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103637 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20+,21+,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-UWHHFBIGSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14981" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103637" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103638 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21+,25-/m0/s1" ; chebi:inchikey "ULMVXXWMSACXHE-HULNYRCFSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14982" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103638" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103639 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H43N5O6S" ; chebi:inchi "InChI=1S/C27H43N5O6S/c1-19-14-32(20(2)17-33)27(34)23-13-22(29-39(35,36)26-16-31(6)18-28-26)10-11-24(23)38-21(3)9-7-8-12-37-25(19)15-30(4)5/h10-11,13,16,18-21,25,29,33H,7-9,12,14-15,17H2,1-6H3/t19-,20-,21-,25-/m1/s1" ; chebi:inchikey "ULMVXXWMSACXHE-QTDDQOEGSA-N" ; chebi:mass "565.727" ; chebi:monoisotopicmass "565.29341" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14983" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103639" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_10364 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39270 ; chebi:charge "0" ; chebi:formula "C15H20O2" ; chebi:inchi "InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1" ; chebi:inchikey "XUYAKPXYKQEFPD-SFDCQRBFSA-N" ; chebi:mass "232.319" ; chebi:monoisotopicmass "232.14633" ; chebi:smiles "C[C@]12CCCC(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2" ; oboInOwl:hasDbXref "CAS:2221-82-1" ; oboInOwl:hasDbXref "KEGG:C09384" ; oboInOwl:hasDbXref "KNApSAcK:C00003242" ; oboInOwl:hasExactSynonym "beta-Cyclocostunolide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10364" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-Cyclocostunolide" . _:b2109 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10364 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2221-82-1" ; rdfs:label "KEGG COMPOUND" . _:b2110 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10364 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-Cyclocostunolide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103640 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H44N4O5" ; chebi:inchi "InChI=1S/C26H44N4O5/c1-17(2)28-26(33)29-21-10-11-23-22(13-21)25(32)30(19(4)16-31)15-18(3)24(14-27-6)34-12-8-7-9-20(5)35-23/h10-11,13,17-20,24,27,31H,7-9,12,14-16H2,1-6H3,(H2,28,29,33)/t18-,19+,20+,24-/m0/s1" ; chebi:inchikey "DGSOXKKLHVIDDH-SMOZNVCYSA-N" ; chebi:mass "492.652" ; chebi:monoisotopicmass "492.33117" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-14984" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103640" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103641 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H50N4O6" ; chebi:inchi "InChI=1S/C34H50N4O6/c1-23(2)35-34(42)37(6)21-31-24(3)20-38(25(4)22-39)33(41)29-19-28(36-32(40)18-27-13-8-7-9-14-27)15-16-30(29)44-26(5)12-10-11-17-43-31/h7-9,13-16,19,23-26,31,39H,10-12,17-18,20-22H2,1-6H3,(H,35,42)(H,36,40)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "JEEWDARUSPNTGW-XZSHTLEFSA-N" ; chebi:mass "610.785" ; chebi:monoisotopicmass "610.37304" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14985" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103641" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103642 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30+/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-YDXRHMNESA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14986" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103642" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103643 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H46N4O5" ; chebi:inchi "InChI=1S/C27H46N4O5/c1-18(2)28-27(34)29-22-11-12-24-23(14-22)26(33)31(20(4)17-32)15-19(3)25(16-30(6)7)35-13-9-8-10-21(5)36-24/h11-12,14,18-21,25,32H,8-10,13,15-17H2,1-7H3,(H2,28,29,34)/t19-,20-,21-,25+/m0/s1" ; chebi:inchikey "YWYDVFGOYOJBGO-AIFLQVKLSA-N" ; chebi:mass "506.679" ; chebi:monoisotopicmass "506.34682" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14987" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103643" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103644 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C26H27FN4O4" ; chebi:inchi "InChI=1S/C26H27FN4O4/c27-16-4-1-3-15(9-16)19-7-8-21-24-23(25(33)29-17-5-2-6-17)20(12-32)22(11-31(21)26(19)34)30(24)10-18-13-35-14-28-18/h1,3-4,7-9,13-14,17,20,22-24,32H,2,5-6,10-12H2,(H,29,33)/t20-,22-,23+,24+/m1/s1" ; chebi:inchikey "UTTHWALNPQWSTE-AZOUXBGGSA-N" ; chebi:mass "478.516" ; chebi:monoisotopicmass "478.20163" ; chebi:smiles "C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@@H]2N3CC6=COC=N6)CO" ; oboInOwl:hasDbXref "LINCS:LSM-14988" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103644" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-14988" . obo:CHEBI_103645 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25-,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-XZSZPMDUSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-14989" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103645" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103646 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22-,23-,29+/m1/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-OFKKAEEBSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14990" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103646" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103647 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24-,25+,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-RGYUWNBKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14991" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103647" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103648 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-INVAMZEASA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14992" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103648" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103649 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H31F3N2O4S" ; chebi:inchi "InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17+,23+/m1/s1" ; chebi:inchikey "HABLAPXLJDLSLY-DGGJZMOXSA-N" ; chebi:mass "488.565" ; chebi:monoisotopicmass "488.19566" ; chebi:smiles "C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC" ; oboInOwl:hasDbXref "LINCS:LSM-14993" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103649" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide" . obo:CHEBI_10365 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22838 . _:b2111 rdf:type owl:Restriction . obo:CHEBI_10365 rdfs:subClassOf _:b2111 . _:b2111 owl:onProperty chebi2:is_tautomer_of ; owl:someValuesFrom obo:CHEBI_17233 . obo:CHEBI_10365 chebi:charge "0" ; chebi:formula "C20H22N2O3" ; chebi:inchi "InChI=1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,24H,8-9H2,1-3H3,(H,22,25)/t16-/m0/s1" ; chebi:inchikey "MVUXMIXDFMUPLL-INIZCTEOSA-N" ; chebi:mass "338.40036" ; chebi:monoisotopicmass "338.16304" ; chebi:smiles "[H][C@@]1(Cc2c[nH]c3cccc(CC=C(C)C)c23)NC(=O)C(C(C)=O)=C1O" ; oboInOwl:hasDbXref "CAS:31008-70-5" ; oboInOwl:hasDbXref "KEGG:C02899" ; oboInOwl:hasExactSynonym "(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(S)-3-acetyl-1,5-dihydro-4-hydroxy-5-((4-(3-methyl-2-butenyl)-1H-indol-3-yl)methyl)-2H-pyrrol-2-one" ; oboInOwl:hasRelatedSynonym "beta-Cyclopiazonate" ; oboInOwl:hasRelatedSynonym "beta-Cyclopiazonic acid" ; oboInOwl:hasRelatedSynonym "dehydrodisecocyclopiazonic acid" ; oboInOwl:id "CHEBI:10365" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one" . _:b2112 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:31008-70-5" ; rdfs:label "ChemIDplus" . _:b2113 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2114 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(S)-3-acetyl-1,5-dihydro-4-hydroxy-5-((4-(3-methyl-2-butenyl)-1H-indol-3-yl)methyl)-2H-pyrrol-2-one" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2115 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-Cyclopiazonate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2116 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-Cyclopiazonic acid" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2117 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10365 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dehydrodisecocyclopiazonic acid" ; oboInOwl:hasDbXref "ChemIDplus" . obo:CHEBI_103650 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H45N3O6" ; chebi:inchi "InChI=1S/C36H45N3O6/c1-25-22-39(26(2)24-40)36(43)31-21-30(37-34(41)28-14-7-5-8-15-28)18-19-32(31)45-27(3)13-11-12-20-44-33(25)23-38(4)35(42)29-16-9-6-10-17-29/h5-10,14-19,21,25-27,33,40H,11-13,20,22-24H2,1-4H3,(H,37,41)/t25-,26+,27-,33+/m0/s1" ; chebi:inchikey "ZQNJSJYLLBSSCW-LIHQSLCGSA-N" ; chebi:mass "615.760" ; chebi:monoisotopicmass "615.33084" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14994" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103650" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103651 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25-,26+,32-/m1/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-UOJGMACNSA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14995" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103651" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103652 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-SODQHWRNSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-14996" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103652" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103653 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H36N4O5" ; chebi:inchi "InChI=1S/C27H36N4O5/c1-6-9-25(32)29-20-11-12-23-21(14-20)26(33)30(4)16-24(35-5)18(2)15-31(19(3)17-36-23)27(34)22-10-7-8-13-28-22/h7-8,10-14,18-19,24H,6,9,15-17H2,1-5H3,(H,29,32)/t18-,19-,24+/m1/s1" ; chebi:inchikey "ZTXXWNNQGVNFQF-IECBHUPTSA-N" ; chebi:mass "496.600" ; chebi:monoisotopicmass "496.26857" ; chebi:smiles "CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=N3)C" ; oboInOwl:hasDbXref "LINCS:LSM-14997" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103653" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide" . obo:CHEBI_103654 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H47N5O5" ; chebi:inchi "InChI=1S/C35H47N5O5/c1-25-21-40(26(2)24-41)34(42)31-20-30(38-35(43)37-29-11-6-5-7-12-29)13-14-32(31)45-27(3)10-8-9-19-44-33(25)23-39(4)22-28-15-17-36-18-16-28/h5-7,11-18,20,25-27,33,41H,8-10,19,21-24H2,1-4H3,(H2,37,38,43)/t25-,26+,27-,33-/m0/s1" ; chebi:inchikey "LMYACBAJSFEPOG-IZPIQJOWSA-N" ; chebi:mass "617.780" ; chebi:monoisotopicmass "617.35772" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-14998" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103654" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_103655 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "STZYNHZFNFWBAK-INVAMZEASA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-14999" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103655" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103656 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24-,25+,30-/m0/s1" ; chebi:inchikey "GBDHSNMZLIRBLK-INVAMZEASA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15000" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103656" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103657 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23+,27+/m0/s1" ; chebi:inchikey "OXLKGXSDHBDOHC-IILZIBOQSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15001" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103657" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103658 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H49N5O6" ; chebi:inchi "InChI=1S/C33H49N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h7-9,13-16,18,22-25,30,39H,10-12,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "YYAGCQUXHYGTOT-UBRKHCEVSA-N" ; chebi:mass "611.773" ; chebi:monoisotopicmass "611.36828" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15002" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103658" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103659 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24+,25+,30-/m1/s1" ; chebi:inchikey "PLFJTCJSGHSPAZ-UBRKHCEVSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15003" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103659" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10366 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63347 ; chebi:charge "0" ; chebi:formula "C7H14O4" ; chebi:inchi "InChI=1S/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7-/m1/s1" ; chebi:inchikey "GOYBREOSJSERKM-DSYKOEDSSA-N" ; chebi:mass "162.18366" ; chebi:monoisotopicmass "162.08921" ; chebi:smiles "[H]C([H])(C=O)[C@]([H])(OC)[C@]([H])(O)[C@@]([H])(C)O" ; oboInOwl:hasDbXref "CAS:579-04-4" ; oboInOwl:hasDbXref "KEGG:C08234" ; oboInOwl:hasDbXref "KNApSAcK:C00001114" ; oboInOwl:hasExactSynonym "2,6-dideoxy-3-O-methyl-D-ribo-hexose" ; oboInOwl:hasExactSynonym "D-Cymarose" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2,6-Dideoxy-3-O-methyl-D-ribo-hexose" ; oboInOwl:hasRelatedSynonym "Cymarose" ; oboInOwl:id "CHEBI:10366" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "D-cymarose" . _:b2118 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10366 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:579-04-4" ; rdfs:label "KEGG COMPOUND" . _:b2119 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10366 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "2,6-dideoxy-3-O-methyl-D-ribo-hexose" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2120 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10366 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "D-Cymarose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2121 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10366 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2,6-Dideoxy-3-O-methyl-D-ribo-hexose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2122 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10366 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Cymarose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103660 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H48N4O6" ; chebi:inchi "InChI=1S/C33H48N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "JZEVKSWSVNZKOH-GBRARVNLSA-N" ; chebi:mass "596.759" ; chebi:monoisotopicmass "596.35739" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15004" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103660" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide" . obo:CHEBI_103661 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-32(41)35-27-15-16-29-28(18-27)31(40)38(24(4)21-39)19-23(3)30(43-17-11-10-12-25(5)44-29)20-37(6)33(42)36-26-13-8-7-9-14-26/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,36,42)(H2,34,35,41)/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "STZYNHZFNFWBAK-FJRSXGRASA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15005" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103661" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methylurea" . obo:CHEBI_103662 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29+/m0/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-APSVEGKFSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15006" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103662" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103663 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N5O6" ; chebi:inchi "InChI=1S/C30H51N5O6/c1-19(2)31-29(38)33-24-12-13-26-25(15-24)28(37)35(22(6)18-36)16-21(5)27(17-34(8)30(39)32-20(3)4)40-14-10-9-11-23(7)41-26/h12-13,15,19-23,27,36H,9-11,14,16-18H2,1-8H3,(H,32,39)(H2,31,33,38)/t21-,22-,23+,27-/m0/s1" ; chebi:inchikey "HPPNONYMLIWSNI-TZKYFUQOSA-N" ; chebi:mass "577.757" ; chebi:monoisotopicmass "577.38393" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15007" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103663" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_103664 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H45N3O7S" ; chebi:inchi "InChI=1S/C30H45N3O7S/c1-21-18-33(22(2)20-34)30(35)27-17-24(31-41(36,37)26-13-11-25(38-6)12-14-26)10-15-28(27)40-23(3)9-7-8-16-39-29(21)19-32(4)5/h10-15,17,21-23,29,31,34H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,29-/m0/s1" ; chebi:inchikey "IVNRRFOIDKKMKL-OJNHJINQSA-N" ; chebi:mass "591.761" ; chebi:monoisotopicmass "591.29782" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15008" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103664" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide" . obo:CHEBI_103665 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)34-26-14-15-28-27(18-26)31(40)37(24(4)21-38)19-23(3)29(42-17-10-9-12-25(5)43-28)20-36(8)30(39)13-11-16-35(6)7/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H2,33,34,41)/t23-,24-,25+,29+/m0/s1" ; chebi:inchikey "AIBBTECRVWULHH-RGYUWNBKSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15009" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103665" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide" . obo:CHEBI_103666 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H45N5O5" ; chebi:inchi "InChI=1S/C34H45N5O5/c1-24-20-39(25(2)23-40)34(42)30-19-29(37-33(41)28-12-16-36-17-13-28)8-9-31(30)44-26(3)7-5-6-18-43-32(24)22-38(4)21-27-10-14-35-15-11-27/h8-17,19,24-26,32,40H,5-7,18,20-23H2,1-4H3,(H,37,41)/t24-,25+,26+,32-/m0/s1" ; chebi:inchikey "ZCWFLIQXFDCFQH-GSDPCRBASA-N" ; chebi:mass "603.753" ; chebi:monoisotopicmass "603.34207" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15010" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103666" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103667 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H31ClN4O4" ; chebi:inchi "InChI=1S/C24H31ClN4O4/c1-15-12-26-16(2)14-33-21-11-17(27-24(31)28-20-8-6-5-7-19(20)25)9-10-18(21)23(30)29(3)13-22(15)32-4/h5-11,15-16,22,26H,12-14H2,1-4H3,(H2,27,28,31)/t15-,16+,22-/m1/s1" ; chebi:inchikey "VOCYCOKXIBOWBC-ZMPRRUGASA-N" ; chebi:mass "474.981" ; chebi:monoisotopicmass "474.20338" ; chebi:smiles "C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15011" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103667" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-chlorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea" . obo:CHEBI_103668 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H55N5O6" ; chebi:inchi "InChI=1S/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29+/m1/s1" ; chebi:inchikey "SUHZFPHQAJGSMY-ZTVFFDQVSA-N" ; chebi:mass "605.810" ; chebi:monoisotopicmass "605.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15012" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103668" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103669 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21+,28-/m1/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-DNPYRZTBSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15013" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103669" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_10367 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27672 ; owl:deprecated true . obo:CHEBI_103670 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H46ClN3O6S" ; chebi:inchi "InChI=1S/C31H46ClN3O6S/c1-6-16-34(5)20-30-22(2)19-35(23(3)21-36)31(37)28-18-26(33-42(38,39)27-13-10-25(32)11-14-27)12-15-29(28)41-24(4)9-7-8-17-40-30/h10-15,18,22-24,30,33,36H,6-9,16-17,19-21H2,1-5H3/t22-,23-,24+,30-/m1/s1" ; chebi:inchikey "XCNKIYRWXFRDDY-HTWFIQDWSA-N" ; chebi:mass "624.234" ; chebi:monoisotopicmass "623.27959" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15014" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103670" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide" . obo:CHEBI_103671 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19+,26-/m1/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-UYXZNNOOSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15015" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103671" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103672 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26+/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-YPCDYVTLSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15016" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103672" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103673 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23+/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YCRNBWNJSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15017" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103673" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103674 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H30N2O4S" ; chebi:inchi "InChI=1S/C20H30N2O4S/c1-14-12-22(15(2)13-23)27(24,25)20-9-8-17(16-6-4-5-7-16)10-18(20)26-19(14)11-21-3/h6,8-10,14-15,19,21,23H,4-5,7,11-13H2,1-3H3/t14-,15+,19+/m1/s1" ; chebi:inchikey "DIFJFYXOESTABI-VCBZYWHSSA-N" ; chebi:mass "394.530" ; chebi:monoisotopicmass "394.19263" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15018" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103674" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103675 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H50N4O5" ; chebi:inchi "InChI=1S/C29H50N4O5/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)38-23(3)11-8-9-16-37-27(21)19-32(6)7/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22+,23-,27-/m1/s1" ; chebi:inchikey "LTGDTYHJVMKPBL-QSGNWFJVSA-N" ; chebi:mass "534.732" ; chebi:monoisotopicmass "534.37812" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15019" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103675" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103676 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)32(39)28-17-27(34-31(38)26-12-14-33-15-13-26)10-11-29(28)41-24(3)7-5-6-16-40-30(22)20-35(4)19-25-8-9-25/h10-15,17,22-25,30,37H,5-9,16,18-21H2,1-4H3,(H,34,38)/t22-,23+,24-,30+/m1/s1" ; chebi:inchikey "YDCDOYMHDVYTIM-IFVFNEAISA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-15020" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103676" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103677 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H40N4O5" ; chebi:inchi "InChI=1S/C28H40N4O5/c1-19-17-32(20(2)18-33)28(35)24-15-23(31-27(34)22-10-12-30-13-11-22)8-9-25(24)37-21(3)7-5-6-14-36-26(19)16-29-4/h8-13,15,19-21,26,29,33H,5-7,14,16-18H2,1-4H3,(H,31,34)/t19-,20-,21-,26-/m0/s1" ; chebi:inchikey "UGHRLCJQQBYBPV-JYEBCORGSA-N" ; chebi:mass "512.642" ; chebi:monoisotopicmass "512.29987" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15021" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103677" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103678 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29-/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-RWJVBYDYSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15022" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103678" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103679 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H44N4O7" ; chebi:inchi "InChI=1S/C31H44N4O7/c1-20-16-35(21(2)18-36)30(37)25-14-23(32-31(38)33-24-10-12-27-28(15-24)41-19-40-27)9-11-26(25)42-22(3)8-6-7-13-39-29(20)17-34(4)5/h9-12,14-15,20-22,29,36H,6-8,13,16-19H2,1-5H3,(H2,32,33,38)/t20-,21-,22+,29+/m0/s1" ; chebi:inchikey "BFYBBBSDVFDXJC-ZMROOPMESA-N" ; chebi:mass "584.705" ; chebi:monoisotopicmass "584.32100" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15023" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103679" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_10368 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_63343 ; chebi:charge "0" ; chebi:formula "C7H14O5" ; chebi:inchi "InChI=1S/C7H14O5/c1-4(9)6(11)7(12-2)5(10)3-8/h3-7,9-11H,1-2H3/t4-,5+,6+,7-/m1/s1" ; chebi:inchikey "MPQBLCRFUYGBHE-JRTVQGFMSA-N" ; chebi:mass "178.18306" ; chebi:monoisotopicmass "178.08412" ; chebi:smiles "[H][C@](C)(O)[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(O)C=O" ; oboInOwl:hasDbXref "CAS:4481-08-7" ; oboInOwl:hasDbXref "KEGG:C08235" ; oboInOwl:hasDbXref "KNApSAcK:C00001116" ; oboInOwl:hasExactSynonym "6-deoxy-3-O-methyl-D-galactose" ; oboInOwl:hasExactSynonym "Digitalose" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "beta-D-Digitalopyranose" ; oboInOwl:id "CHEBI:10368" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "digitalose" . _:b2123 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10368 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:4481-08-7" ; rdfs:label "ChemIDplus" . _:b2124 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10368 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:4481-08-7" ; rdfs:label "KEGG COMPOUND" . _:b2125 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10368 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-deoxy-3-O-methyl-D-galactose" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2126 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10368 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "Digitalose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2127 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10368 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-D-Digitalopyranose" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103680 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-SELNLUPBSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15024" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103680" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103681 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YDHSSHFGSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15025" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103681" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103682 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-DFIYOIEZSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15026" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103682" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103683 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C26H45N3O6S" ; chebi:inchi "InChI=1S/C26H45N3O6S/c1-7-13-28(5)17-25-19(2)16-29(20(3)18-30)26(31)23-15-22(27-36(6,32)33)11-12-24(23)35-21(4)10-8-9-14-34-25/h11-12,15,19-21,25,27,30H,7-10,13-14,16-18H2,1-6H3/t19-,20-,21-,25+/m1/s1" ; chebi:inchikey "ZOEMVRGQCOXOOR-YCFYUYSTSA-N" ; chebi:mass "527.719" ; chebi:monoisotopicmass "527.30291" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15027" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103683" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103684 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27-/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-ISCCLHIJSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15028" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103684" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103685 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N5O6S" ; chebi:inchi "InChI=1S/C29H47N5O6S/c1-7-13-32(5)17-27-21(2)16-34(22(3)19-35)29(36)25-15-24(31-41(37,38)28-18-33(6)20-30-28)11-12-26(25)40-23(4)10-8-9-14-39-27/h11-12,15,18,20-23,27,31,35H,7-10,13-14,16-17,19H2,1-6H3/t21-,22-,23+,27+/m0/s1" ; chebi:inchikey "IKHNOPCXKIAMPI-OJXRJRMYSA-N" ; chebi:mass "593.781" ; chebi:monoisotopicmass "593.32471" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15029" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103685" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide" . obo:CHEBI_103686 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27+/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-NOMHHCBYSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15030" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103686" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103687 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21-,27+/m1/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-RBZJZWSTSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15031" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103687" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_103688 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46N4O7S" ; chebi:inchi "InChI=1S/C29H46N4O7S/c1-19-16-33(20(2)18-34)29(35)25-15-24(31(6)7)12-13-26(25)39-21(3)11-9-10-14-38-27(19)17-32(8)41(36,37)28-22(4)30-40-23(28)5/h12-13,15,19-21,27,34H,9-11,14,16-18H2,1-8H3/t19-,20+,21+,27+/m1/s1" ; chebi:inchikey "PQVSIMSGGSSCRI-GMAGDTKFSA-N" ; chebi:mass "594.765" ; chebi:monoisotopicmass "594.30872" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=C(ON=C3C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15032" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103688" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide" . obo:CHEBI_103689 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C30H33F3N4O4" ; chebi:inchi "InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)24-5-4-6-25(35-28(39)22-11-13-34-14-12-22)27(24)41-26(19)17-36(3)16-21-7-9-23(10-8-21)30(31,32)33/h4-14,19-20,26,38H,15-18H2,1-3H3,(H,35,39)/t19-,20-,26+/m0/s1" ; chebi:inchikey "KEFKPOALKIRQIF-CUVVAGTFSA-N" ; chebi:mass "570.604" ; chebi:monoisotopicmass "570.24539" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15033" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103689" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide" . obo:CHEBI_10369 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16703 ; owl:deprecated true . obo:CHEBI_103690 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C32H47N3O5" ; chebi:inchi "InChI=1S/C32H47N3O5/c1-23-20-35(24(2)22-36)32(38)28-19-27(33(4)5)15-16-29(28)40-25(3)12-10-11-17-39-30(23)21-34(6)31(37)18-26-13-8-7-9-14-26/h7-9,13-16,19,23-25,30,36H,10-12,17-18,20-22H2,1-6H3/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "ZGCRSIABJPRXFC-SODQHWRNSA-N" ; chebi:mass "553.734" ; chebi:monoisotopicmass "553.35157" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15034" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103690" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide" . obo:CHEBI_103691 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-14-12-25(15(2)13-26)22(27)19-9-17(16-5-7-18(28-4)8-6-16)10-24-21(19)29-20(14)11-23-3/h5-10,14-15,20,23,26H,11-13H2,1-4H3/t14-,15+,20+/m0/s1" ; chebi:inchikey "KUOLKNDJLDMVPT-BXTJHSDWSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)OC)O[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15035" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103691" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103692 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H39N5O4" ; chebi:inchi "InChI=1S/C28H39N5O4/c1-19-15-33(20(2)18-34)28(36)22-10-7-11-23(31-27(35)24-14-29-12-13-30-24)26(22)37-25(19)17-32(3)16-21-8-5-4-6-9-21/h7,10-14,19-21,25,34H,4-6,8-9,15-18H2,1-3H3,(H,31,35)/t19-,20+,25-/m0/s1" ; chebi:inchikey "QUBNYOYZPRCGDK-DFIYOIEZSA-N" ; chebi:mass "509.641" ; chebi:monoisotopicmass "509.30020" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15036" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103692" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103693 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26-/m0/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-WOVHNISZSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15037" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103693" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103694 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23+/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-MSYCTHLASA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15038" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103694" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103695 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25-/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-OHUGHZGNSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15039" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103695" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103696 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25-,26+,33-/m1/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-BEXWAKDESA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasDbXref "LINCS:LSM-15040" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103696" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103697 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m0/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-BALWLHIASA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15041" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103697" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103698 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C28H38N4O3" ; chebi:inchi "InChI=1S/C28H38N4O3/c1-20-9-7-10-24(13-20)17-31(6)18-26-21(2)16-32(22(3)19-33)28(34)25-14-23(11-8-12-30(4)5)15-29-27(25)35-26/h7,9-10,13-15,21-22,26,33H,12,16-19H2,1-6H3/t21-,22+,26-/m0/s1" ; chebi:inchikey "ULRIVBOCOZEEJW-VRUMLPLGSA-N" ; chebi:mass "478.627" ; chebi:monoisotopicmass "478.29439" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CN(C)CC3=CC=CC(=C3)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15042" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103698" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103699 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O5S" ; chebi:inchi "InChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(30,31)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-27(3)16-21-10-12-32-13-11-21/h6,8-9,14,19-21,25,29H,4-5,7,10-13,15-18H2,1-3H3/t19-,20-,25+/m0/s1" ; chebi:inchikey "WLSSZJWPMNLWIC-ZYLNGJIFSA-N" ; chebi:mass "492.673" ; chebi:monoisotopicmass "492.26579" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15043" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103699" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_1037 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17605 ; owl:deprecated true . obo:CHEBI_10370 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24111 ; rdfs:subClassOf obo:CHEBI_36233 ; chebi:charge "0" ; chebi:formula "C6H11O6R" ; chebi:mass "179.148" ; chebi:monoisotopicmass "179.05556" ; oboInOwl:hasDbXref "KEGG:C03437" ; oboInOwl:hasExactSynonym "beta-D-Fructofuranoside" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "beta-D-fructofuranosides" ; oboInOwl:id "CHEBI:10370" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-D-fructofuranoside" . _:b2128 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10370 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-D-Fructofuranoside" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2129 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10370 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "beta-D-fructofuranosides" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103700 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "GQEOHDGNFBZEER-YYDVJCTNSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15044" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103700" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103701 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-FHAGJXEFSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15045" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103701" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103702 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O5S" ; chebi:inchi "InChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(30,31)26-9-8-23(22-6-4-5-7-22)14-24(26)33-25(19)17-27(3)16-21-10-12-32-13-11-21/h6,8-9,14,19-21,25,29H,4-5,7,10-13,15-18H2,1-3H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "WLSSZJWPMNLWIC-UMEGOILYSA-N" ; chebi:mass "492.673" ; chebi:monoisotopicmass "492.26579" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15046" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103702" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5S)-8-(1-cyclopentenyl)-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103703 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27+/m1/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-BUEREQSYSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15047" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103703" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103704 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27-/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-IZVMNLJQSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15048" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103704" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103705 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H47N3O4" ; chebi:inchi "InChI=1S/C31H47N3O4/c1-23-19-34(24(2)22-35)31(36)28-18-27(32(4)5)15-16-29(28)38-25(3)12-10-11-17-37-30(23)21-33(6)20-26-13-8-7-9-14-26/h7-9,13-16,18,23-25,30,35H,10-12,17,19-22H2,1-6H3/t23-,24+,25-,30-/m1/s1" ; chebi:inchikey "OPCOPDBCCFUTHV-FJRSXGRASA-N" ; chebi:mass "525.724" ; chebi:monoisotopicmass "525.35666" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15049" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103705" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one" . obo:CHEBI_103706 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O5" ; chebi:inchi "InChI=1S/C30H49N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23-,28-/m1/s1" ; chebi:inchikey "VTJNXDUZLOWMHH-TZTMDHJLSA-N" ; chebi:mass "531.728" ; chebi:monoisotopicmass "531.36722" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15050" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103706" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103707 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27+/m0/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-FYQCMVGJSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103707" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103708 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_140325 ; rdfs:subClassOf obo:CHEBI_140326 ; rdfs:subClassOf obo:CHEBI_38314 ; chebi:charge "0" ; chebi:formula "C28H39N5O4" ; chebi:inchi "InChI=1S/C28H39N5O4/c1-19-15-33(20(2)18-34)28(36)22-10-7-11-23(31-27(35)24-14-29-12-13-30-24)26(22)37-25(19)17-32(3)16-21-8-5-4-6-9-21/h7,10-14,19-21,25,34H,4-6,8-9,15-18H2,1-3H3,(H,31,35)/t19-,20+,25-/m1/s1" ; chebi:inchikey "QUBNYOYZPRCGDK-OHUGHZGNSA-N" ; chebi:mass "509.641" ; chebi:monoisotopicmass "509.30020" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15052" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103708" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide" . obo:CHEBI_103709 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H49N3O5" ; chebi:inchi "InChI=1S/C30H49N3O5/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-32(4)5/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22+,23-,28-/m0/s1" ; chebi:inchikey "VTJNXDUZLOWMHH-KYALDGGBSA-N" ; chebi:mass "531.728" ; chebi:monoisotopicmass "531.36722" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15053" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103709" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_10371 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28586 ; owl:deprecated true . obo:CHEBI_103710 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H48N4O5" ; chebi:inchi "InChI=1S/C35H48N4O5/c1-24-21-39(25(2)23-40)34(41)30-20-28(37(4)5)17-18-32(30)44-26(3)12-9-10-19-43-33(24)22-38(6)35(42)36-31-16-11-14-27-13-7-8-15-29(27)31/h7-8,11,13-18,20,24-26,33,40H,9-10,12,19,21-23H2,1-6H3,(H,36,42)/t24-,25+,26+,33-/m1/s1" ; chebi:inchikey "UBYZDEGPUXBRQE-PHAQOQMTSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.36247" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasDbXref "LINCS:LSM-15054" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103710" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103711 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C27H35N3O4" ; chebi:inchi "InChI=1S/C27H35N3O4/c1-6-13-29(4)17-25-19(2)16-30(20(3)18-31)27(32)23-14-21(15-28-26(23)34-25)11-12-22-9-7-8-10-24(22)33-5/h7-10,14-15,19-20,25,31H,6,13,16-18H2,1-5H3/t19-,20+,25-/m0/s1" ; chebi:inchikey "CXNSNJNJSOSVDN-DFIYOIEZSA-N" ; chebi:mass "465.586" ; chebi:monoisotopicmass "465.26276" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(O1)N=CC(=C2)C#CC3=CC=CC=C3OC)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15055" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103711" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103712 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C20H30N4O3" ; chebi:inchi "InChI=1S/C20H30N4O3/c1-14-12-24(15(2)13-25)20(26)17-9-16(7-6-8-23(4)5)10-22-19(17)27-18(14)11-21-3/h9-10,14-15,18,21,25H,8,11-13H2,1-5H3/t14-,15+,18-/m0/s1" ; chebi:inchikey "QMNNXCXXHUAUDR-DAYGRLMNSA-N" ; chebi:mass "374.478" ; chebi:monoisotopicmass "374.23179" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15056" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103712" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103713 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21-,26-/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-IPVFLDMMSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15057" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103713" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103714 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H26FN3O3" ; chebi:inchi "InChI=1S/C21H26FN3O3/c1-13-11-25(14(2)12-26)21(27)17-8-15(16-6-4-5-7-18(16)22)9-24-20(17)28-19(13)10-23-3/h4-9,13-14,19,23,26H,10-12H2,1-3H3/t13-,14-,19-/m1/s1" ; chebi:inchikey "SHRVDEFCKQVYRH-PJIJBLCYSA-N" ; chebi:mass "387.449" ; chebi:monoisotopicmass "387.19582" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15058" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103714" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103715 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H39N3O4" ; chebi:inchi "InChI=1S/C28H39N3O4/c1-19-15-31(20(2)18-32)28(33)25-13-23(22-10-7-11-24(12-22)34-4)14-29-27(25)35-26(19)17-30(3)16-21-8-5-6-9-21/h7,10-14,19-21,26,32H,5-6,8-9,15-18H2,1-4H3/t19-,20-,26+/m0/s1" ; chebi:inchikey "IDUFABHFDSGNRC-CUVVAGTFSA-N" ; chebi:mass "481.628" ; chebi:monoisotopicmass "481.29406" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)O[C@@H]1CN(C)CC4CCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15059" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103715" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103716 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C21H26FN3O3" ; chebi:inchi "InChI=1S/C21H26FN3O3/c1-13-11-25(14(2)12-26)21(27)17-8-15(16-6-4-5-7-18(16)22)9-24-20(17)28-19(13)10-23-3/h4-9,13-14,19,23,26H,10-12H2,1-3H3/t13-,14-,19-/m0/s1" ; chebi:inchikey "SHRVDEFCKQVYRH-NJSLBKSFSA-N" ; chebi:mass "387.449" ; chebi:monoisotopicmass "387.19582" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15060" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103716" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103717 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C35H54N4O5" ; chebi:inchi "InChI=1S/C35H54N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h7-9,14-15,17-18,21,26-28,33,40H,10-13,16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28-,33-/m1/s1" ; chebi:inchikey "YHPMBPSGDQLXHP-LSBIRFPWSA-N" ; chebi:mass "610.828" ; chebi:monoisotopicmass "610.40942" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCCN(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15061" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103717" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(dimethylamino)-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103718 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22712 ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_38777 ; chebi:charge "0" ; chebi:formula "C25H23N3OS" ; chebi:inchi "InChI=1S/C25H23N3OS/c26-14-22-24(20-12-10-18(11-13-20)17-6-4-5-7-17)23(15-29)28(22)25-27-21(16-30-25)19-8-2-1-3-9-19/h1-3,6,8-13,16,22-24,29H,4-5,7,15H2/t22-,23+,24-/m1/s1" ; chebi:inchikey "YWUOOJZCEOJKLU-TZRRMPRUSA-N" ; chebi:mass "413.537" ; chebi:monoisotopicmass "413.15618" ; chebi:smiles "C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15062" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103718" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile" . obo:CHEBI_103719 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22+,27+/m1/s1" ; chebi:inchikey "VXDFRUAWHFSTRR-VHSZZVNMSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15063" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103719" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_10372 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28782 ; owl:deprecated true . obo:CHEBI_103720 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26+/m0/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-LZJCXSABSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15064" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103720" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103721 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C27H40N2O6S" ; chebi:inchi "InChI=1S/C27H40N2O6S/c1-19-16-29(20(2)18-30)36(32,33)26-10-9-23(21-7-5-4-6-8-21)15-24(26)35-25(19)17-28(3)27(31)22-11-13-34-14-12-22/h7,9-10,15,19-20,22,25,30H,4-6,8,11-14,16-18H2,1-3H3/t19-,20-,25+/m1/s1" ; chebi:inchikey "QGQQAQHDJARTFG-FHAGJXEFSA-N" ; chebi:mass "520.683" ; chebi:monoisotopicmass "520.26071" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15065" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103721" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-4-oxanecarboxamide" . obo:CHEBI_103722 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,28+/m1/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-MJXLQBTOSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15066" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103722" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103723 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20-,25-/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-UMEGOILYSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15067" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103723" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-8-(1-cyclohexenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103724 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H36N4O4" ; chebi:inchi "InChI=1S/C28H36N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-23(22-7-5-4-6-8-22)15-30-27(24)36-25(19)17-31(3)26(34)13-21-9-11-29-12-10-21/h7,9-12,14-15,19-20,25,33H,4-6,8,13,16-18H2,1-3H3/t19-,20+,25+/m1/s1" ; chebi:inchikey "ZECMXSZSTQYLBY-RNHFSVANSA-N" ; chebi:mass "492.611" ; chebi:monoisotopicmass "492.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15068" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103724" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3R)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide" . obo:CHEBI_103725 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H31FN4O3" ; chebi:inchi "InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21-,27+/m1/s1" ; chebi:inchikey "XTWZIVUPDNYJMX-GNMOFYLKSA-N" ; chebi:mass "502.581" ; chebi:monoisotopicmass "502.23802" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15069" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103725" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103726 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26+/m1/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-UDCNLSRBSA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15070" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103726" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103727 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C24H38N2O4S" ; chebi:inchi "InChI=1S/C24H38N2O4S/c1-5-13-25(4)16-23-18(2)15-26(19(3)17-27)31(28,29)24-12-11-21(14-22(24)30-23)20-9-7-6-8-10-20/h9,11-12,14,18-19,23,27H,5-8,10,13,15-17H2,1-4H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "GQEOHDGNFBZEER-DNVFCKCGSA-N" ; chebi:mass "450.637" ; chebi:monoisotopicmass "450.25523" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCCC3)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15071" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103727" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5S)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103728 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H47N3O5" ; chebi:inchi "InChI=1S/C29H47N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h13-14,16,20-23,27,30,33H,5-12,15,17-19H2,1-4H3,(H,31,34)/t20-,21+,22+,27+/m0/s1" ; chebi:inchikey "JMPHEZKYQLUQMM-HRGDABNKSA-N" ; chebi:mass "517.702" ; chebi:monoisotopicmass "517.35157" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15072" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103728" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide" . obo:CHEBI_103729 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H55N5O6" ; chebi:inchi "InChI=1S/C33H55N5O6/c1-22(2)34-33(42)37(6)20-30-23(3)19-38(24(4)21-39)31(40)28-18-27(36-32(41)35-26-13-8-7-9-14-26)15-16-29(28)44-25(5)12-10-11-17-43-30/h15-16,18,22-26,30,39H,7-14,17,19-21H2,1-6H3,(H,34,42)(H2,35,36,41)/t23-,24+,25+,30+/m0/s1" ; chebi:inchikey "RSKGZFLSRBPJST-RZDWVWPCSA-N" ; chebi:mass "617.821" ; chebi:monoisotopicmass "617.41523" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15073" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103729" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(3R,9S,10S)-16-[[(cyclohexylamino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea" . obo:CHEBI_10373 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28645 ; owl:deprecated true . obo:CHEBI_103730 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C30H38N4O4" ; chebi:inchi "InChI=1S/C30H38N4O4/c1-20-17-34(21(2)19-35)29(36)16-23-15-24(32(3)4)13-14-27(23)38-28(20)18-33(5)30(37)31-26-12-8-10-22-9-6-7-11-25(22)26/h6-15,20-21,28,35H,16-19H2,1-5H3,(H,31,37)/t20-,21+,28-/m1/s1" ; chebi:inchikey "LGBCOYKUVBENAF-PHVLTXCSSA-N" ; chebi:mass "518.648" ; chebi:monoisotopicmass "518.28931" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15074" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103730" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea" . obo:CHEBI_103731 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H50N4O5" ; chebi:inchi "InChI=1S/C33H50N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h7-9,13-16,18,23-26,31,38H,10-12,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26-,31-/m0/s1" ; chebi:inchikey "SIHQACFNVCTPOW-XZSHTLEFSA-N" ; chebi:mass "582.775" ; chebi:monoisotopicmass "582.37812" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15075" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103731" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103732 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24+,25-,30-/m0/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-SODQHWRNSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15076" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103732" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_103733 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C26H42N4O4" ; chebi:inchi "InChI=1S/C26H42N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h11-13,18-19,21,24,31H,6-10,14-17H2,1-5H3,(H,27,33)/t18-,19+,24-/m1/s1" ; chebi:inchikey "NUQLUNTVVQHOLK-YDIMBITNSA-N" ; chebi:mass "474.637" ; chebi:monoisotopicmass "474.32061" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15077" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103733" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103734 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C26H36N4O4" ; chebi:inchi "InChI=1S/C26H36N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h6-13,18-19,24,31H,14-17H2,1-5H3,(H,27,33)/t18-,19-,24-/m1/s1" ; chebi:inchikey "QJWSWWKQIHLYJD-KHCICDEESA-N" ; chebi:mass "468.589" ; chebi:monoisotopicmass "468.27366" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=CC=C3)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15078" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103734" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea" . obo:CHEBI_103735 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23665 ; rdfs:subClassOf obo:CHEBI_50996 ; chebi:charge "0" ; chebi:formula "C23H33N3O5S2" ; chebi:inchi "InChI=1S/C23H33N3O5S2/c1-16-13-26(17(2)15-27)22(28)12-18-11-19(24(3)4)8-9-20(18)31-21(16)14-25(5)33(29,30)23-7-6-10-32-23/h6-11,16-17,21,27H,12-15H2,1-5H3/t16-,17+,21-/m1/s1" ; chebi:inchikey "AXGDQZYYEHOPOR-LLGFUMIMSA-N" ; chebi:mass "495.658" ; chebi:monoisotopicmass "495.18616" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CS3)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15079" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103735" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide" . obo:CHEBI_103736 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H35F3N4O4" ; chebi:inchi "InChI=1S/C27H35F3N4O4/c1-17-14-34(18(2)16-35)25(36)13-19-12-22(32(3)4)10-11-23(19)38-24(17)15-33(5)26(37)31-21-8-6-20(7-9-21)27(28,29)30/h6-12,17-18,24,35H,13-16H2,1-5H3,(H,31,37)/t17-,18-,24-/m1/s1" ; chebi:inchikey "HTAOZDWNFXTPJO-QZTZHPFYSA-N" ; chebi:mass "536.587" ; chebi:monoisotopicmass "536.26104" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15080" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103736" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103737 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C35H43N5O5" ; chebi:inchi "InChI=1S/C35H43N5O5/c1-22-18-40(23(2)21-41)33(42)17-27-16-28(37-34(43)26-12-13-26)14-15-31(27)45-32(22)20-39(3)19-24-8-10-25(11-9-24)35(44)38-30-7-5-4-6-29(30)36/h4-11,14-16,22-23,26,32,41H,12-13,17-21,36H2,1-3H3,(H,37,43)(H,38,44)/t22-,23+,32-/m1/s1" ; chebi:inchikey "YCMQTTLPFMFYTR-MEYXWREJSA-N" ; chebi:mass "613.748" ; chebi:monoisotopicmass "613.32642" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15081" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103737" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-aminophenyl)-4-[[[(2S,3R)-9-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide" . obo:CHEBI_103738 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H35N5O6" ; chebi:inchi "InChI=1S/C24H35N5O6/c1-17-13-28(18(2)15-30)23(31)6-5-11-29-19(12-25-26-29)16-34-22(17)14-27(3)24(32)35-21-9-7-20(33-4)8-10-21/h7-10,12,17-18,22,30H,5-6,11,13-16H2,1-4H3/t17-,18-,22-/m1/s1" ; chebi:inchikey "DYYSINDAYMXOAQ-JBYIUTFZSA-N" ; chebi:mass "489.566" ; chebi:monoisotopicmass "489.25873" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)OC3=CC=C(C=C3)OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15082" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103738" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid (4-methoxyphenyl) ester" . obo:CHEBI_103739 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C25H37N5O5" ; chebi:inchi "InChI=1S/C25H37N5O5/c1-18-13-29(19(2)16-31)25(32)5-4-8-30-21(12-26-27-30)17-35-24(18)15-28(3)14-20-6-7-22-23(11-20)34-10-9-33-22/h6-7,11-12,18-19,24,31H,4-5,8-10,13-17H2,1-3H3/t18-,19-,24+/m1/s1" ; chebi:inchikey "KKGFASYBCNAVFA-IECBHUPTSA-N" ; chebi:mass "487.593" ; chebi:monoisotopicmass "487.27947" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC4=C(C=C3)OCCO4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15083" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103739" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9R)-9-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_10374 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28013 ; owl:deprecated true . obo:CHEBI_103740 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C23H35N5O4" ; chebi:inchi "InChI=1S/C23H35N5O4/c1-17-12-27(18(2)15-29)23(31)5-4-10-28-20(11-24-25-28)16-32-22(17)14-26(3)13-19-6-8-21(30)9-7-19/h6-9,11,17-18,22,29-30H,4-5,10,12-16H2,1-3H3/t17-,18-,22-/m1/s1" ; chebi:inchikey "QPXXSBPXMIWUTR-JBYIUTFZSA-N" ; chebi:mass "445.556" ; chebi:monoisotopicmass "445.26890" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)O)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15084" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103740" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9S)-9-[[(4-hydroxyphenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_103741 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C28H43N3O4" ; chebi:inchi "InChI=1S/C28H43N3O4/c1-19-15-31(20(2)18-32)27(33)14-23-13-24(29-28(34)22-7-5-4-6-8-22)11-12-25(23)35-26(19)17-30(3)16-21-9-10-21/h11-13,19-22,26,32H,4-10,14-18H2,1-3H3,(H,29,34)/t19-,20+,26+/m1/s1" ; chebi:inchikey "OICFVEIUUNSOQD-GOHWNWGWSA-N" ; chebi:mass "485.660" ; chebi:monoisotopicmass "485.32536" ; chebi:smiles "C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15085" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103741" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide" . obo:CHEBI_103742 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C28H35N3O6" ; chebi:inchi "InChI=1S/C28H35N3O6/c1-17-12-31(18(2)15-32)28(34)22-11-21(29-27(33)20-5-6-20)7-9-23(22)37-26(17)14-30(3)13-19-4-8-24-25(10-19)36-16-35-24/h4,7-11,17-18,20,26,32H,5-6,12-16H2,1-3H3,(H,29,33)/t17-,18+,26+/m1/s1" ; chebi:inchikey "BTLFULALILTTIG-ZENTWMBTSA-N" ; chebi:mass "509.595" ; chebi:monoisotopicmass "509.25259" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15086" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103742" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide" . obo:CHEBI_103743 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C28H36N4O6S" ; chebi:inchi "InChI=1S/C28H36N4O6S/c1-18-14-32(19(2)17-33)28(35)23-13-21(10-11-25(23)38-26(18)16-31(4)39(5,36)37)29-27(34)12-20-15-30(3)24-9-7-6-8-22(20)24/h6-11,13,15,18-19,26,33H,12,14,16-17H2,1-5H3,(H,29,34)/t18-,19+,26+/m1/s1" ; chebi:inchikey "VGRSZYTVZUQTAY-MVYHEMRASA-N" ; chebi:mass "556.676" ; chebi:monoisotopicmass "556.23556" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15087" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103743" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide" . obo:CHEBI_103744 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30-/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-NOUQMAPCSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15088" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103744" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103745 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21+,30+/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-KSWJDTNCSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15089" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103745" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103746 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30+/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-FNFPNEPISA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15090" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103746" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103747 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m1/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-URCPOSBSSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15091" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103747" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103748 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H38N4O7" ; chebi:inchi "InChI=1S/C32H38N4O7/c1-20-15-36(21(2)18-37)31(38)26-14-24(34-32(39)33-23-6-9-25(40-4)10-7-23)8-12-27(26)43-30(20)17-35(3)16-22-5-11-28-29(13-22)42-19-41-28/h5-14,20-21,30,37H,15-19H2,1-4H3,(H2,33,34,39)/t20-,21-,30-/m0/s1" ; chebi:inchikey "NGRSXEMLDRQNMH-LPBFERMMSA-N" ; chebi:mass "590.668" ; chebi:monoisotopicmass "590.27405" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15092" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103748" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103749 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O4S" ; chebi:inchi "InChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25+/m0/s1" ; chebi:inchikey "LJUASEIATGHWBE-BPYKYCOYSA-N" ; chebi:mass "476.674" ; chebi:monoisotopicmass "476.27088" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CCC3CCCC3)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15093" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103749" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_10375 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16084 ; owl:deprecated true . obo:CHEBI_103750 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C25H38N2O5S" ; chebi:inchi "InChI=1S/C25H38N2O5S/c1-5-9-20-12-13-24-22(14-20)32-23(16-26(4)25(29)21-10-7-6-8-11-21)18(2)15-27(19(3)17-28)33(24,30)31/h5,9,12-14,18-19,21,23,28H,6-8,10-11,15-17H2,1-4H3/t18-,19+,23-/m1/s1" ; chebi:inchikey "DIUXSDCPAZQGFR-SELNLUPBSA-N" ; chebi:mass "478.647" ; chebi:monoisotopicmass "478.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)C(=O)C3CCCCC3)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15094" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103750" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15094" . obo:CHEBI_103751 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31-/m1/s1" ; chebi:inchikey "STYUMYTXFXXJJW-UMLQYNHOSA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-15095" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103751" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_103752 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H42N4O7" ; chebi:inchi "InChI=1S/C30H42N4O7/c1-19-16-34(20(2)17-35)29(36)24-13-22(32-30(37)33-23-9-11-26-27(14-23)40-18-39-26)8-10-25(24)41-21(3)7-5-6-12-38-28(19)15-31-4/h8-11,13-14,19-21,28,31,35H,5-7,12,15-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,28+/m0/s1" ; chebi:inchikey "DZFCVSNNMFSZPA-MLWROCFZSA-N" ; chebi:mass "570.678" ; chebi:monoisotopicmass "570.30535" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15096" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103752" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103753 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C24H34F3N5O3" ; chebi:inchi "InChI=1S/C24H34F3N5O3/c1-17-12-31(18(2)15-33)23(34)5-4-10-32-21(11-28-29-32)16-35-22(17)14-30(3)13-19-6-8-20(9-7-19)24(25,26)27/h6-9,11,17-18,22,33H,4-5,10,12-16H2,1-3H3/t17-,18+,22+/m1/s1" ; chebi:inchikey "DMKVVNQLOZTLAB-FGSXEWAUSA-N" ; chebi:mass "497.555" ; chebi:monoisotopicmass "497.26137" ; chebi:smiles "C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15097" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103753" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one" . obo:CHEBI_103754 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C34H52N4O6" ; chebi:inchi "InChI=1S/C34H52N4O6/c1-23(2)35-34(41)36-28-13-16-31-30(18-28)33(40)38(25(4)22-39)19-24(3)32(43-17-9-8-10-26(5)44-31)21-37(6)20-27-11-14-29(42-7)15-12-27/h11-16,18,23-26,32,39H,8-10,17,19-22H2,1-7H3,(H2,35,36,41)/t24-,25+,26-,32+/m0/s1" ; chebi:inchikey "JCVAFPCEYZSYDX-ZVJSOJQNSA-N" ; chebi:mass "612.801" ; chebi:monoisotopicmass "612.38869" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15098" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103754" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea" . obo:CHEBI_103755 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28-/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-PHVLTXCSSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15099" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103755" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103756 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C18H28N2O4S" ; chebi:inchi "InChI=1S/C18H28N2O4S/c1-5-6-15-7-8-18-16(9-15)24-17(10-19-4)13(2)11-20(14(3)12-21)25(18,22)23/h5-9,13-14,17,19,21H,10-12H2,1-4H3/t13-,14+,17+/m0/s1" ; chebi:inchikey "NUVSEORICCJOQH-JJRVBVJISA-N" ; chebi:mass "368.493" ; chebi:monoisotopicmass "368.17698" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@H](O2)CNC)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15100" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103756" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15100" . obo:CHEBI_103757 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C36H48N4O5" ; chebi:inchi "InChI=1S/C36H48N4O5/c1-26-22-40(27(2)25-41)36(43)32-21-31(38-35(42)20-29-11-6-5-7-12-29)13-14-33(32)45-28(3)10-8-9-19-44-34(26)24-39(4)23-30-15-17-37-18-16-30/h5-7,11-18,21,26-28,34,41H,8-10,19-20,22-25H2,1-4H3,(H,38,42)/t26-,27-,28+,34+/m1/s1" ; chebi:inchikey "NYAGJJIVOVZRJD-UYICUSKSSA-N" ; chebi:mass "616.791" ; chebi:monoisotopicmass "616.36247" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15101" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103757" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide" . obo:CHEBI_103758 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)16-4-6-17(7-5-16)34-27(38)35-18-8-9-23-21(11-18)22-12-20(39-24(15-36)26(22)40-23)13-25(37)33-14-19-3-1-2-10-32-19/h1-11,20,22,24,26,36H,12-15H2,(H,33,37)(H2,34,35,38)/t20-,22+,24+,26-/m1/s1" ; chebi:inchikey "NNNMMCMDOXLHLD-GRTAZNFBSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-15102" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103758" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103759 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21-,22-,27+/m0/s1" ; chebi:inchikey "HNFJEPMYRFFBAZ-GHIUXRNCSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15103" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103759" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea" . obo:CHEBI_10376 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27442 ; owl:deprecated true . obo:CHEBI_103760 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28-/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-UMQWNRPGSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15104" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103760" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103761 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-3-4-20-18(9-16)19-10-17(32-21(14-29)24(19)33-20)11-22(30)26-12-15-5-7-25-8-6-15/h3-9,17,19,21,24,29H,10-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-,21+,24+/m0/s1" ; chebi:inchikey "AXSMPGQCOGKKGU-NOOBJOLFSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15105" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103761" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide" . obo:CHEBI_103762 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19+,24-/m1/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-YDIMBITNSA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15106" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103762" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103763 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C26H40N2O4S" ; chebi:inchi "InChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25-/m0/s1" ; chebi:inchikey "LJUASEIATGHWBE-BKSPAHHJSA-N" ; chebi:mass "476.674" ; chebi:monoisotopicmass "476.27088" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CCC3CCCC3)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15107" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103763" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103764 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21+,26-/m0/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-UZINWLIJSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15108" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103764" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103765 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19-,24-/m0/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-JXQFQVJHSA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15109" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103765" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103766 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C28H27F3N4O5" ; chebi:inchi "InChI=1S/C28H27F3N4O5/c29-28(30,31)16-4-6-17(7-5-16)34-27(38)35-18-8-9-23-21(11-18)22-12-20(39-24(15-36)26(22)40-23)13-25(37)33-14-19-3-1-2-10-32-19/h1-11,20,22,24,26,36H,12-15H2,(H,33,37)(H2,34,35,38)/t20-,22-,24-,26+/m1/s1" ; chebi:inchikey "NNNMMCMDOXLHLD-DFICYWPVSA-N" ; chebi:mass "556.534" ; chebi:monoisotopicmass "556.19335" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=CC=N5" ; oboInOwl:hasDbXref "LINCS:LSM-15110" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103766" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide" . obo:CHEBI_103767 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22-,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-KUMFRPPMSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15111" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103767" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103768 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C27H32F3N3O8S" ; chebi:inchi "InChI=1S/C27H32F3N3O8S/c1-16-11-33(25(34)18-5-8-21-23(9-18)41-15-40-21)17(2)13-39-22-10-19(31-42(36,37)14-27(28,29)30)6-7-20(22)26(35)32(3)12-24(16)38-4/h5-10,16-17,24,31H,11-15H2,1-4H3/t16-,17-,24-/m1/s1" ; chebi:inchikey "IFTYRDLVJFCQIR-HOZJOUCCSA-N" ; chebi:mass "615.621" ; chebi:monoisotopicmass "615.18622" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4" ; oboInOwl:hasDbXref "LINCS:LSM-15112" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103768" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide" . obo:CHEBI_103769 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27+/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-OWOAZTCBSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15113" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103769" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5S)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_10377 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28419 ; owl:deprecated true . obo:CHEBI_103770 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24+/m1/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-IMWIBFENSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@H]([C@@H](CN(C2=O)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-15114" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103770" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103771 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24-,29+/m1/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HZTMJRFTSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15115" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103771" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103772 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H41FN4O5" ; chebi:inchi "InChI=1S/C29H41FN4O5/c1-19-17-34(20(2)18-35)28(36)25-15-24(33-29(37)32-23-10-8-22(30)9-11-23)12-13-26(25)39-21(3)7-5-6-14-38-27(19)16-31-4/h8-13,15,19-21,27,31,35H,5-7,14,16-18H2,1-4H3,(H2,32,33,37)/t19-,20-,21-,27-/m0/s1" ; chebi:inchikey "QNMRQELCDYNENZ-RFACUBCZSA-N" ; chebi:mass "544.659" ; chebi:monoisotopicmass "544.30610" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC" ; oboInOwl:hasDbXref "LINCS:LSM-15116" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103772" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea" . obo:CHEBI_103773 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H30F3N3O5" ; chebi:inchi "InChI=1S/C30H30F3N3O5/c31-30(32,33)19-6-8-20(9-7-19)35-29(39)36-21-10-11-25-23(14-21)24-15-22(40-26(17-37)28(24)41-25)16-27(38)34-13-12-18-4-2-1-3-5-18/h1-11,14,22,24,26,28,37H,12-13,15-17H2,(H,34,38)(H2,35,36,39)/t22-,24-,26-,28+/m0/s1" ; chebi:inchikey "HHORGFBYQNPTJA-AJWNWGNMSA-N" ; chebi:mass "569.573" ; chebi:monoisotopicmass "569.21376" ; chebi:smiles "C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15117" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103773" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide" . obo:CHEBI_103774 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C27H36N2O6S2" ; chebi:inchi "InChI=1S/C27H36N2O6S2/c1-19-9-12-24(13-10-19)36(31,32)28(4)17-26-20(2)16-29(21(3)18-30)37(33,34)27-14-11-23(15-25(27)35-26)22-7-5-6-8-22/h7,9-15,20-21,26,30H,5-6,8,16-18H2,1-4H3/t20-,21+,26+/m1/s1" ; chebi:inchikey "ZNXYRHHWSDGXHP-SWYRRKHMSA-N" ; chebi:mass "548.718" ; chebi:monoisotopicmass "548.20148" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15118" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103774" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" . obo:CHEBI_103775 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C28H37N7O5" ; chebi:inchi "InChI=1S/C28H37N7O5/c1-20-16-34(21(2)18-36)27(37)11-7-13-35-23(15-30-32-35)19-39-25(20)17-33(3)28(38)31-22-8-6-9-24(14-22)40-26-10-4-5-12-29-26/h4-6,8-10,12,14-15,20-21,25,36H,7,11,13,16-19H2,1-3H3,(H,31,38)/t20-,21-,25-/m0/s1" ; chebi:inchikey "GHLJLHKVBJDFKH-WATLYSKOSA-N" ; chebi:mass "551.638" ; chebi:monoisotopicmass "551.28562" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=CC(=CC=C3)OC4=CC=CC=N4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15119" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103775" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(2-pyridinyloxy)phenyl]urea" . obo:CHEBI_103776 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24-/m0/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-GLDPYIMESA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-15120" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103776" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103777 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C30H38N4O4" ; chebi:inchi "InChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)30(37)26-15-24(13-12-23-9-5-4-6-10-23)17-32-29(26)38-27(21)19-33(3)28(36)16-25-11-7-8-14-31-25/h7-8,11,14-15,17,21-23,27,35H,4-6,9-10,16,18-20H2,1-3H3/t21-,22+,27-/m0/s1" ; chebi:inchikey "UXOYYOHZEHALJU-XXAUWVGASA-N" ; chebi:mass "518.648" ; chebi:monoisotopicmass "518.28931" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@H]1CN(C)C(=O)CC4=CC=CC=N4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15121" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103777" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide" . obo:CHEBI_103778 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23+,24-,29+/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HNFJUSDZSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15122" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103778" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103779 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H28F3N3O7" ; chebi:inchi "InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "DCKQIPUZKHPVQM-DFQMGKBUSA-N" ; chebi:mass "599.556" ; chebi:monoisotopicmass "599.18793" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-15123" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103779" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_10378 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27707 ; owl:deprecated true . obo:CHEBI_103780 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23-,26-/m0/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-RJOXYXJUSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-15124" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103780" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103781 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H54N4O6" ; chebi:inchi "InChI=1S/C33H54N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24-,25-,30+/m1/s1" ; chebi:inchikey "KOPUKDVKYXJRIR-GBRARVNLSA-N" ; chebi:mass "602.806" ; chebi:monoisotopicmass "602.40434" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15125" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103781" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide" . obo:CHEBI_103782 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H39N3O5" ; chebi:inchi "InChI=1S/C29H39N3O5/c1-19-15-32(16-21-9-10-21)20(2)18-37-26-14-23(30-28(33)22-7-6-8-24(13-22)35-4)11-12-25(26)29(34)31(3)17-27(19)36-5/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H,30,33)/t19-,20-,27-/m1/s1" ; chebi:inchikey "MBZIAPCTYFYNLY-SEXOINJZSA-N" ; chebi:mass "509.638" ; chebi:monoisotopicmass "509.28897" ; chebi:smiles "C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-15126" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103782" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzamide" . obo:CHEBI_103783 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C32H46N4O5" ; chebi:inchi "InChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-10-13-28(40-4)14-11-26)12-15-29(25)41-30(22)20-35(3)19-24-8-6-5-7-9-24/h10-16,22-24,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23+,30+/m0/s1" ; chebi:inchikey "QTHBIZIZCLMCFV-DDFCPOBKSA-N" ; chebi:mass "566.733" ; chebi:monoisotopicmass "566.34682" ; chebi:smiles "C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15127" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103783" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea" . obo:CHEBI_103784 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C28H37N3O4S" ; chebi:inchi "InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22-,27+/m1/s1" ; chebi:inchikey "VXDFRUAWHFSTRR-LOYIFYEOSA-N" ; chebi:mass "511.678" ; chebi:monoisotopicmass "511.25048" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4CCCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15128" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103784" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103785 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28+/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-PFPZSTESSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15129" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103785" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103786 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H27FN2O4S" ; chebi:inchi "InChI=1S/C21H27FN2O4S/c1-14-12-24(15(2)13-25)29(26,27)21-9-8-16(17-6-4-5-7-18(17)22)10-19(21)28-20(14)11-23-3/h4-10,14-15,20,23,25H,11-13H2,1-3H3/t14-,15-,20+/m1/s1" ; chebi:inchikey "DTSMYPYKMZUDTF-SXGZJXTBSA-N" ; chebi:mass "422.515" ; chebi:monoisotopicmass "422.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15130" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103786" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103787 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C23H27FN2O4S" ; chebi:inchi "InChI=1S/C23H27FN2O4S/c1-16-14-26(17(2)15-27)31(28,29)23-11-9-18(12-21(23)30-22(16)13-25-3)8-10-19-6-4-5-7-20(19)24/h4-7,9,11-12,16-17,22,25,27H,13-15H2,1-3H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "SJHPEWGCSFZDDK-YVHKJVDXSA-N" ; chebi:mass "446.537" ; chebi:monoisotopicmass "446.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15131" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103787" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103788 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-5-6-20-18(8-16)19-9-17(32-21(14-29)24(19)33-20)10-22(30)26-12-15-4-3-7-25-11-15/h3-8,11,17,19,21,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19+,21-,24-/m0/s1" ; chebi:inchikey "DYFXALJZQJAGQY-PMSBSAKUSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15132" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103788" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_103789 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C33H47FN4O5" ; chebi:inchi "InChI=1S/C33H47FN4O5/c1-22-18-38(23(2)21-39)32(40)29-17-28(36-33(41)35-27-12-10-26(34)11-13-27)14-15-30(29)43-24(3)7-5-6-16-42-31(22)20-37(4)19-25-8-9-25/h10-15,17,22-25,31,39H,5-9,16,18-21H2,1-4H3,(H2,35,36,41)/t22-,23+,24-,31+/m1/s1" ; chebi:inchikey "STYUMYTXFXXJJW-WDCHQWTNSA-N" ; chebi:mass "598.750" ; chebi:monoisotopicmass "598.35305" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO)C)CN(C)CC4CC4" ; oboInOwl:hasDbXref "LINCS:LSM-15133" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103789" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea" . obo:CHEBI_10379 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_30248 ; owl:deprecated true . obo:CHEBI_103790 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C29H41N3O5S" ; chebi:inchi "InChI=1S/C29H41N3O5S/c1-21-17-32(22(2)20-33)29(34)26-16-24(30-38(35,36)25-12-8-5-9-13-25)14-15-27(26)37-28(21)19-31(3)18-23-10-6-4-7-11-23/h5,8-9,12-16,21-23,28,30,33H,4,6-7,10-11,17-20H2,1-3H3/t21-,22+,28-/m1/s1" ; chebi:inchikey "DAPIBIRMBOQELH-RZIGYZOXSA-N" ; chebi:mass "543.720" ; chebi:monoisotopicmass "543.27669" ; chebi:smiles "C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15134" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103790" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide" . obo:CHEBI_103791 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C24H38N2O5S" ; chebi:inchi "InChI=1S/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/t18-,19+,23-/m0/s1" ; chebi:inchikey "PJAYKLYFYLNPHZ-YYDVJCTNSA-N" ; chebi:mass "466.636" ; chebi:monoisotopicmass "466.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)CC3CCOCC3)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15135" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103791" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15135" . obo:CHEBI_103792 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22-,28-/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-VPYPWEPUSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15136" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103792" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103793 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C30H28F3N3O7" ; chebi:inchi "InChI=1S/C30H28F3N3O7/c31-30(32,33)17-2-4-18(5-3-17)35-29(39)36-19-6-8-23-21(10-19)22-11-20(42-26(14-37)28(22)43-23)12-27(38)34-13-16-1-7-24-25(9-16)41-15-40-24/h1-10,20,22,26,28,37H,11-15H2,(H,34,38)(H2,35,36,39)/t20-,22+,26-,28-/m1/s1" ; chebi:inchikey "DCKQIPUZKHPVQM-UKTDVOJESA-N" ; chebi:mass "599.556" ; chebi:monoisotopicmass "599.18793" ; chebi:smiles "C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-15137" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103793" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103794 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C24H30N4O5" ; chebi:inchi "InChI=1S/C24H30N4O5/c1-28(2)13-23(31)27-16-5-6-20-18(8-16)19-9-17(32-21(14-29)24(19)33-20)10-22(30)26-12-15-4-3-7-25-11-15/h3-8,11,17,19,21,24,29H,9-10,12-14H2,1-2H3,(H,26,30)(H,27,31)/t17-,19-,21+,24+/m0/s1" ; chebi:inchikey "DYFXALJZQJAGQY-NOOBJOLFSA-N" ; chebi:mass "454.520" ; chebi:monoisotopicmass "454.22162" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CN=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15138" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103794" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide" . obo:CHEBI_103795 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C22H29N3O4" ; chebi:inchi "InChI=1S/C22H29N3O4/c1-14-12-25(15(2)13-26)22(27)19-9-17(16-5-7-18(28-4)8-6-16)10-24-21(19)29-20(14)11-23-3/h5-10,14-15,20,23,26H,11-13H2,1-4H3/t14-,15-,20-/m0/s1" ; chebi:inchikey "KUOLKNDJLDMVPT-AVYPCKFXSA-N" ; chebi:mass "399.484" ; chebi:monoisotopicmass "399.21581" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)OC)O[C@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15139" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103795" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103796 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21+,22-,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-LLTQPOKBSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15140" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103796" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_103797 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18379 ; rdfs:subClassOf obo:CHEBI_22712 ; chebi:charge "0" ; chebi:formula "C25H33N3O4S" ; chebi:inchi "InChI=1S/C25H33N3O4S/c1-5-12-27(4)16-24-18(2)15-28(19(3)17-29)33(30,31)25-11-10-22(13-23(25)32-24)21-8-6-20(14-26)7-9-21/h6-11,13,18-19,24,29H,5,12,15-17H2,1-4H3/t18-,19+,24-/m0/s1" ; chebi:inchikey "MGOWLZBQMGKWLP-GLDPYIMESA-N" ; chebi:mass "471.614" ; chebi:monoisotopicmass "471.21918" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=C(C=C3)C#N)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15141" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103797" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103798 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C27H33FN4O4" ; chebi:inchi "InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24+/m0/s1" ; chebi:inchikey "QSIOMQGNLKPVMQ-XLNZFTOWSA-N" ; chebi:mass "496.575" ; chebi:monoisotopicmass "496.24858" ; chebi:smiles "CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-15142" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103798" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(3-fluorophenyl)-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea" . obo:CHEBI_103799 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C27H33FN2O4S" ; chebi:inchi "InChI=1S/C27H33FN2O4S/c1-19-15-30(20(2)18-31)35(32,33)27-12-11-22(8-7-21-5-4-6-24(28)13-21)14-25(27)34-26(19)17-29(3)16-23-9-10-23/h4-6,11-14,19-20,23,26,31H,9-10,15-18H2,1-3H3/t19-,20+,26-/m1/s1" ; chebi:inchikey "RFKINOJAXDJBJC-BVFVYWQFSA-N" ; chebi:mass "500.627" ; chebi:monoisotopicmass "500.21451" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC(=CC=C3)F)O[C@@H]1CN(C)CC4CC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15143" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103799" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-8-[2-(3-fluorophenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_1038 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28160 ; owl:deprecated true . obo:CHEBI_10380 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17716 ; owl:deprecated true . obo:CHEBI_103800 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23+,26-/m0/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-NNUFSEJXSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-15144" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103800" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103801 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29-/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-UITIVDIESA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15145" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103801" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103802 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H41N3O5" ; chebi:inchi "InChI=1S/C31H41N3O5/c1-21-18-34(30(36)24-13-9-6-10-14-24)22(2)20-39-27-16-15-25(32-29(35)23-11-7-5-8-12-23)17-26(27)31(37)33(3)19-28(21)38-4/h6,9-10,13-17,21-23,28H,5,7-8,11-12,18-20H2,1-4H3,(H,32,35)/t21-,22+,28+/m1/s1" ; chebi:inchikey "PQUKNIWUQFCXJV-WENCSYSZSA-N" ; chebi:mass "535.676" ; chebi:monoisotopicmass "535.30462" ; chebi:smiles "C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCCCC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15146" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103802" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4S,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide" . obo:CHEBI_103803 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22475 ; chebi:charge "0" ; chebi:formula "C26H31N3O7" ; chebi:inchi "InChI=1S/C26H31N3O7/c1-29(2)12-25(32)28-16-4-6-20-18(8-16)19-9-17(35-23(13-30)26(19)36-20)10-24(31)27-11-15-3-5-21-22(7-15)34-14-33-21/h3-8,17,19,23,26,30H,9-14H2,1-2H3,(H,27,31)(H,28,32)/t17-,19+,23-,26-/m1/s1" ; chebi:inchikey "WTUFVLVPXRCGPW-ZOFLEUFXSA-N" ; chebi:mass "497.541" ; chebi:monoisotopicmass "497.21620" ; chebi:smiles "CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5" ; oboInOwl:hasDbXref "LINCS:LSM-15147" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103803" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide" . obo:CHEBI_103804 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21-,28-/m0/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-CZBREUMFSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15148" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103804" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4S,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103805 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C24H33N3O5S" ; chebi:inchi "InChI=1S/C24H33N3O5S/c1-16-14-27(17(2)15-28)33(30,31)23-10-9-19(12-21(23)32-22(16)13-25-3)18-7-6-8-20(11-18)24(29)26(4)5/h6-12,16-17,22,25,28H,13-15H2,1-5H3/t16-,17-,22+/m1/s1" ; chebi:inchikey "BXSLUDILSQPBHO-YVHKJVDXSA-N" ; chebi:mass "475.603" ; chebi:monoisotopicmass "475.21409" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)C(=O)N(C)C)O[C@H]1CNC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15149" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103805" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide" . obo:CHEBI_103806 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H42N4O5" ; chebi:inchi "InChI=1S/C29H42N4O5/c1-20-17-33(21(2)19-34)29(36)25-16-24(31-28(35)23-11-13-30-14-12-23)9-10-26(25)38-22(3)8-6-7-15-37-27(20)18-32(4)5/h9-14,16,20-22,27,34H,6-8,15,17-19H2,1-5H3,(H,31,35)/t20-,21+,22-,27+/m1/s1" ; chebi:inchikey "FBKKOHUHBUWDTB-RYBWSMFQSA-N" ; chebi:mass "526.669" ; chebi:monoisotopicmass "526.31552" ; chebi:smiles "C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15150" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103806" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide" . obo:CHEBI_103807 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C29H46F3N3O5" ; chebi:inchi "InChI=1S/C29H46F3N3O5/c1-6-14-34(5)18-26-20(2)17-35(21(3)19-36)28(38)24-16-23(33-27(37)12-13-29(30,31)32)10-11-25(24)40-22(4)9-7-8-15-39-26/h10-11,16,20-22,26,36H,6-9,12-15,17-19H2,1-5H3,(H,33,37)/t20-,21+,22-,26+/m0/s1" ; chebi:inchikey "ZWQRBFIYGZIGKO-IMIIHFCZSA-N" ; chebi:mass "573.689" ; chebi:monoisotopicmass "573.33896" ; chebi:smiles "CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H](CCCCO1)C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15151" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103807" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide" . obo:CHEBI_103808 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27+/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-ASHZAFPQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15152" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103808" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103809 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26799 ; chebi:charge "0" ; chebi:formula "C24H38N2O5S" ; chebi:inchi "InChI=1S/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/t18-,19-,23-/m1/s1" ; chebi:inchikey "PJAYKLYFYLNPHZ-DNVFCKCGSA-N" ; chebi:mass "466.636" ; chebi:monoisotopicmass "466.25014" ; chebi:smiles "CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)CC3CCOCC3)C)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15153" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103809" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15153" . obo:CHEBI_103810 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-TYPXCFOJSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15154" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103810" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103811 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C29H37FN2O5S" ; chebi:inchi "InChI=1S/C29H37FN2O5S/c1-21-17-32(22(2)20-33)38(34,35)29-11-9-23(8-10-25-6-4-5-7-26(25)30)16-27(29)37-28(21)19-31(3)18-24-12-14-36-15-13-24/h4-7,9,11,16,21-22,24,28,33H,12-15,17-20H2,1-3H3/t21-,22+,28+/m1/s1" ; chebi:inchikey "WFHCWVTWIFSLHF-WENCSYSZSA-N" ; chebi:mass "544.680" ; chebi:monoisotopicmass "544.24072" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15155" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103811" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103812 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27-/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-SEXOINJZSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15156" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103812" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103813 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C30H51N3O6S" ; chebi:inchi "InChI=1S/C30H51N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h14-15,17,22-25,29,31,34H,6-13,16,18-21H2,1-5H3/t22-,23-,24-,29+/m0/s1" ; chebi:inchikey "MOSVBDAIGOGSPE-HGPRPZRGSA-N" ; chebi:mass "581.810" ; chebi:monoisotopicmass "581.34986" ; chebi:smiles "C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15157" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103813" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide" . obo:CHEBI_103814 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38193 ; chebi:charge "0" ; chebi:formula "C28H31F2N3O3" ; chebi:inchi "InChI=1S/C28H31F2N3O3/c1-18-14-33(19(2)17-34)28(35)24-12-21(23-9-4-5-10-25(23)30)13-31-27(24)36-26(18)16-32(3)15-20-7-6-8-22(29)11-20/h4-13,18-19,26,34H,14-17H2,1-3H3/t18-,19-,26-/m0/s1" ; chebi:inchikey "NAZKFJIDOIPBCY-DGUDUIIESA-N" ; chebi:mass "495.562" ; chebi:monoisotopicmass "495.23335" ; chebi:smiles "C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15158" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103814" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3S)-8-(2-fluorophenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one" . obo:CHEBI_103815 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C30H40N2O7S2" ; chebi:inchi "InChI=1S/C30H40N2O7S2/c1-22-19-32(23(2)21-33)41(36,37)30-17-16-25(13-9-12-24-10-5-6-11-24)18-27(30)39-28(22)20-31(3)40(34,35)29-15-8-7-14-26(29)38-4/h7-8,14-18,22-24,28,33H,5-6,10-12,19-21H2,1-4H3/t22-,23+,28+/m0/s1" ; chebi:inchikey "LUSCQGWIOGZNHP-SXDGJLEOSA-N" ; chebi:mass "604.781" ; chebi:monoisotopicmass "604.22769" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC3CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15159" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103815" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(4S,5S)-8-(3-cyclopentylprop-1-ynyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide" . obo:CHEBI_103816 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_74927 ; chebi:charge "0" ; chebi:formula "C29H27FN2O7" ; chebi:inchi "InChI=1S/C29H27FN2O7/c30-18-3-1-2-16(8-18)13-31-27(34)12-20-11-22-21-10-19(5-7-23(21)39-28(22)26(14-33)38-20)32-29(35)17-4-6-24-25(9-17)37-15-36-24/h1-10,20,22,26,28,33H,11-15H2,(H,31,34)(H,32,35)/t20-,22-,26-,28+/m1/s1" ; chebi:inchikey "HIMABYNGDRMZAM-DFQMGKBUSA-N" ; chebi:mass "534.533" ; chebi:monoisotopicmass "534.18023" ; chebi:smiles "C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC(=CC=C6)F" ; oboInOwl:hasDbXref "LINCS:LSM-15160" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103816" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide" . obo:CHEBI_103817 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C30H41N7O4" ; chebi:inchi "InChI=1S/C30H41N7O4/c1-21-15-37(22(2)19-38)29(39)9-6-14-36-17-25(33-34-36)20-41-28(21)18-35(3)16-23-10-12-24(13-11-23)30(40)32-27-8-5-4-7-26(27)31/h4-5,7-8,10-13,17,21-22,28,38H,6,9,14-16,18-20,31H2,1-3H3,(H,32,40)/t21-,22+,28+/m0/s1" ; chebi:inchikey "UVZKFWVLTKDOOG-PFPZSTESSA-N" ; chebi:mass "563.692" ; chebi:monoisotopicmass "563.32200" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N=N2)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15161" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103817" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-aminophenyl)-4-[[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide" . obo:CHEBI_103818 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H27FN2O4S" ; chebi:inchi "InChI=1S/C21H27FN2O4S/c1-14-12-24(15(2)13-25)29(26,27)21-9-8-16(17-6-4-5-7-18(17)22)10-19(21)28-20(14)11-23-3/h4-10,14-15,20,23,25H,11-13H2,1-3H3/t14-,15+,20-/m1/s1" ; chebi:inchikey "DTSMYPYKMZUDTF-QEEYODRMSA-N" ; chebi:mass "422.515" ; chebi:monoisotopicmass "422.16756" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3F)O[C@@H]1CNC)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15162" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103818" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103819 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C31H43F3N4O5" ; chebi:inchi "InChI=1S/C31H43F3N4O5/c1-20-17-38(21(2)19-39)29(40)26-16-25(36-30(41)35-24-11-9-23(10-12-24)31(32,33)34)13-14-27(26)43-22(3)8-6-7-15-42-28(20)18-37(4)5/h9-14,16,20-22,28,39H,6-8,15,17-19H2,1-5H3,(H2,35,36,41)/t20-,21-,22+,28+/m1/s1" ; chebi:inchikey "GMYAYTAKTSTYEI-XYFFEVBTSA-N" ; chebi:mass "608.693" ; chebi:monoisotopicmass "608.31855" ; chebi:smiles "C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15163" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103819" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea" . obo:CHEBI_10382 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_546807 ; owl:deprecated true . obo:CHEBI_103820 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21+,28-/m0/s1" ; chebi:inchikey "RSLDQNPUEWIABH-GTNJKRJXSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15164" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103820" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15164" . obo:CHEBI_103821 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21+,28-/m1/s1" ; chebi:inchikey "RSLDQNPUEWIABH-PHVLTXCSSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15165" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103821" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15165" . obo:CHEBI_103822 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C30H33F2N3O5S" ; chebi:inchi "InChI=1S/C30H33F2N3O5S/c1-20-17-35(21(2)19-36)41(38,39)29-14-11-23(10-9-22-7-5-4-6-8-22)15-27(29)40-28(20)18-34(3)30(37)33-26-16-24(31)12-13-25(26)32/h4-16,20-21,28,36H,17-19H2,1-3H3,(H,33,37)/t20-,21-,28-/m1/s1" ; chebi:inchikey "RSLDQNPUEWIABH-UMQWNRPGSA-N" ; chebi:mass "585.664" ; chebi:monoisotopicmass "585.21090" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C=CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15166" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103822" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15166" . obo:CHEBI_103823 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C29H32FN3O4S" ; chebi:inchi "InChI=1S/C29H32FN3O4S/c1-20-16-33(21(2)19-34)38(35,36)29-12-11-25(24-9-7-22(15-31)8-10-24)14-27(29)37-28(20)18-32(3)17-23-5-4-6-26(30)13-23/h4-14,20-21,28,34H,16-19H2,1-3H3/t20-,21+,28+/m1/s1" ; chebi:inchikey "PEEJAUXHJGOSQX-GGJMMHKRSA-N" ; chebi:mass "537.648" ; chebi:monoisotopicmass "537.20976" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15167" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103823" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4R,5R)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile" . obo:CHEBI_103824 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27-/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-IOKPGSKQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15168" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103824" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5S)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103825 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; chebi:charge "0" ; chebi:formula "C25H36N2O4S" ; chebi:inchi "InChI=1S/C25H36N2O4S/c1-6-13-26(5)16-24-19(3)15-27(20(4)17-28)32(29,30)25-12-11-21(14-23(25)31-24)22-10-8-7-9-18(22)2/h7-12,14,19-20,24,28H,6,13,15-17H2,1-5H3/t19-,20+,24-/m0/s1" ; chebi:inchikey "OGNBHIXSMVQURJ-ROKPMTFOSA-N" ; chebi:mass "460.631" ; chebi:monoisotopicmass "460.23958" ; chebi:smiles "CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3C)[C@H](C)CO)C" ; oboInOwl:hasDbXref "LINCS:LSM-15169" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103825" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R)-2-[(4S,5R)-4-methyl-8-(2-methylphenyl)-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol" . obo:CHEBI_103826 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C30H34FN3O3" ; chebi:inchi "InChI=1S/C30H34FN3O3/c1-21-17-34(22(2)20-35)30(36)27-15-25(10-9-23-7-5-4-6-8-23)16-32-29(27)37-28(21)19-33(3)18-24-11-13-26(31)14-12-24/h4-16,21-22,28,35H,17-20H2,1-3H3/t21-,22+,28-/m0/s1" ; chebi:inchikey "ICPSYJLXOFSSIL-TYPXCFOJSA-N" ; chebi:mass "503.609" ; chebi:monoisotopicmass "503.25842" ; chebi:smiles "C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@H]1CN(C)CC3=CC=C(C=C3)F)C=CC4=CC=CC=C4)[C@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15170" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103826" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15170" . obo:CHEBI_103827 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24995 ; rdfs:subClassOf obo:CHEBI_52898 ; chebi:charge "0" ; chebi:formula "C20H35N5O5" ; chebi:inchi "InChI=1S/C20H35N5O5/c1-14(2)30-20(28)23(5)11-18-15(3)9-25(16(4)12-26)19(27)7-6-8-24-10-17(13-29-18)21-22-24/h10,14-16,18,26H,6-9,11-13H2,1-5H3/t15-,16-,18+/m0/s1" ; chebi:inchikey "FYUBIBUWDYYNKH-XYJFISCASA-N" ; chebi:mass "425.523" ; chebi:monoisotopicmass "425.26382" ; chebi:smiles "C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)OC(C)C)N=N2)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15171" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103827" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid propan-2-yl ester" . obo:CHEBI_103828 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20-,27-/m0/s1" ; chebi:inchikey "CROBQSVNIOLQSN-OSOCVKALSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15172" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103828" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4S,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_103829 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H35F2N3O5S" ; chebi:inchi "InChI=1S/C29H35F2N3O5S/c1-19-16-34(20(2)18-35)40(37,38)28-13-10-22(9-8-21-6-4-5-7-21)14-26(28)39-27(19)17-33(3)29(36)32-25-15-23(30)11-12-24(25)31/h10-15,19-21,27,35H,4-7,16-18H2,1-3H3,(H,32,36)/t19-,20+,27+/m1/s1" ; chebi:inchikey "CROBQSVNIOLQSN-JVAFGIKQSA-N" ; chebi:mass "575.669" ; chebi:monoisotopicmass "575.22655" ; chebi:smiles "C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3CCCC3)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@@H](C)CO" ; oboInOwl:hasDbXref "LINCS:LSM-15173" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103829" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[(4R,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea" . obo:CHEBI_10383 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_27667 ; owl:deprecated true . obo:CHEBI_103830 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "0" ; chebi:formula "C29H30FN3O6" ; chebi:inchi "InChI=1S/C29H30FN3O6/c1-37-24-9-5-2-6-17(24)15-31-27(35)14-19-13-21-20-12-18(10-11-25(20)39-28(21)26(16-34)38-19)32-29(36)33-23-8-4-3-7-22(23)30/h2-12,19,21,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t19-,21-,26+,28+/m1/s1" ; chebi:inchikey "QPCDPRLGXJQWSH-MECTWPEFSA-N" ; chebi:mass "535.565" ; chebi:monoisotopicmass "535.21186" ; chebi:smiles "COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F" ; oboInOwl:hasDbXref "LINCS:LSM-15174" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103830" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide" . obo:CHEBI_103831 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C15H15N3O4" ; chebi:inchi "InChI=1S/C15H15N3O4/c1-9-8-13(16-11-5-3-2-4-10(9)11)18-17-12(15(21)22)6-7-14(19)20/h2-5,8H,6-7H2,1H3,(H,16,18)(H,19,20)(H,21,22)" ; chebi:inchikey "UDHWXDSRBZYMPZ-UHFFFAOYSA-N" ; chebi:mass "301.298" ; chebi:monoisotopicmass "301.10626" ; chebi:smiles "CC1=CC(=NC2=CC=CC=C12)NN=C(CCC(=O)O)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15175" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103831" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(4-methyl-2-quinolinyl)hydrazinylidene]pentanedioic acid" . obo:CHEBI_103832 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C27H32N4O4S" ; chebi:inchi "InChI=1S/C27H32N4O4S/c1-4-31(5-2)18-17-28-26(32)21-11-15-23(16-12-21)29-27(33)22-7-6-8-25(19-22)36(34,35)30-24-13-9-20(3)10-14-24/h6-16,19,30H,4-5,17-18H2,1-3H3,(H,28,32)(H,29,33)" ; chebi:inchikey "ANFMDKLZVFZSMK-UHFFFAOYSA-N" ; chebi:mass "508.634" ; chebi:monoisotopicmass "508.21443" ; chebi:smiles "CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C" ; oboInOwl:hasDbXref "LINCS:LSM-15177" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103832" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[[2-(diethylamino)ethylamino]-oxomethyl]phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide" . obo:CHEBI_103833 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C15H11NO3" ; chebi:inchi "InChI=1S/C15H11NO3/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11/h1-5,7-9H,6H2,(H,17,18)" ; chebi:inchikey "VHWFITPGPFLBGT-UHFFFAOYSA-N" ; chebi:mass "253.253" ; chebi:monoisotopicmass "253.07389" ; chebi:smiles "C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15180" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103833" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(3-pyridinylmethyl)-2-benzofurancarboxylic acid" . obo:CHEBI_103834 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C21H22N2O5S" ; chebi:inchi "InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)15(13)22-17(24)14-18(25)23-16(20(26)27)21(2,3)29-19(14)23/h5-10,14,16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t14-,16?,19-/m1/s1" ; chebi:inchikey "PLIGJUHHTJAZTH-WDOBJEIGSA-N" ; chebi:mass "414.477" ; chebi:monoisotopicmass "414.12494" ; chebi:smiles "CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)[C@H]3[C@@H]4N(C3=O)C(C(S4)(C)C)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15181" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103834" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . obo:CHEBI_103835 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26347 ; chebi:charge "0" ; chebi:formula "C22H29ClO6" ; chebi:inchi "InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/t16-,18-,19-,20+,21-/m1/s1" ; chebi:inchikey "VJGGHXVGBSZVMZ-LELZANKISA-N" ; chebi:mass "424.916" ; chebi:monoisotopicmass "424.16527" ; chebi:smiles "C1[C@@H]([C@@H]([C@H]([C@@H]1O)C=C[C@H](COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15182" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103835" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid" . obo:CHEBI_103836 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_23003 ; rdfs:subClassOf obo:CHEBI_23066 ; chebi:charge "0" ; chebi:formula "C16H16N4O8S" ; chebi:inchi "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)" ; chebi:inchikey "JFPVXVDWJQMJEE-UHFFFAOYSA-N" ; chebi:mass "424.387" ; chebi:monoisotopicmass "424.06888" ; chebi:smiles "CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15185" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103836" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . obo:CHEBI_103837 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C11H9NO2S" ; chebi:inchi "InChI=1S/C11H9NO2S/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9/h1-6H,7H2,(H,13,14)" ; chebi:inchikey "UDBABHVKOSPWKD-UHFFFAOYSA-N" ; chebi:mass "219.261" ; chebi:monoisotopicmass "219.03540" ; chebi:smiles "C1=CC2=C(C(=C1)SCC(=O)O)N=CC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-15187" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103837" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(8-quinolinylthio)acetic acid" . obo:CHEBI_103838 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C13H14N2O2S" ; chebi:inchi "InChI=1S/C13H14N2O2S/c1-15-7-6-14-13(15)18-9-12(16)10-4-3-5-11(8-10)17-2/h3-8H,9H2,1-2H3" ; chebi:inchikey "SYLWZFNIQJFWKS-UHFFFAOYSA-N" ; chebi:mass "262.329" ; chebi:monoisotopicmass "262.07760" ; chebi:smiles "CN1C=CN=C1SCC(=O)C2=CC(=CC=C2)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15188" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103838" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3-methoxyphenyl)-2-[(1-methyl-2-imidazolyl)thio]ethanone" . obo:CHEBI_103839 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "+1" ; chebi:formula "C18H14BrN4O" ; chebi:inchi "InChI=1S/C18H14BrN4O/c1-22-18-15(19)9-23(10-16(18)20-21-22)11-17(24)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,11H2,1H3/q+1" ; chebi:inchikey "OXTWOFOMWUURDJ-UHFFFAOYSA-N" ; chebi:mass "382.234" ; chebi:monoisotopicmass "381.03455" ; chebi:smiles "CN1C2=C(C=[N+](C=C2N=N1)CC(=O)C3=CC4=CC=CC=C4C=C3)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15189" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103839" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(7-bromo-1-methyl-5-triazolo[4,5-c]pyridin-5-iumyl)-1-(2-naphthalenyl)ethanone" . obo:CHEBI_10384 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28034 ; owl:deprecated true . obo:CHEBI_103840 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C23H22BrN2O" ; chebi:inchi "InChI=1S/C23H22BrN2O/c1-27-19-11-7-17(8-12-19)22-15-25-14-21(16-5-9-18(24)10-6-16)20-4-2-3-13-26(22)23(20)25/h5-12,15H,2-4,13-14H2,1H3/q+1" ; chebi:inchikey "JBZPLGMTBVEFIZ-UHFFFAOYSA-N" ; chebi:mass "422.338" ; chebi:monoisotopicmass "421.09100" ; chebi:smiles "COC1=CC=C(C=C1)C2=C[N+]3=C4N2CCCCC4=C(C3)C5=CC=C(C=C5)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15190" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103840" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15190" . obo:CHEBI_103841 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C14H13N5OS2" ; chebi:inchi "InChI=1S/C14H13N5OS2/c1-8-12(22-14(16-8)17-9(2)20)10-7-21-13(18-10)19-11-5-3-4-6-15-11/h3-7H,1-2H3,(H,15,18,19)(H,16,17,20)" ; chebi:inchikey "NSRZLORKVVVKSA-UHFFFAOYSA-N" ; chebi:mass "331.419" ; chebi:monoisotopicmass "331.05615" ; chebi:smiles "CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=CC=N3" ; oboInOwl:hasDbXref "LINCS:LSM-15191" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103841" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-methyl-5-[2-(2-pyridinylamino)-4-thiazolyl]-2-thiazolyl]acetamide" . obo:CHEBI_103842 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C17H14FN3OS" ; chebi:inchi "InChI=1S/C17H14FN3OS/c1-22-15-8-4-13(5-9-15)16-11-23-17(21-20-16)19-10-12-2-6-14(18)7-3-12/h2-11,20H,1H3" ; chebi:inchikey "JPYJRIQYPDCENN-UHFFFAOYSA-N" ; chebi:mass "327.378" ; chebi:monoisotopicmass "327.08416" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=NN2)N=CC3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-15192" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103842" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-fluorophenyl)-N-[5-(4-methoxyphenyl)-4H-1,3,4-thiadiazin-2-yl]methanimine" . obo:CHEBI_103843 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C27H31N2O3S" ; chebi:inchi "InChI=1S/C27H31N2O3S/c1-19-16-22(27(3,4)5)17-20(2)26(19)33-15-13-23-8-6-7-14-28(23)18-25(30)21-9-11-24(12-10-21)29(31)32/h6-12,14,16-17H,13,15,18H2,1-5H3/q+1" ; chebi:inchikey "FCSPLBHOFZPWNK-UHFFFAOYSA-N" ; chebi:mass "463.614" ; chebi:monoisotopicmass "463.20499" ; chebi:smiles "CC1=CC(=CC(=C1SCCC2=CC=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C(C)(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15193" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103843" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[2-[(4-tert-butyl-2,6-dimethylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone" . obo:CHEBI_103844 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C12H12ClN2O" ; chebi:inchi "InChI=1S/C12H12ClN2O/c1-14-6-7-15(9-14)8-12(16)10-2-4-11(13)5-3-10/h2-7,9H,8H2,1H3/q+1" ; chebi:inchikey "VAPRSYGEPKZLNA-UHFFFAOYSA-N" ; chebi:mass "235.690" ; chebi:monoisotopicmass "235.06327" ; chebi:smiles "C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15194" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103844" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone" . obo:CHEBI_103845 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C17H14NO" ; chebi:inchi "InChI=1S/C17H14NO/c19-17(15-8-2-1-3-9-15)13-18-12-6-10-14-7-4-5-11-16(14)18/h1-12H,13H2/q+1" ; chebi:inchikey "SZWQQHOTONBGOP-UHFFFAOYSA-N" ; chebi:mass "248.300" ; chebi:monoisotopicmass "248.10699" ; chebi:smiles "C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=CC=CC=C32" ; oboInOwl:hasDbXref "LINCS:LSM-15195" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103845" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-phenyl-2-(1-quinolin-1-iumyl)ethanone" . obo:CHEBI_103846 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C16H25NO" ; chebi:inchi "InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1" ; chebi:inchikey "ASXGJMSKWNBENU-CQSZACIVSA-N" ; chebi:mass "247.376" ; chebi:monoisotopicmass "247.19361" ; chebi:smiles "CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O" ; oboInOwl:hasDbXref "LINCS:LSM-15196" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103846" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol" . obo:CHEBI_103847 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C17H16N2O2" ; chebi:inchi "InChI=1S/C17H16N2O2/c1-21-14-8-6-12(7-9-14)16(20)11-19-10-13-4-2-3-5-15(13)17(19)18/h2-9,18H,10-11H2,1H3" ; chebi:inchikey "YTADBJFSUZDANR-UHFFFAOYSA-N" ; chebi:mass "280.322" ; chebi:monoisotopicmass "280.12118" ; chebi:smiles "COC1=CC=C(C=C1)C(=O)CN2CC3=CC=CC=C3C2=N" ; oboInOwl:hasDbXref "LINCS:LSM-15197" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103847" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3-imino-1H-isoindol-2-yl)-1-(4-methoxyphenyl)ethanone" . obo:CHEBI_103848 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C16H15N3O3S2" ; chebi:inchi "InChI=1S/C16H15N3O3S2/c1-22-13-6-2-11(3-7-13)15-10-23-16(19-15)18-12-4-8-14(9-5-12)24(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)" ; chebi:inchikey "UVXFVKPLLNBRNZ-UHFFFAOYSA-N" ; chebi:mass "361.441" ; chebi:monoisotopicmass "361.05548" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasDbXref "LINCS:LSM-15198" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103848" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]benzenesulfonamide" . obo:CHEBI_103849 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C24H27N2O" ; chebi:inchi "InChI=1S/C24H27N2O/c1-18-7-11-20(12-8-18)22-16-25(24-6-4-3-5-15-26(22)24)17-23(27)21-13-9-19(2)10-14-21/h7-14,16H,3-6,15,17H2,1-2H3/q+1" ; chebi:inchikey "IFHMUNAIFQSUDX-UHFFFAOYSA-N" ; chebi:mass "359.485" ; chebi:monoisotopicmass "359.21179" ; chebi:smiles "CC1=CC=C(C=C1)C2=C[N+](=C3N2CCCCC3)CC(=O)C4=CC=C(C=C4)C" ; oboInOwl:hasDbXref "LINCS:LSM-15199" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103849" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methylphenyl)-2-[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanone" . obo:CHEBI_10385 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17723 ; owl:deprecated true . obo:CHEBI_103850 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C11H9NO2S" ; chebi:inchi "InChI=1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)" ; chebi:inchikey "NYJHTTLXERQUIV-UHFFFAOYSA-N" ; chebi:mass "219.261" ; chebi:monoisotopicmass "219.03540" ; chebi:smiles "CC1=NC(=CS1)C2=CC=C(C=C2)C(=O)O" ; oboInOwl:hasDbXref "LINCS:LSM-15200" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103850" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2-methyl-4-thiazolyl)benzoic acid" . obo:CHEBI_103851 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22723 ; chebi:charge "0" ; chebi:formula "C19H23N3O3S" ; chebi:inchi "InChI=1S/C19H23N3O3S/c1-12(2)9-14-10-19(3,25-17(14)24)15-11-26-18(20-15)22-21-16(23)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)" ; chebi:inchikey "SUGQVMVKDZYGDL-UHFFFAOYSA-N" ; chebi:mass "373.471" ; chebi:monoisotopicmass "373.14601" ; chebi:smiles "CC(C)CC1CC(OC1=O)(C)C2=CSC(=N2)NNC(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15201" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103851" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N'-[4-[2-methyl-4-(2-methylpropyl)-5-oxo-2-oxolanyl]-2-thiazolyl]benzohydrazide" . obo:CHEBI_103852 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C16H15BrN2O2S2" ; chebi:inchi "InChI=1S/C16H15BrN2O2S2/c1-3-21-10-4-5-12-11(8-10)18-16(19(12)2)22-9-13(20)14-6-7-15(17)23-14/h4-8H,3,9H2,1-2H3" ; chebi:inchikey "UMTUPPUVIHTRPI-UHFFFAOYSA-N" ; chebi:mass "411.339" ; chebi:monoisotopicmass "409.97583" ; chebi:smiles "CCOC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=C(S3)Br)C" ; oboInOwl:hasDbXref "LINCS:LSM-15202" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103852" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-bromo-2-thiophenyl)-2-[(5-ethoxy-1-methyl-2-benzimidazolyl)thio]ethanone" . obo:CHEBI_103853 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C22H24Cl2N4O" ; chebi:inchi "InChI=1S/C22H24Cl2N4O/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26/h2-3,6-9,14,25H,1,4-5,10-13,15H2" ; chebi:inchikey "GXFUZNHIKQMEJC-UHFFFAOYSA-N" ; chebi:mass "431.359" ; chebi:monoisotopicmass "430.13272" ; chebi:smiles "C1CCN(CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15204" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103853" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(3,4-dichlorophenyl)-2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]ethanone" . obo:CHEBI_103854 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36786 ; chebi:charge "0" ; chebi:formula "C14H19N3O3S" ; chebi:inchi "InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)" ; chebi:inchikey "OQFCXJDXHCDLHX-UHFFFAOYSA-N" ; chebi:mass "309.386" ; chebi:monoisotopicmass "309.11471" ; chebi:smiles "CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O" ; oboInOwl:hasDbXref "LINCS:LSM-15205" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103854" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide" . obo:CHEBI_103855 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35338 ; chebi:charge "0" ; chebi:formula "C9H13NO" ; chebi:inchi "InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3" ; chebi:inchikey "GIKNHHRFLCDOEU-UHFFFAOYSA-N" ; chebi:mass "151.206" ; chebi:monoisotopicmass "151.09971" ; chebi:smiles "CC(CC1=CC=C(C=C1)O)N" ; oboInOwl:hasDbXref "CAS:103-86-6" ; oboInOwl:hasDbXref "Drug_Central:1394" ; oboInOwl:hasDbXref "LINCS:LSM-15206" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "hydroxyamfetamine hydrobromide" ; oboInOwl:hasRelatedSynonym "hydroxyamphetamide" ; oboInOwl:hasRelatedSynonym "hydroxyamphetamin" ; oboInOwl:hasRelatedSynonym "hydroxyamphetamine" ; oboInOwl:hasRelatedSynonym "hydroxyamphetamine hydrobromide" ; oboInOwl:hasRelatedSynonym "methyltyramine" ; oboInOwl:hasRelatedSynonym "oxamphetamine" ; oboInOwl:hasRelatedSynonym "para-Hydroxyamphetamine" ; oboInOwl:hasRelatedSynonym "paredrine" ; oboInOwl:id "CHEBI:103855" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2-aminopropyl)phenol" . _:b2130 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:103-86-6" ; rdfs:label "DrugCentral" . _:b2131 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:1394" ; rdfs:label "DrugCentral" . _:b2132 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hydroxyamfetamine hydrobromide" ; oboInOwl:hasDbXref "DrugCentral" . _:b2133 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hydroxyamphetamide" ; oboInOwl:hasDbXref "DrugCentral" . _:b2134 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hydroxyamphetamin" ; oboInOwl:hasDbXref "DrugCentral" . _:b2135 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hydroxyamphetamine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2136 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "hydroxyamphetamine hydrobromide" ; oboInOwl:hasDbXref "DrugCentral" . _:b2137 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "methyltyramine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2138 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "oxamphetamine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2139 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "para-Hydroxyamphetamine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2140 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103855 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "paredrine" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_103856 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C26H31BrNO3S" ; chebi:inchi "InChI=1S/C26H31BrNO3S/c1-17-24(32-16-28(17)15-23(29)21-2-4-22(27)5-3-21)6-7-31-25(30)14-26-11-18-8-19(12-26)10-20(9-18)13-26/h2-5,16,18-20H,6-15H2,1H3/q+1" ; chebi:inchikey "NOLFVWIVGUIDAF-UHFFFAOYSA-N" ; chebi:mass "517.500" ; chebi:monoisotopicmass "516.12025" ; chebi:smiles "CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)C4" ; oboInOwl:hasDbXref "LINCS:LSM-15207" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103856" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester" . obo:CHEBI_103857 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H22ClN2O" ; chebi:inchi "InChI=1S/C21H22ClN2O/c1-25-19-12-6-16(7-13-19)20-15-24(18-10-8-17(22)9-11-18)21-5-3-2-4-14-23(20)21/h6-13,15H,2-5,14H2,1H3/q+1" ; chebi:inchikey "VQHSVULGRFPZKL-UHFFFAOYSA-N" ; chebi:mass "353.866" ; chebi:monoisotopicmass "353.14152" ; chebi:smiles "COC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15208" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103857" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103858 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H21BrClN2" ; chebi:inchi "InChI=1S/C21H21BrClN2/c22-18-9-5-16(6-10-18)14-24-15-20(17-7-11-19(23)12-8-17)25-13-3-1-2-4-21(24)25/h5-12,15H,1-4,13-14H2/q+1" ; chebi:inchikey "VGTLRNPQZKPXHY-UHFFFAOYSA-N" ; chebi:mass "416.762" ; chebi:monoisotopicmass "415.05712" ; chebi:smiles "C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15209" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103858" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium" . obo:CHEBI_103859 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "+1" ; chebi:formula "C26H40NO" ; chebi:inchi "InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1" ; chebi:inchikey "PDJZSOPTHHVYSX-UHFFFAOYSA-N" ; chebi:mass "382.603" ; chebi:monoisotopicmass "382.31044" ; chebi:smiles "CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC" ; oboInOwl:hasDbXref "LINCS:LSM-15210" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103859" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium" . obo:CHEBI_10386 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15876 ; owl:deprecated true . obo:CHEBI_103860 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H22ClN2O" ; chebi:inchi "InChI=1S/C21H22ClN2O/c1-25-19-12-10-18(11-13-19)24-20(16-6-8-17(22)9-7-16)15-23-14-4-2-3-5-21(23)24/h6-13,15H,2-5,14H2,1H3/q+1" ; chebi:inchikey "CJTUEBYSLRDGIV-UHFFFAOYSA-N" ; chebi:mass "353.866" ; chebi:monoisotopicmass "353.14152" ; chebi:smiles "COC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15211" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103860" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103861 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "+1" ; chebi:formula "C26H24NO" ; chebi:inchi "InChI=1S/C26H24NO/c1-2-9-23(10-3-1)11-7-17-27(19-21-28-22-20-27)18-8-15-25-14-6-13-24-12-4-5-16-26(24)25/h1-6,9-10,12-14,16H,17-22H2/q+1" ; chebi:inchikey "CUICAVLQGXKHLF-UHFFFAOYSA-N" ; chebi:mass "366.476" ; chebi:monoisotopicmass "366.18524" ; chebi:smiles "C1COCC[N+]1(CC#CC2=CC=CC=C2)CC#CC3=CC=CC4=CC=CC=C43" ; oboInOwl:hasDbXref "LINCS:LSM-15212" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103861" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3-(1-naphthalenyl)prop-2-ynyl]-4-(3-phenylprop-2-ynyl)morpholin-4-ium" . obo:CHEBI_103862 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C15H13BrN2O2S2" ; chebi:inchi "InChI=1S/C15H13BrN2O2S2/c1-18-11-4-3-9(20-2)7-10(11)17-15(18)21-8-12(19)13-5-6-14(16)22-13/h3-7H,8H2,1-2H3" ; chebi:inchikey "KYWBSXBSDBEGKE-UHFFFAOYSA-N" ; chebi:mass "397.312" ; chebi:monoisotopicmass "395.96018" ; chebi:smiles "CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=C(S3)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15213" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103862" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(5-bromo-2-thiophenyl)-2-[(5-methoxy-1-methyl-2-benzimidazolyl)thio]ethanone" . obo:CHEBI_103863 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48975 ; chebi:charge "+1" ; chebi:formula "C17H16FN2OS" ; chebi:inchi "InChI=1S/C17H16FN2OS/c18-14-8-6-13(7-9-14)17(21)12-19(15-4-2-1-3-5-15)16-20(17)10-11-22-16/h1-9,21H,10-12H2/q+1" ; chebi:inchikey "LWQDKRRUELJQKU-UHFFFAOYSA-N" ; chebi:mass "315.387" ; chebi:monoisotopicmass "315.09619" ; chebi:smiles "C1CSC2=[N+]1C(CN2C3=CC=CC=C3)(C4=CC=C(C=C4)F)O" ; oboInOwl:hasDbXref "LINCS:LSM-15216" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103863" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(4-fluorophenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b]thiazol-4-ium-5-ol" . obo:CHEBI_103864 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H23F2N2O" ; chebi:inchi "InChI=1S/C22H23F2N2O/c1-16-6-8-17(9-7-16)20-15-26(21-5-3-2-4-14-25(20)21)18-10-12-19(13-11-18)27-22(23)24/h6-13,15,22H,2-5,14H2,1H3/q+1" ; chebi:inchikey "XVVQRDYLCFKZMM-UHFFFAOYSA-N" ; chebi:mass "369.428" ; chebi:monoisotopicmass "369.17730" ; chebi:smiles "CC1=CC=C(C=C1)C2=CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)OC(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-15217" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103864" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_103865 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H24BrN2S" ; chebi:inchi "InChI=1S/C22H24BrN2S/c1-22(2,3)17-7-5-16(6-8-17)20-15-25(19-11-9-18(23)10-12-19)21-24(20)13-4-14-26-21/h5-12,15H,4,13-14H2,1-3H3/q+1" ; chebi:inchikey "YBXZOFGBMWVTIK-UHFFFAOYSA-N" ; chebi:mass "428.410" ; chebi:monoisotopicmass "427.08381" ; chebi:smiles "CC(C)(C)C1=CC=C(C=C1)C2=CN(C3=[N+]2CCCS3)C4=CC=C(C=C4)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15218" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103865" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-3-(4-tert-butylphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-4-ium" . obo:CHEBI_103866 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "+1" ; chebi:formula "C28H29BrNO2" ; chebi:inchi "InChI=1S/C28H29BrNO2/c29-25-13-11-22(12-14-25)27(31)20-30-17-15-21(16-18-30)26(19-30)28(32,23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,21,26,32H,15-20H2/q+1" ; chebi:inchikey "JHQFDHSPOYHZMH-UHFFFAOYSA-N" ; chebi:mass "491.440" ; chebi:monoisotopicmass "490.13762" ; chebi:smiles "C1C[N+]2(CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC(=O)C5=CC=C(C=C5)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15219" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103866" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone" . obo:CHEBI_103867 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C24H20ClN2O" ; chebi:inchi "InChI=1S/C24H20ClN2O/c1-28-21-13-11-20(12-14-21)27-23(18-6-9-19(25)10-7-18)16-26-22-5-3-2-4-17(22)8-15-24(26)27/h2-7,9-14,16H,8,15H2,1H3/q+1" ; chebi:inchikey "LLCHPKABGFRGHB-UHFFFAOYSA-N" ; chebi:mass "387.882" ; chebi:monoisotopicmass "387.12587" ; chebi:smiles "COC1=CC=C(C=C1)N2C3=[N+](C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5CC3" ; oboInOwl:hasDbXref "LINCS:LSM-15220" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103867" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium" . obo:CHEBI_103868 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47857 ; chebi:charge "+1" ; chebi:formula "C20H21N4O2S" ; chebi:inchi "InChI=1S/C20H20N4O2S/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,21,22,25)/p+1" ; chebi:inchikey "JAADJIYHZHDCSG-UHFFFAOYSA-O" ; chebi:mass "381.473" ; chebi:monoisotopicmass "381.13797" ; chebi:smiles "COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15221" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103868" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea" . obo:CHEBI_103869 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C22H24BrN2O" ; chebi:inchi "InChI=1S/C22H24BrN2O/c1-2-26-20-13-11-19(12-14-20)25-21(17-7-9-18(23)10-8-17)16-24-15-5-3-4-6-22(24)25/h7-14,16H,2-6,15H2,1H3/q+1" ; chebi:inchikey "YFYTWDJVYRDONY-UHFFFAOYSA-N" ; chebi:mass "412.343" ; chebi:monoisotopicmass "411.10665" ; chebi:smiles "CCOC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=C(C=C4)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15222" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103869" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium" . obo:CHEBI_10387 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16117 ; owl:deprecated true . obo:CHEBI_103870 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38260 ; chebi:charge "0" ; chebi:formula "C16H16N4O2S" ; chebi:inchi "InChI=1S/C16H16N4O2S/c1-10(2)18-19-16-17-13(9-23-16)11-3-5-12(6-4-11)20-14(21)7-8-15(20)22/h3-6,9H,7-8H2,1-2H3,(H,17,19)" ; chebi:inchikey "WHSGRBCODMWCOM-UHFFFAOYSA-N" ; chebi:mass "328.391" ; chebi:monoisotopicmass "328.09940" ; chebi:smiles "CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)N3C(=O)CCC3=O)C" ; oboInOwl:hasDbXref "LINCS:LSM-15223" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103870" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2-(2-propan-2-ylidenehydrazinyl)-4-thiazolyl]phenyl]pyrrolidine-2,5-dione" . obo:CHEBI_103871 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C17H16ClN3" ; chebi:inchi "InChI=1S/C17H16ClN3/c18-14-7-8-17-19-15(12-21(17)10-14)11-20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10,12H,3,5,9,11H2" ; chebi:inchikey "QZAITRZFFWETMC-UHFFFAOYSA-N" ; chebi:mass "297.783" ; chebi:monoisotopicmass "297.10328" ; chebi:smiles "C1CC2=CC=CC=C2N(C1)CC3=CN4C=C(C=CC4=N3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15224" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103871" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(6-chloro-2-imidazo[1,2-a]pyridinyl)methyl]-3,4-dihydro-2H-quinoline" . obo:CHEBI_103872 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; chebi:charge "0" ; chebi:formula "C19H19N5OS" ; chebi:inchi "InChI=1S/C19H19N5OS/c1-2-3-18(25)22-16-6-4-15(5-7-16)17-13-26-19(23-17)24-21-12-14-8-10-20-11-9-14/h4-13H,2-3H2,1H3,(H,22,25)(H,23,24)" ; chebi:inchikey "ODQKSIYNQROGSR-UHFFFAOYSA-N" ; chebi:mass "365.454" ; chebi:monoisotopicmass "365.13103" ; chebi:smiles "CCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15225" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103872" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4-thiazolyl]phenyl]butanamide" . obo:CHEBI_103873 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_47918 ; chebi:charge "+1" ; chebi:formula "C12H11N2OS" ; chebi:inchi "InChI=1S/C12H11N2OS/c15-9-13-6-5-12-14(7-8-16-12)11-4-2-1-3-10(11)13/h1-4,7-9H,5-6H2/q+1" ; chebi:inchikey "VQYRZZSYTUTGOW-UHFFFAOYSA-N" ; chebi:mass "231.295" ; chebi:monoisotopicmass "231.05866" ; chebi:smiles "C1CN(C2=CC=CC=C2[N+]3=C1SC=C3)C=O" ; oboInOwl:hasDbXref "LINCS:LSM-15226" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103873" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,5-dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde" . obo:CHEBI_103874 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_13248 ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C19H18N4OS" ; chebi:inchi "InChI=1S/C19H18N4OS/c1-13(15-6-4-3-5-7-15)22-23-19-21-18(12-25-19)16-8-10-17(11-9-16)20-14(2)24/h3-12H,1-2H3,(H,20,24)(H,21,23)" ; chebi:inchikey "CPAWHXGQQUWODG-UHFFFAOYSA-N" ; chebi:mass "350.439" ; chebi:monoisotopicmass "350.12013" ; chebi:smiles "CC(=NNC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15227" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103874" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-[2-(1-phenylethylidene)hydrazinyl]-4-thiazolyl]phenyl]acetamide" . obo:CHEBI_103875 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C23H19N2OS2" ; chebi:inchi "InChI=1S/C23H19N2OS2/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)15-24-12-13-25-20(16-28-23(24)25)22-7-4-14-27-22/h1-11,14,16H,12-13,15H2/q+1" ; chebi:inchikey "QNXBHVSYEIXHAP-UHFFFAOYSA-N" ; chebi:mass "403.543" ; chebi:monoisotopicmass "403.09333" ; chebi:smiles "C1C[N+](=C2N1C(=CS2)C3=CC=CS3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15228" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103875" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-phenylphenyl)-2-(3-thiophen-2-yl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)ethanone" . obo:CHEBI_103876 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C18H16NO" ; chebi:inchi "InChI=1S/C18H16NO/c1-14-11-12-19(17-10-6-5-9-16(14)17)13-18(20)15-7-3-2-4-8-15/h2-12H,13H2,1H3/q+1" ; chebi:inchikey "JXXFWNOEDPEZBN-UHFFFAOYSA-N" ; chebi:mass "262.326" ; chebi:monoisotopicmass "262.12264" ; chebi:smiles "CC1=CC=[N+](C2=CC=CC=C12)CC(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15229" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103876" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-methyl-1-quinolin-1-iumyl)-1-phenylethanone" . obo:CHEBI_103877 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "+1" ; chebi:formula "C27H22N3O3" ; chebi:inchi "InChI=1S/C27H21N3O3/c31-25(20-13-15-23(16-14-20)28-26(32)21-8-3-1-4-9-21)19-30-17-7-12-24(18-30)29-27(33)22-10-5-2-6-11-22/h1-18H,19H2,(H-,28,29,31,32,33)/p+1" ; chebi:inchikey "VARJULNXGISUBP-UHFFFAOYSA-O" ; chebi:mass "436.483" ; chebi:monoisotopicmass "436.16557" ; chebi:smiles "C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15230" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103877" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-[2-(3-benzamido-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide" . obo:CHEBI_103878 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C22H17ClN4O3" ; chebi:inchi "InChI=1S/C22H17ClN4O3/c23-18-6-2-1-5-16(18)13-25-19-7-3-4-8-20(19)26(22(25)24)14-21(28)15-9-11-17(12-10-15)27(29)30/h1-12,24H,13-14H2" ; chebi:inchikey "UIVWGIHEWXLCLW-UHFFFAOYSA-N" ; chebi:mass "420.849" ; chebi:monoisotopicmass "420.09892" ; chebi:smiles "C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15231" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103878" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-[(2-chlorophenyl)methyl]-2-imino-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone" . obo:CHEBI_103879 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35716 ; chebi:charge "+1" ; chebi:formula "C13H12N3O3S" ; chebi:inchi "InChI=1S/C13H12N3O3S/c1-9(17)14-6-7-15-12(8-20-13(14)15)10-2-4-11(5-3-10)16(18)19/h2-5,8H,6-7H2,1H3/q+1" ; chebi:inchikey "ICMZPORYJMYECY-UHFFFAOYSA-N" ; chebi:mass "290.319" ; chebi:monoisotopicmass "290.05939" ; chebi:smiles "CC(=O)[N+]1=C2N(CC1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]" ; oboInOwl:hasDbXref "LINCS:LSM-15232" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103879" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl]ethanone" . obo:CHEBI_10388 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17571 ; owl:deprecated true . obo:CHEBI_103880 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "+1" ; chebi:formula "C23H20NO3" ; chebi:inchi "InChI=1S/C23H20NO3/c25-21(20-8-9-22-23(16-20)27-15-14-26-22)17-24-12-10-19(11-13-24)7-6-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2/q+1" ; chebi:inchikey "OJKCNTHDYHCWIV-UHFFFAOYSA-N" ; chebi:mass "358.411" ; chebi:monoisotopicmass "358.14377" ; chebi:smiles "C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C=CC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15233" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103880" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-phenylethenyl)-1-pyridin-1-iumyl]ethanone" . obo:CHEBI_103881 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C17H15ClN2S" ; chebi:inchi "InChI=1S/C17H15ClN2S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3H2,1H3" ; chebi:inchikey "QAIDAYZZJYOOJH-UHFFFAOYSA-N" ; chebi:mass "314.834" ; chebi:monoisotopicmass "314.06445" ; chebi:smiles "CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15234" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103881" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)thiazole" . obo:CHEBI_103882 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C21H19N5O4S2" ; chebi:inchi "InChI=1S/C21H19N5O4S2/c1-29-19-12-18(24-20(25-19)30-2)26-32(27,28)16-10-8-15(9-11-16)22-21-23-17(13-31-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)(H,24,25,26)" ; chebi:inchikey "JHJYBVWCLIATGY-UHFFFAOYSA-N" ; chebi:mass "469.540" ; chebi:monoisotopicmass "469.08785" ; chebi:smiles "COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15235" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103882" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide" . obo:CHEBI_103883 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C28H36NO3S" ; chebi:inchi "InChI=1S/C28H36NO3S/c1-20-23(33-19-29(20)12-22(30)21-8-6-5-7-9-21)10-11-32-24(31)28-16-25(2)13-26(3,17-28)15-27(4,14-25)18-28/h5-9,19H,10-18H2,1-4H3/q+1" ; chebi:inchikey "XUFGIZSDNNALQR-UHFFFAOYSA-N" ; chebi:mass "466.657" ; chebi:monoisotopicmass "466.24104" ; chebi:smiles "CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C34CC5(CC(C3)(CC(C5)(C4)C)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15236" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103883" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester" . obo:CHEBI_103884 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C15H13N3O2S2" ; chebi:inchi "InChI=1S/C15H13N3O2S2/c16-22(19,20)13-8-6-12(7-9-13)17-15-18-14(10-21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)" ; chebi:inchikey "KFJKXRMGGSTLSO-UHFFFAOYSA-N" ; chebi:mass "331.415" ; chebi:monoisotopicmass "331.04492" ; chebi:smiles "C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasDbXref "LINCS:LSM-15237" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103884" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide" . obo:CHEBI_103885 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C22H23BrClN4O" ; chebi:inchi "InChI=1S/C22H23BrClN4O/c23-17-7-5-16(6-8-17)20(29)15-28-22-4-2-1-3-13-27(22)21(26-28)14-25-19-11-9-18(24)10-12-19/h5-12,25H,1-4,13-15H2/q+1" ; chebi:inchikey "TXETVFLRKCMROY-UHFFFAOYSA-N" ; chebi:mass "474.802" ; chebi:monoisotopicmass "473.07383" ; chebi:smiles "C1CCC2=[N+](CC1)C(=NN2CC(=O)C3=CC=C(C=C3)Br)CNC4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15238" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103885" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-bromophenyl)-2-[3-[(4-chloroanilino)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-4-ium-1-yl]ethanone" . obo:CHEBI_103886 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "+1" ; chebi:formula "C19H18NO2" ; chebi:inchi "InChI=1S/C19H18NO2/c1-14-18-6-4-3-5-15(18)11-12-20(14)13-19(21)16-7-9-17(22-2)10-8-16/h3-12H,13H2,1-2H3/q+1" ; chebi:inchikey "YJAVIBSBWLCIMY-UHFFFAOYSA-N" ; chebi:mass "292.352" ; chebi:monoisotopicmass "292.13321" ; chebi:smiles "CC1=[N+](C=CC2=CC=CC=C12)CC(=O)C3=CC=C(C=C3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15239" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103886" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-methoxyphenyl)-2-(1-methyl-2-isoquinolin-2-iumyl)ethanone" . obo:CHEBI_103887 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "+1" ; chebi:formula "C21H17N2S" ; chebi:inchi "InChI=1S/C21H17N2S/c1-2-8-17(9-3-1)23-19(20-11-6-14-24-20)15-22-18-10-5-4-7-16(18)12-13-21(22)23/h1-11,14-15H,12-13H2/q+1" ; chebi:inchikey "GQURBCLQYBAANB-UHFFFAOYSA-N" ; chebi:mass "329.440" ; chebi:monoisotopicmass "329.11070" ; chebi:smiles "C1CC2=[N+](C=C(N2C3=CC=CC=C3)C4=CC=CS4)C5=CC=CC=C51" ; oboInOwl:hasDbXref "LINCS:LSM-15240" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103887" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-phenyl-2-thiophen-2-yl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium" . obo:CHEBI_103888 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "+1" ; chebi:formula "C11H17N2O2" ; chebi:inchi "InChI=1S/C11H17N2O2/c1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h6-9H,4-5H2,1-3H3/q+1" ; chebi:inchikey "HUKCQESITGCOHV-UHFFFAOYSA-N" ; chebi:mass "209.265" ; chebi:monoisotopicmass "209.12845" ; chebi:smiles "CCN(CC)C(=O)[N+]1=CC=C(C=C1)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15241" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103888" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-diethyl-4-methoxy-1-pyridin-1-iumcarboxamide" . obo:CHEBI_103889 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C17H15N3O4S2" ; chebi:inchi "InChI=1S/C17H15N3O4S2/c1-11(21)24-14-6-2-12(3-7-14)16-10-25-17(20-16)19-13-4-8-15(9-5-13)26(18,22)23/h2-10H,1H3,(H,19,20)(H2,18,22,23)" ; chebi:inchikey "UBBZNTOMSLRFTE-UHFFFAOYSA-N" ; chebi:mass "389.452" ; chebi:monoisotopicmass "389.05040" ; chebi:smiles "CC(=O)OC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N" ; oboInOwl:hasDbXref "LINCS:LSM-15242" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103889" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "acetic acid [4-[2-(4-sulfamoylanilino)-4-thiazolyl]phenyl] ester" . obo:CHEBI_103890 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24780 ; chebi:charge "0" ; chebi:formula "C24H16N2O2S" ; chebi:inchi "InChI=1S/C24H16N2O2S/c27-19-13-7-8-16(14-19)15-20-23(28)26-22(18-11-5-2-6-12-18)21(25-24(26)29-20)17-9-3-1-4-10-17/h1-15,27H" ; chebi:inchikey "REHFCQCKUSKXCO-UHFFFAOYSA-N" ; chebi:mass "396.463" ; chebi:monoisotopicmass "396.09325" ; chebi:smiles "C1=CC=C(C=C1)C2=C(N3C(=O)C(=CC4=CC(=CC=C4)O)SC3=N2)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15243" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103890" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(3-hydroxyphenyl)methylidene]-5,6-diphenyl-3-imidazo[2,1-b]thiazolone" . obo:CHEBI_103891 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C19H15N3O2S3" ; chebi:inchi "InChI=1S/C19H15N3O2S3/c1-11-7-3-4-8-12(11)21-16-15(27-19(21)26)17(23)22(18(25)20-16)13-9-5-6-10-14(13)24-2/h3-10H,1-2H3,(H,20,25)" ; chebi:inchikey "MJVUHJPNTJMSAN-UHFFFAOYSA-N" ; chebi:mass "413.540" ; chebi:monoisotopicmass "413.03264" ; chebi:smiles "CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4OC)SC2=S" ; oboInOwl:hasDbXref "LINCS:LSM-15244" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103891" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-(2-methoxyphenyl)-3-(2-methylphenyl)-2,5-bis(sulfanylidene)-4H-thiazolo[4,5-d]pyrimidin-7-one" . obo:CHEBI_103892 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C19H21FN2O2S" ; chebi:inchi "InChI=1S/C19H21FN2O2S/c1-12-16-11-18(24-3)17(23-2)10-13(16)8-9-22(12)19(25)21-15-6-4-14(20)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)/t12-/m0/s1" ; chebi:inchikey "NXNWXRXLSFGZDX-LBPRGKRZSA-N" ; chebi:mass "360.447" ; chebi:monoisotopicmass "360.13078" ; chebi:smiles "C[C@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15245" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103892" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide" . obo:CHEBI_103893 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; rdfs:subClassOf obo:CHEBI_38530 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a 2-methylpiperidin-1-yl group at position 4." ; chebi:charge "0" ; chebi:formula "C14H17N3" ; chebi:inchi "InChI=1S/C14H17N3/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14/h2-3,7-8,10-11H,4-6,9H2,1H3" ; chebi:inchikey "BOEIMGXBJBIBFB-UHFFFAOYSA-N" ; chebi:mass "227.311" ; chebi:monoisotopicmass "227.14225" ; chebi:smiles "CC1CCCCN1C2=NC=NC3=CC=CC=C32" ; oboInOwl:hasDbXref "LINCS:LSM-15246" ; oboInOwl:hasExactSynonym "4-(2-methylpiperidin-1-yl)quinazoline" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4-(2-methyl-1-piperidinyl)quinazoline" ; oboInOwl:id "CHEBI:103893" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "4-(2-methylpiperidin-1-yl)quinazoline" . _:b2141 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103893 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "4-(2-methylpiperidin-1-yl)quinazoline" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2142 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103893 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-(2-methyl-1-piperidinyl)quinazoline" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103894 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C17H21NO" ; chebi:inchi "InChI=1S/C17H21NO/c1-13(18(2)3)15-11-7-8-12-16(15)17(19)14-9-5-4-6-10-14/h4-13,17,19H,1-3H3" ; chebi:inchikey "LISUDWGNQOAYJR-UHFFFAOYSA-N" ; chebi:mass "255.355" ; chebi:monoisotopicmass "255.16231" ; chebi:smiles "CC(C1=CC=CC=C1C(C2=CC=CC=C2)O)N(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15247" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103894" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[2-[1-(dimethylamino)ethyl]phenyl]-phenylmethanol" . obo:CHEBI_103895 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22213 ; chebi:charge "0" ; chebi:formula "C18H23N" ; chebi:inchi "InChI=1S/C18H23N/c1-12-14-7-5-6-8-16(14)19-17-10-9-13(11-15(12)17)18(2,3)4/h5-8,13H,9-11H2,1-4H3" ; chebi:inchikey "UJQXZVLPQFZFJK-UHFFFAOYSA-N" ; chebi:mass "253.383" ; chebi:monoisotopicmass "253.18305" ; chebi:smiles "CC1=C2CC(CCC2=NC3=CC=CC=C13)C(C)(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15248" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103895" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-tert-butyl-9-methyl-1,2,3,4-tetrahydroacridine" . obo:CHEBI_103896 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25961 ; chebi:charge "0" ; chebi:formula "C18H19N" ; chebi:inchi "InChI=1S/C18H19N/c1-13-10-15-9-8-14-6-4-5-7-17(14)18(15)11-16(13)12-19(2)3/h4-11H,12H2,1-3H3" ; chebi:inchikey "SHHGHUVUBNVWJE-UHFFFAOYSA-N" ; chebi:mass "249.351" ; chebi:monoisotopicmass "249.15175" ; chebi:smiles "CC1=C(C=C2C(=C1)C=CC3=CC=CC=C32)CN(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15249" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103896" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-1-(2-methyl-3-phenanthrenyl)methanamine" . obo:CHEBI_103897 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C8H9ClN2S" ; chebi:inchi "InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)" ; chebi:inchikey "SFKYKNIIEFCNBX-UHFFFAOYSA-N" ; chebi:mass "200.690" ; chebi:monoisotopicmass "200.01750" ; chebi:smiles "C1=CC=C(C(=C1)CSC(=N)N)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15250" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103897" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "carbamimidothioic acid (2-chlorophenyl)methyl ester" . obo:CHEBI_103898 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25384 ; chebi:charge "0" ; chebi:formula "C15H21NO3" ; chebi:inchi "InChI=1S/C15H21NO3/c1-12-4-3-5-14(10-12)18-11-15(17)19-13-6-8-16(2)9-7-13/h3-5,10,13H,6-9,11H2,1-2H3" ; chebi:inchikey "CFQXGQAJHWHLAO-UHFFFAOYSA-N" ; chebi:mass "263.333" ; chebi:monoisotopicmass "263.15214" ; chebi:smiles "CC1=CC(=CC=C1)OCC(=O)OC2CCN(CC2)C" ; oboInOwl:hasDbXref "LINCS:LSM-15251" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103898" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3-methylphenoxy)acetic acid (1-methyl-4-piperidinyl) ester" . obo:CHEBI_103899 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C12H18BrN" ; chebi:inchi "InChI=1S/C12H18BrN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3" ; chebi:inchikey "JBXQBLGZXVYITJ-UHFFFAOYSA-N" ; chebi:mass "256.182" ; chebi:monoisotopicmass "255.06226" ; chebi:smiles "CCCCCNCC1=CC(=CC=C1)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15252" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103899" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(3-bromophenyl)methyl]-1-pentanamine" . obo:CHEBI_1039 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17337 ; owl:deprecated true . obo:CHEBI_10390 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17006 ; owl:deprecated true . obo:CHEBI_103900 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38530 ; chebi:charge "0" ; chebi:formula "C21H20N4O3" ; chebi:inchi "InChI=1S/C21H20N4O3/c1-26-14-9-10-19(27-2)18(12-14)24-21-23-17-8-4-3-7-16(17)20(25-21)22-13-15-6-5-11-28-15/h3-12H,13H2,1-2H3,(H2,22,23,24,25)" ; chebi:inchikey "QSPBFFYAMKWNTF-UHFFFAOYSA-N" ; chebi:mass "376.409" ; chebi:monoisotopicmass "376.15354" ; chebi:smiles "COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4" ; oboInOwl:hasDbXref "LINCS:LSM-15253" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103900" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N2-(2,5-dimethoxyphenyl)-N4-(2-furanylmethyl)quinazoline-2,4-diamine" . obo:CHEBI_103901 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "+1" ; chebi:formula "C26H36ClN2O2" ; chebi:inchi "InChI=1S/C26H36ClN2O2/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3/q+1/t19-,22+,24-/m1/s1" ; chebi:inchikey "OWJNNMGFSZEVIL-WNOPAQSVSA-N" ; chebi:mass "444.030" ; chebi:monoisotopicmass "443.24598" ; chebi:smiles "C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)Cl)C(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15254" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103901" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester" . obo:CHEBI_103902 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_76224 ; chebi:charge "0" ; chebi:formula "C18H27NO2" ; chebi:inchi "InChI=1S/C18H27NO2/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19/h6-9,15H,3-5,10-14H2,1-2H3" ; chebi:inchikey "ZOQKGTTZAAQHHZ-UHFFFAOYSA-N" ; chebi:mass "289.413" ; chebi:monoisotopicmass "289.20418" ; chebi:smiles "CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCC2" ; oboInOwl:hasDbXref "LINCS:LSM-15255" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103902" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-(2-methylpropoxy)phenyl]-3-(1-piperidinyl)-1-propanone" . obo:CHEBI_103903 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48436 ; chebi:charge "+1" ; chebi:formula "C23H25N2O3S" ; chebi:inchi "InChI=1S/C23H24N2O3S/c1-4-28-23(27)21-16(2)17(3)29-22(21)24-20(26)15-25-12-10-19(11-13-25)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3/p+1" ; chebi:inchikey "YBDWDRXHWHCSJW-UHFFFAOYSA-O" ; chebi:mass "409.523" ; chebi:monoisotopicmass "409.15804" ; chebi:smiles "CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15256" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103903" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester" . obo:CHEBI_103904 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; chebi:charge "0" ; chebi:formula "C21H28N2O2" ; chebi:inchi "InChI=1S/C21H28N2O2/c1-2-14-25-21-9-8-18-6-3-4-7-19(18)20(21)17-22-10-5-11-23-12-15-24-16-13-23/h2-4,6-9,22H,1,5,10-17H2" ; chebi:inchikey "PFYNDXDDRGSFNJ-UHFFFAOYSA-N" ; chebi:mass "340.460" ; chebi:monoisotopicmass "340.21508" ; chebi:smiles "C=CCOC1=C(C2=CC=CC=C2C=C1)CNCCCN3CCOCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15257" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103904" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-morpholinyl)-N-[(2-prop-2-enoxy-1-naphthalenyl)methyl]-1-propanamine" . obo:CHEBI_103905 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38460 ; chebi:charge "0" ; chebi:formula "C18H25N3O" ; chebi:inchi "InChI=1S/C18H25N3O/c1-5-19(6-2)10-11-20-16-9-7-8-15-13(3)14(4)21(18(15)16)12-17(20)22/h7-9H,5-6,10-12H2,1-4H3" ; chebi:inchikey "RJZQXZPRWWWLFS-UHFFFAOYSA-N" ; chebi:mass "299.411" ; chebi:monoisotopicmass "299.19976" ; chebi:smiles "CCN(CC)CCN1C(=O)CN2C(=C(C3=C2C1=CC=C3)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15258" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103905" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15258" . obo:CHEBI_103906 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C19H22ClNO2" ; chebi:inchi "InChI=1S/C19H22ClNO2/c20-17-8-6-16(7-9-17)19(22)18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21/h1-9,18-19,22H,10-14H2" ; chebi:inchikey "FUDJAHCMDYNXAS-UHFFFAOYSA-N" ; chebi:mass "331.837" ; chebi:monoisotopicmass "331.13391" ; chebi:smiles "C1COCCN1CC(C2=CC=CC=C2)C(C3=CC=C(C=C3)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-15259" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103906" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-chlorophenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol" . obo:CHEBI_103907 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C30H34N4O3S2" ; chebi:inchi "InChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3" ; chebi:inchikey "YLRRAAAQNUKZCI-UHFFFAOYSA-N" ; chebi:mass "562.749" ; chebi:monoisotopicmass "562.20723" ; chebi:smiles "CCC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-15260" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103907" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_103908 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C18H18N2O" ; chebi:inchi "InChI=1S/C18H18N2O/c1-12-7-4-5-9-15(12)20-16-11-13(2)19-18-14(16)8-6-10-17(18)21-3/h4-11H,1-3H3,(H,19,20)" ; chebi:inchikey "LYANQLBZUJALFT-UHFFFAOYSA-N" ; chebi:mass "278.349" ; chebi:monoisotopicmass "278.14191" ; chebi:smiles "CC1=CC=CC=C1NC2=CC(=NC3=C2C=CC=C3OC)C" ; oboInOwl:hasDbXref "LINCS:LSM-15261" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103908" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "8-methoxy-2-methyl-N-(2-methylphenyl)-4-quinolinamine" . obo:CHEBI_103909 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C23H32N2O3" ; chebi:inchi "InChI=1S/C23H32N2O3/c1-5-27-21-15-19(16-24-14-13-18-9-7-6-8-10-18)11-12-20(21)28-17-22(26)25-23(2,3)4/h6-12,15,24H,5,13-14,16-17H2,1-4H3,(H,25,26)" ; chebi:inchikey "BYZUSZIWBZAANA-UHFFFAOYSA-N" ; chebi:mass "384.513" ; chebi:monoisotopicmass "384.24129" ; chebi:smiles "CCOC1=C(C=CC(=C1)CNCCC2=CC=CC=C2)OCC(=O)NC(C)(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15262" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103909" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-tert-butyl-2-[2-ethoxy-4-[(2-phenylethylamino)methyl]phenoxy]acetamide" . obo:CHEBI_10391 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16979 ; owl:deprecated true . obo:CHEBI_103910 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C18H18N4O6S" ; chebi:inchi "InChI=1S/C18H18N4O6S/c1-20(2)6-3-7-21(17(23)12-4-5-16(28-12)22(24)25)18-19-11-8-13-14(27-10-26-13)9-15(11)29-18/h4-5,8-9H,3,6-7,10H2,1-2H3" ; chebi:inchikey "VDBQQWBAIAAYEY-UHFFFAOYSA-N" ; chebi:mass "418.426" ; chebi:monoisotopicmass "418.09471" ; chebi:smiles "CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(O4)[N+](=O)[O-]" ; oboInOwl:hasDbXref "LINCS:LSM-15263" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103910" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-5-nitro-2-furancarboxamide" . obo:CHEBI_103911 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38924 ; chebi:charge "0" ; chebi:formula "C22H25NO2S" ; chebi:inchi "InChI=1S/C22H25NO2S/c24-20-15-17-7-2-3-8-21(17)26-22-16-18(9-10-19(20)22)25-14-6-13-23-11-4-1-5-12-23/h2-3,7-10,16H,1,4-6,11-15H2" ; chebi:inchikey "HVBFDMQTIYPSNN-UHFFFAOYSA-N" ; chebi:mass "367.506" ; chebi:monoisotopicmass "367.16060" ; chebi:smiles "C1CCN(CC1)CCCOC2=CC3=C(C=C2)C(=O)CC4=CC=CC=C4S3" ; oboInOwl:hasDbXref "LINCS:LSM-15264" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103911" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(1-piperidinyl)propoxy]-6H-benzo[b][1]benzothiepin-5-one" . obo:CHEBI_103912 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C21H29NO" ; chebi:inchi "InChI=1S/C21H29NO/c1-20(13-6-7-14-20)21(23,19-11-4-2-5-12-19)15-10-18-22-16-8-3-9-17-22/h2,4-5,11-12,23H,3,6-9,13-14,16-18H2,1H3" ; chebi:inchikey "TZMWHPKPISYJCM-UHFFFAOYSA-N" ; chebi:mass "311.462" ; chebi:monoisotopicmass "311.22491" ; chebi:smiles "CC1(CCCC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-15265" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103912" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(1-methylcyclopentyl)-1-phenyl-4-(1-piperidinyl)-2-butyn-1-ol" . obo:CHEBI_103913 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_39447 ; chebi:charge "0" ; chebi:formula "C15H12ClN5" ; chebi:inchi "InChI=1S/C15H12ClN5/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18/h1-8H,(H4,17,18,19,20,21)" ; chebi:inchikey "RGJFEUSQLIFRJG-UHFFFAOYSA-N" ; chebi:mass "297.743" ; chebi:monoisotopicmass "297.07812" ; chebi:smiles "C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N=C(N)N" ; oboInOwl:hasDbXref "LINCS:LSM-15266" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103913" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(6-chloro-4-phenyl-2-quinazolinyl)guanidine" . obo:CHEBI_103914 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C17H18FN3O2S" ; chebi:inchi "InChI=1S/C17H18FN3O2S/c1-20(2)9-5-10-21(16(22)13-7-4-11-23-13)17-19-15-12(18)6-3-8-14(15)24-17/h3-4,6-8,11H,5,9-10H2,1-2H3" ; chebi:inchikey "CJOWVGDYVAIVBQ-UHFFFAOYSA-N" ; chebi:mass "347.409" ; chebi:monoisotopicmass "347.11038" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=CO3" ; oboInOwl:hasDbXref "LINCS:LSM-15267" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103914" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide" . obo:CHEBI_103915 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C17H18BrFN2O3" ; chebi:inchi "InChI=1S/C17H18BrFN2O3/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-1-3-13(19)4-2-12/h1-6,14H,7-11H2,(H,20,22)" ; chebi:inchikey "TUKUCXHWROPNBD-UHFFFAOYSA-N" ; chebi:mass "397.239" ; chebi:monoisotopicmass "396.04848" ; chebi:smiles "C1COCCN1C(CNC(=O)C2=CC=C(O2)Br)C3=CC=C(C=C3)F" ; oboInOwl:hasDbXref "LINCS:LSM-15268" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103915" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide" . obo:CHEBI_103916 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C14H13Cl2N3O2S2" ; chebi:inchi "InChI=1S/C14H13Cl2N3O2S2/c1-19-3-2-6-8(5-19)22-14(10(6)12(17)20)18-13(21)7-4-9(15)23-11(7)16/h4H,2-3,5H2,1H3,(H2,17,20)(H,18,21)" ; chebi:inchikey "HBBCIGFGKJJWEX-UHFFFAOYSA-N" ; chebi:mass "390.310" ; chebi:monoisotopicmass "388.98262" ; chebi:smiles "CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(SC(=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15269" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103916" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[(2,5-dichloro-3-thiophenyl)-oxomethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide" . obo:CHEBI_103917 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C14H15N3O" ; chebi:inchi "InChI=1S/C14H15N3O/c1-3-11-16-12-9-7-5-6-8-10(9)18-13(12)14(17-11)15-4-2/h5-8H,3-4H2,1-2H3,(H,15,16,17)" ; chebi:inchikey "OSQRLYLQRYBSDQ-UHFFFAOYSA-N" ; chebi:mass "241.289" ; chebi:monoisotopicmass "241.12151" ; chebi:smiles "CCC1=NC2=C(C(=N1)NCC)OC3=CC=CC=C32" ; oboInOwl:hasDbXref "LINCS:LSM-15270" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103917" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,2-diethyl-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_103918 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C19H18N2O2" ; chebi:inchi "InChI=1S/C19H18N2O2/c1-12-3-5-16-15(9-12)17(10-13(2)20-16)21-14-4-6-18-19(11-14)23-8-7-22-18/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)" ; chebi:inchikey "NOGWKIKUGIOGRI-UHFFFAOYSA-N" ; chebi:mass "306.359" ; chebi:monoisotopicmass "306.13683" ; chebi:smiles "CC1=CC2=C(C=C1)N=C(C=C2NC3=CC4=C(C=C3)OCCO4)C" ; oboInOwl:hasDbXref "LINCS:LSM-15271" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103918" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-4-quinolinamine" . obo:CHEBI_103919 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C17H21N3O2S" ; chebi:inchi "InChI=1S/C17H21N3O2S/c1-4-22-14-5-6-15-12(10-14)9-13-11-20(7-8-21-3)17(18-2)23-16(13)19-15/h5-6,9-10H,4,7-8,11H2,1-3H3" ; chebi:inchikey "QMFOXZXFXUJYET-UHFFFAOYSA-N" ; chebi:mass "331.434" ; chebi:monoisotopicmass "331.13545" ; chebi:smiles "CCOC1=CC2=CC3=C(N=C2C=C1)SC(=NC)N(C3)CCOC" ; oboInOwl:hasDbXref "LINCS:LSM-15272" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103919" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-ethoxy-3-(2-methoxyethyl)-N-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine" . obo:CHEBI_10392 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17950 ; owl:deprecated true . obo:CHEBI_103920 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37942 ; chebi:charge "0" ; chebi:formula "C20H24N2O3S" ; chebi:inchi "InChI=1S/C20H24N2O3S/c1-3-17(23)21-19-18(20(24)25-4-2)15-10-11-22(13-16(15)26-19)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,21,23)" ; chebi:inchikey "KCBYZKLDQOWSAV-UHFFFAOYSA-N" ; chebi:mass "372.483" ; chebi:monoisotopicmass "372.15076" ; chebi:smiles "CCC(=O)NC1=C(C2=C(S1)CN(CC2)CC3=CC=CC=C3)C(=O)OCC" ; oboInOwl:hasDbXref "LINCS:LSM-15273" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103920" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(1-oxopropylamino)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester" . obo:CHEBI_103921 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C27H26N4O" ; chebi:inchi "InChI=1S/C27H26N4O/c32-27(29-21-13-16-31(17-14-21)19-20-8-2-1-3-9-20)23-18-26(25-12-6-7-15-28-25)30-24-11-5-4-10-22(23)24/h1-12,15,18,21H,13-14,16-17,19H2,(H,29,32)" ; chebi:inchikey "LSOIQFQNLHWNNY-UHFFFAOYSA-N" ; chebi:mass "422.523" ; chebi:monoisotopicmass "422.21066" ; chebi:smiles "C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15274" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103921" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[1-(phenylmethyl)-4-piperidinyl]-2-(2-pyridinyl)-4-quinolinecarboxamide" . obo:CHEBI_103922 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26518 ; chebi:charge "0" ; chebi:formula "C13H17N3O2" ; chebi:inchi "InChI=1S/C13H17N3O2/c17-13-9-4-7-16(8-5-9)12(13)11(15-18-13)10-3-1-2-6-14-10/h1-3,6,9,11-12,15,17H,4-5,7-8H2" ; chebi:inchikey "KLTSQZBRJBGNKN-UHFFFAOYSA-N" ; chebi:mass "247.293" ; chebi:monoisotopicmass "247.13208" ; chebi:smiles "C1CN2CCC1C3(C2C(NO3)C4=CC=CC=N4)O" ; oboInOwl:hasDbXref "LINCS:LSM-15275" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103922" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15275" . obo:CHEBI_103923 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C9H10N2O2S" ; chebi:inchi "InChI=1S/C9H10N2O2S/c10-9-11-5(4-14-9)8-6(12)2-1-3-7(8)13/h4,8H,1-3H2,(H2,10,11)" ; chebi:inchikey "AOVFNFDBPZZQBX-UHFFFAOYSA-N" ; chebi:mass "210.254" ; chebi:monoisotopicmass "210.04630" ; chebi:smiles "C1CC(=O)C(C(=O)C1)C2=CSC(=N2)N" ; oboInOwl:hasDbXref "LINCS:LSM-15276" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103923" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-amino-4-thiazolyl)cyclohexane-1,3-dione" . obo:CHEBI_103924 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38298 ; chebi:charge "0" ; chebi:formula "C25H25FN6O3" ; chebi:inchi "InChI=1S/C25H25FN6O3/c26-21-6-2-1-5-20(21)24(31-11-9-30(10-12-31)16-19-4-3-13-33-19)25-27-28-29-32(25)15-18-7-8-22-23(14-18)35-17-34-22/h1-8,13-14,24H,9-12,15-17H2" ; chebi:inchikey "RHPYTLPXMYNISV-UHFFFAOYSA-N" ; chebi:mass "476.504" ; chebi:monoisotopicmass "476.19722" ; chebi:smiles "C1CN(CCN1CC2=CC=CO2)C(C3=CC=CC=C3F)C4=NN=NN4CC5=CC6=C(C=C5)OCO6" ; oboInOwl:hasDbXref "LINCS:LSM-15277" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103924" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-(2-fluorophenyl)methyl]-4-(2-furanylmethyl)piperazine" . obo:CHEBI_103925 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C23H29FN4O3" ; chebi:inchi "InChI=1S/C23H29FN4O3/c1-16-8-12-27(13-9-16)11-3-10-25-21-7-5-18(14-22(21)28(30)31)23(29)26-19-6-4-17(2)20(24)15-19/h4-7,14-16,25H,3,8-13H2,1-2H3,(H,26,29)" ; chebi:inchikey "DBJNKIOTKAPNHU-UHFFFAOYSA-N" ; chebi:mass "428.501" ; chebi:monoisotopicmass "428.22237" ; chebi:smiles "CC1CCN(CC1)CCCNC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)F)[N+](=O)[O-]" ; oboInOwl:hasDbXref "LINCS:LSM-15278" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103925" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(3-fluoro-4-methylphenyl)-4-[3-(4-methyl-1-piperidinyl)propylamino]-3-nitrobenzamide" . obo:CHEBI_103926 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C17H18BrNO" ; chebi:inchi "InChI=1S/C17H18BrNO/c18-16-6-3-7-17(12-16)20-11-10-19-9-8-14-4-1-2-5-15(14)13-19/h1-7,12H,8-11,13H2" ; chebi:inchikey "BGVQTTPXHRMOIF-UHFFFAOYSA-N" ; chebi:mass "332.235" ; chebi:monoisotopicmass "331.05718" ; chebi:smiles "C1CN(CC2=CC=CC=C21)CCOC3=CC(=CC=C3)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15279" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103926" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline" . obo:CHEBI_103927 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24828 ; chebi:charge "0" ; chebi:formula "C12H14N2" ; chebi:inchi "InChI=1S/C12H14N2/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9/h2-4,13-14H,5-7H2,1H3" ; chebi:inchikey "SEIGTDMBJJWKGU-UHFFFAOYSA-N" ; chebi:mass "186.253" ; chebi:monoisotopicmass "186.11570" ; chebi:smiles "CC1=CC=CC2=C1NC3=C2CNCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15280" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103927" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole" . obo:CHEBI_103928 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33833 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C21H24ClN3O2S" ; chebi:inchi "InChI=1S/C21H24ClN3O2S/c1-3-24(4-2)12-6-13-25(20(26)19-7-5-14-27-19)21-23-18(15-28-21)16-8-10-17(22)11-9-16/h5,7-11,14-15H,3-4,6,12-13H2,1-2H3" ; chebi:inchikey "CTZRVLWWCNVIHZ-UHFFFAOYSA-N" ; chebi:mass "417.954" ; chebi:monoisotopicmass "417.12778" ; chebi:smiles "CCN(CC)CCCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3" ; oboInOwl:hasDbXref "LINCS:LSM-15281" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103928" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[4-(4-chlorophenyl)-2-thiazolyl]-N-[3-(diethylamino)propyl]-2-furancarboxamide" . obo:CHEBI_103929 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C22H32N2O2" ; chebi:inchi "InChI=1S/C22H32N2O2/c1-24(2)7-6-23-21(25)19-11-18(4-5-20(19)26-3)22-12-15-8-16(13-22)10-17(9-15)14-22/h4-5,11,15-17H,6-10,12-14H2,1-3H3,(H,23,25)" ; chebi:inchikey "ZNVLSXUUHIHQKB-UHFFFAOYSA-N" ; chebi:mass "356.503" ; chebi:monoisotopicmass "356.24638" ; chebi:smiles "CN(C)CCNC(=O)C1=C(C=CC(=C1)C23CC4CC(C2)CC(C4)C3)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15282" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103929" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-2-methoxybenzamide" . obo:CHEBI_10393 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26191 ; chebi:charge "0" ; chebi:formula "C42H74N8O22" ; chebi:inchi "InChI=1S/C42H74N8O22/c1-6-45-27-34(67-18(4)37(62)46-16(2)36(61)50-20(35(44)60)10-11-25(55)49-21(9-7-8-12-43)38(63)47-17(3)39(64)65)33(24(15-53)68-40(27)66)72-41-26(48-19(5)54)29(57)32(23(14-52)70-41)71-42-31(59)30(58)28(56)22(13-51)69-42/h16-18,20-24,26-34,40-42,45,51-53,56-59,66H,6-15,43H2,1-5H3,(H2,44,60)(H,46,62)(H,47,63)(H,48,54)(H,49,55)(H,50,61)(H,64,65)/t16-,17+,18?,20+,21-,22+,23+,24+,26+,27+,28-,29+,30-,31+,32+,33+,34+,40?,41-,42-/m0/s1" ; chebi:inchikey "UVSCRUWDVRYDQM-JZRPQBGFSA-N" ; chebi:mass "1043.079" ; chebi:monoisotopicmass "1042.49177" ; chebi:smiles "CCN[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(O)=O)C(N)=O" ; oboInOwl:hasDbXref "KEGG:C04819" ; oboInOwl:hasExactSynonym "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:10393" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" . _:b2143 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_10393 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "beta-D-Galactosyl-beta-1,4-N-acetyl-D-glucosaminylglycopeptide" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_103930 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_27024 ; rdfs:subClassOf obo:CHEBI_38530 ; rdfs:subClassOf obo:CHEBI_46786 ; rdfs:subClassOf obo:CHEBI_50996 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a 4-methylphenyl group and a bis(2-methoxyethyl)nitrilo group at positions 2 and 4, respectively." ; chebi:charge "0" ; chebi:formula "C21H25N3O2" ; chebi:inchi "InChI=1S/C21H25N3O2/c1-16-8-10-17(11-9-16)20-22-19-7-5-4-6-18(19)21(23-20)24(12-14-25-2)13-15-26-3/h4-11H,12-15H2,1-3H3" ; chebi:inchikey "VDENOZWXPJFATJ-UHFFFAOYSA-N" ; chebi:mass "351.450" ; chebi:monoisotopicmass "351.19468" ; chebi:smiles "CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCOC)CCOC" ; oboInOwl:hasDbXref "LINCS:LSM-15283" ; oboInOwl:hasExactSynonym "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)-4-quinazolinamine" ; oboInOwl:id "CHEBI:103930" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine" . _:b2144 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103930 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)quinazolin-4-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2145 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103930 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)-4-quinazolinamine" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103931 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C36H39N3O6" ; chebi:inchi "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1" ; chebi:inchikey "SVJMLYUFVDMUHP-XIFFEERXSA-N" ; chebi:mass "609.713" ; chebi:monoisotopicmass "609.28389" ; chebi:smiles "CC1=C([C@@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15284" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103931" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester" . obo:CHEBI_103932 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C36H39N3O6" ; chebi:inchi "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1" ; chebi:inchikey "SVJMLYUFVDMUHP-MGBGTMOVSA-N" ; chebi:mass "609.713" ; chebi:monoisotopicmass "609.28389" ; chebi:smiles "CC1=C([C@H](C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC" ; oboInOwl:hasDbXref "CAS:120054-86-6" ; oboInOwl:hasDbXref "Drug_Central:837" ; oboInOwl:hasDbXref "LINCS:LSM-15285" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "(+)-Niguldipine" ; oboInOwl:hasRelatedSynonym "(R)-Niguldipine" ; oboInOwl:hasRelatedSynonym "B 859-35" ; oboInOwl:hasRelatedSynonym "B8509-035" ; oboInOwl:hasRelatedSynonym "B859-35" ; oboInOwl:hasRelatedSynonym "niguldipine HCl" ; oboInOwl:hasRelatedSynonym "niguldipine fumarate" ; oboInOwl:hasRelatedSynonym "niguldipine hydrobromide" ; oboInOwl:hasRelatedSynonym "niguldipine hydrochloride" ; oboInOwl:id "CHEBI:103932" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4,4-diphenyl-1-piperidinyl)propyl] ester O3-methyl ester" . _:b2146 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:120054-86-6" ; rdfs:label "DrugCentral" . _:b2147 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:837" ; rdfs:label "DrugCentral" . _:b2148 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(+)-Niguldipine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2149 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "(R)-Niguldipine" ; oboInOwl:hasDbXref "DrugCentral" . _:b2150 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "B 859-35" ; oboInOwl:hasDbXref "DrugCentral" . _:b2151 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "B8509-035" ; oboInOwl:hasDbXref "DrugCentral" . _:b2152 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "B859-35" ; oboInOwl:hasDbXref "DrugCentral" . _:b2153 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "niguldipine HCl" ; oboInOwl:hasDbXref "DrugCentral" . _:b2154 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "niguldipine fumarate" ; oboInOwl:hasDbXref "DrugCentral" . _:b2155 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "niguldipine hydrobromide" ; oboInOwl:hasDbXref "DrugCentral" . _:b2156 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103932 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "niguldipine hydrochloride" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_103933 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "+1" ; chebi:formula "C22H20NO2" ; chebi:inchi "InChI=1S/C22H20NO2/c1-25-21-11-9-18(10-12-21)7-8-19-13-15-23(16-14-19)22(24)17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/q+1" ; chebi:inchikey "QHSXLFJZNQFYPQ-UHFFFAOYSA-N" ; chebi:mass "330.401" ; chebi:monoisotopicmass "330.14886" ; chebi:smiles "COC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C(=O)CC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15286" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103933" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[4-[2-(4-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]-2-phenylethanone" . obo:CHEBI_103934 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C15H23N3OS" ; chebi:inchi "InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3" ; chebi:inchikey "WGMYEOIMVYADRJ-UHFFFAOYSA-N" ; chebi:mass "293.429" ; chebi:monoisotopicmass "293.15618" ; chebi:smiles "CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C" ; oboInOwl:hasDbXref "CAS:95-27-2" ; oboInOwl:hasDbXref "Drug_Central:3725" ; oboInOwl:hasDbXref "LINCS:LSM-15287" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "diamethazole" ; oboInOwl:hasRelatedSynonym "diamthazole" ; oboInOwl:hasRelatedSynonym "diamthazole dihydrochloride" ; oboInOwl:hasRelatedSynonym "dimazole dihydrochloride" ; oboInOwl:id "CHEBI:103934" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine" . _:b2157 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:95-27-2" ; rdfs:label "DrugCentral" . _:b2158 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:3725" ; rdfs:label "DrugCentral" . _:b2159 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diamethazole" ; oboInOwl:hasDbXref "DrugCentral" . _:b2160 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diamthazole" ; oboInOwl:hasDbXref "DrugCentral" . _:b2161 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "diamthazole dihydrochloride" ; oboInOwl:hasDbXref "DrugCentral" . _:b2162 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103934 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "dimazole dihydrochloride" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_103935 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36054 ; chebi:charge "0" ; chebi:formula "C18H20N2O4" ; chebi:inchi "InChI=1S/C18H20N2O4/c1-23-16-10-6-3-7-13(16)11-12-19-18(22)20-15-9-5-4-8-14(15)17(21)24-2/h3-10H,11-12H2,1-2H3,(H2,19,20,22)" ; chebi:inchikey "BWRNPKGXNGYUDS-UHFFFAOYSA-N" ; chebi:mass "328.363" ; chebi:monoisotopicmass "328.14231" ; chebi:smiles "COC1=CC=CC=C1CCNC(=O)NC2=CC=CC=C2C(=O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15288" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103935" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[[[2-(2-methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester" . obo:CHEBI_103936 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C24H25N5O" ; chebi:inchi "InChI=1S/C24H25N5O/c1-2-7-19(8-3-1)18-28-12-14-29(15-13-28)24-26-22-11-5-4-10-21(22)23(27-24)25-17-20-9-6-16-30-20/h1-11,16H,12-15,17-18H2,(H,25,26,27)" ; chebi:inchikey "JRTQKLGEKVVPGF-UHFFFAOYSA-N" ; chebi:mass "399.489" ; chebi:monoisotopicmass "399.20591" ; chebi:smiles "C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5" ; oboInOwl:hasDbXref "LINCS:LSM-15289" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103936" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolinamine" . obo:CHEBI_103937 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83352 ; chebi:charge "0" ; chebi:formula "C21H22N2O6S2" ; chebi:inchi "InChI=1S/C21H22N2O6S2/c1-13-4-5-14(2)19(10-13)31(26,27)29-16-7-6-15(11-17(16)28-3)12-18-20(24)23(9-8-22)21(25)30-18/h4-7,10-12H,8-9,22H2,1-3H3" ; chebi:inchikey "XTFLFSBYKYFWNZ-UHFFFAOYSA-N" ; chebi:mass "462.542" ; chebi:monoisotopicmass "462.09193" ; chebi:smiles "CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CCN)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15290" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103937" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2,5-dimethylbenzenesulfonic acid [4-[[3-(2-aminoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-methoxyphenyl] ester" . obo:CHEBI_103938 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38976 ; chebi:charge "0" ; chebi:formula "C18H29NO3" ; chebi:inchi "InChI=1S/C18H29NO3/c1-13(2)16-5-7-18(8-6-16)21-12-17(20)11-19-9-14(3)22-15(4)10-19/h5-8,13-15,17,20H,9-12H2,1-4H3" ; chebi:inchikey "QNIGLMISXJYUPM-UHFFFAOYSA-N" ; chebi:mass "307.428" ; chebi:monoisotopicmass "307.21474" ; chebi:smiles "CC1CN(CC(O1)C)CC(COC2=CC=C(C=C2)C(C)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-15291" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103938" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2,6-dimethyl-4-morpholinyl)-3-(4-propan-2-ylphenoxy)-2-propanol" . obo:CHEBI_103939 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25477 ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C16H15ClN2O" ; chebi:inchi "InChI=1S/C16H15ClN2O/c17-16-14-5-2-1-4-13(14)6-7-15(16)20-11-3-9-19-10-8-18-12-19/h1-2,4-8,10,12H,3,9,11H2" ; chebi:inchikey "GTIQSTLOVFXLMS-UHFFFAOYSA-N" ; chebi:mass "286.757" ; chebi:monoisotopicmass "286.08729" ; chebi:smiles "C1=CC=C2C(=C1)C=CC(=C2Cl)OCCCN3C=CN=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15292" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103939" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-[(1-chloro-2-naphthalenyl)oxy]propyl]imidazole" . obo:CHEBI_10394 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28793 ; owl:deprecated true . obo:CHEBI_103940 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25996 ; chebi:charge "0" ; chebi:formula "C13H16ClN3O2" ; chebi:inchi "InChI=1S/C13H16ClN3O2/c1-10(18)13(17-5-7-19-8-6-17)16-15-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8H2,1H3" ; chebi:inchikey "ROWXADOVDRCHNU-UHFFFAOYSA-N" ; chebi:mass "281.738" ; chebi:monoisotopicmass "281.09310" ; chebi:smiles "CC(=O)C(=NNC1=CC(=CC=C1)Cl)N2CCOCC2" ; oboInOwl:hasDbXref "LINCS:LSM-15293" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103940" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3-chlorophenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone" . obo:CHEBI_103941 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_83565 ; chebi:charge "0" ; chebi:formula "C12H12F3N3OS" ; chebi:inchi "InChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)" ; chebi:inchikey "GSRUSEGVJQGBQN-UHFFFAOYSA-N" ; chebi:mass "303.305" ; chebi:monoisotopicmass "303.06532" ; chebi:smiles "C1CN=C(N1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F" ; oboInOwl:hasDbXref "LINCS:LSM-15294" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103941" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide" . obo:CHEBI_103942 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36820 ; rdfs:subClassOf obo:CHEBI_46685 ; chebi:charge "0" ; chebi:formula "C15H19N3O" ; chebi:inchi "InChI=1S/C15H19N3O/c1-12-7-9-18(10-8-12)11-14-16-15(17-19-14)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3" ; chebi:inchikey "YUAKFILGFPHOCL-UHFFFAOYSA-N" ; chebi:mass "257.331" ; chebi:monoisotopicmass "257.15281" ; chebi:smiles "CC1CCN(CC1)CC2=NC(=NO2)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15295" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103942" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-[(4-methyl-1-piperidinyl)methyl]-3-phenyl-1,2,4-oxadiazole" . obo:CHEBI_103943 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48513 ; chebi:charge "0" ; chebi:formula "C16H19ClN2" ; chebi:inchi "InChI=1S/C16H19ClN2/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19/h6-7,10,15H,2-5,8-9H2,1H3" ; chebi:inchikey "NHESABHACNFJOA-UHFFFAOYSA-N" ; chebi:mass "274.789" ; chebi:monoisotopicmass "274.12368" ; chebi:smiles "CCN1CCN2C3=C(C=C(C=C3)Cl)C4=C2C1CCC4" ; oboInOwl:hasDbXref "LINCS:LSM-15296" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103943" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15296" . obo:CHEBI_103944 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C22H31N3O2" ; chebi:inchi "InChI=1S/C22H31N3O2/c1-22(2,3)19-8-4-5-9-20(19)27-17-18(26)16-24-12-14-25(15-13-24)21-10-6-7-11-23-21/h4-11,18,26H,12-17H2,1-3H3" ; chebi:inchikey "YENLLNJHGZJVBY-UHFFFAOYSA-N" ; chebi:mass "369.501" ; chebi:monoisotopicmass "369.24163" ; chebi:smiles "CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O" ; oboInOwl:hasDbXref "LINCS:LSM-15297" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103944" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-tert-butylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol" . obo:CHEBI_103945 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C19H22BrN3OS2" ; chebi:inchi "InChI=1S/C19H22BrN3OS2/c1-12-6-7-14-17(13(12)2)21-19(26-14)23(11-5-10-22(3)4)18(24)15-8-9-16(20)25-15/h6-9H,5,10-11H2,1-4H3" ; chebi:inchikey "OQRUBFMHLUDBBU-UHFFFAOYSA-N" ; chebi:mass "452.434" ; chebi:monoisotopicmass "451.03877" ; chebi:smiles "CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(S3)Br)C" ; oboInOwl:hasDbXref "LINCS:LSM-15298" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103945" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-bromo-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide" . obo:CHEBI_103946 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48739 ; chebi:charge "0" ; chebi:formula "C23H26ClN3OS" ; chebi:inchi "InChI=1S/C23H26ClN3OS/c1-26(2)12-5-13-27(23-25-20-11-10-19(24)15-21(20)29-23)22(28)18-9-8-16-6-3-4-7-17(16)14-18/h8-11,14-15H,3-7,12-13H2,1-2H3" ; chebi:inchikey "QRLKDFRBQFZOLB-UHFFFAOYSA-N" ; chebi:mass "427.992" ; chebi:monoisotopicmass "427.14851" ; chebi:smiles "CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC4=C(CCCC4)C=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15299" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103946" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide" . obo:CHEBI_103947 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48901 ; chebi:charge "0" ; chebi:formula "C9H9N3S" ; chebi:inchi "InChI=1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)" ; chebi:inchikey "VTOUNUQLXMNNMQ-UHFFFAOYSA-N" ; chebi:mass "191.254" ; chebi:monoisotopicmass "191.05172" ; chebi:smiles "C1=CC=C(C=C1)C2=CSC(=N2)NN" ; oboInOwl:hasDbXref "LINCS:LSM-15300" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103947" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(4-phenyl-2-thiazolyl)hydrazine" . obo:CHEBI_103948 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25235 ; rdfs:subClassOf obo:CHEBI_38530 ; rdfs:subClassOf obo:CHEBI_48975 ; rdfs:subClassOf obo:CHEBI_50995 ; obo:IAO_0000115 "A member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4." ; chebi:charge "0" ; chebi:formula "C15H13N3O" ; chebi:inchi "InChI=1S/C15H13N3O/c1-19-12-6-4-5-11(9-12)18-15-13-7-2-3-8-14(13)16-10-17-15/h2-10H,1H3,(H,16,17,18)" ; chebi:inchikey "LCYPRFCDTJTQPG-UHFFFAOYSA-N" ; chebi:mass "251.289" ; chebi:monoisotopicmass "251.10586" ; chebi:smiles "COC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32" ; oboInOwl:hasDbXref "LINCS:LSM-15301" ; oboInOwl:hasDbXref "PMID:7658435" ; oboInOwl:hasDbXref "Patent:EP0520722" ; oboInOwl:hasExactSynonym "N-(3-methoxyphenyl)quinazolin-4-amine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "N-(3-methoxyphenyl)-4-quinazolinamine" ; oboInOwl:id "CHEBI:103948" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "N-(3-methoxyphenyl)quinazolin-4-amine" . _:b2163 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103948 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:7658435" ; rdfs:label "Europe PMC" . _:b2164 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103948 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-(3-methoxyphenyl)quinazolin-4-amine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2165 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103948 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(3-methoxyphenyl)-4-quinazolinamine" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103949 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35352 ; rdfs:subClassOf obo:CHEBI_36963 . _:b2166 rdf:type owl:Restriction . obo:CHEBI_103949 rdfs:subClassOf _:b2166 . _:b2166 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_33706 . obo:CHEBI_103949 chebi:charge "0" ; chebi:formula "C18H28N2O3" ; chebi:inchi "InChI=1S/C18H28N2O3/c1-4-8-20(13-14-5-6-14)9-7-18(21)19-15-10-16(22-2)12-17(11-15)23-3/h10-12,14H,4-9,13H2,1-3H3,(H,19,21)" ; chebi:inchikey "LKCKBYJFXFKLGE-UHFFFAOYSA-N" ; chebi:mass "320.427" ; chebi:monoisotopicmass "320.20999" ; chebi:smiles "CCCN(CCC(=O)NC1=CC(=CC(=C1)OC)OC)CC2CC2" ; oboInOwl:hasDbXref "LINCS:LSM-15302" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103949" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[cyclopropylmethyl(propyl)amino]-N-(3,5-dimethoxyphenyl)propanamide" . obo:CHEBI_10395 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28860 ; owl:deprecated true . obo:CHEBI_103950 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_33860 ; chebi:charge "0" ; chebi:formula "C12H16BrN5OS" ; chebi:inchi "InChI=1S/C12H16BrN5OS/c1-18-12(15-16-17-18)20-6-5-14-8-9-7-10(13)3-4-11(9)19-2/h3-4,7,14H,5-6,8H2,1-2H3" ; chebi:inchikey "MWVFSBOSJAKLQG-UHFFFAOYSA-N" ; chebi:mass "358.258" ; chebi:monoisotopicmass "357.02589" ; chebi:smiles "CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15303" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103950" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine" . obo:CHEBI_103951 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35683 ; chebi:charge "0" ; chebi:formula "C12H15N3OS" ; chebi:inchi "InChI=1S/C12H15N3OS/c1-15(2)8-9-17-12-14-13-11(16-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3" ; chebi:inchikey "YSGAMTVFIHHPJH-UHFFFAOYSA-N" ; chebi:mass "249.334" ; chebi:monoisotopicmass "249.09358" ; chebi:smiles "CN(C)CCSC1=NN=C(O1)C2=CC=CC=C2" ; oboInOwl:hasDbXref "LINCS:LSM-15304" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103951" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine" . obo:CHEBI_103952 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26420 ; rdfs:subClassOf obo:CHEBI_33859 ; chebi:charge "+1" ; chebi:formula "C27H24N3O2" ; chebi:inchi "InChI=1S/C27H23N3O2/c31-27(25-15-17-30(18-16-25)20-23-7-3-1-4-8-23)29-28-19-22-11-13-26(14-12-22)32-21-24-9-5-2-6-10-24/h1-19H,20-21H2/p+1" ; chebi:inchikey "AFDKQPMETSOVMT-UHFFFAOYSA-O" ; chebi:mass "422.499" ; chebi:monoisotopicmass "422.18630" ; chebi:smiles "C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15305" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103952" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[(4-phenylmethoxyphenyl)methylideneamino]-1-(phenylmethyl)-4-pyridin-1-iumcarboxamide" . obo:CHEBI_103953 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H15N3O" ; chebi:inchi "InChI=1S/C18H15N3O/c1-2-15-20-16-13-10-6-7-11-14(13)22-17(16)18(21-15)19-12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,19,20,21)" ; chebi:inchikey "VREFWGRWFUFDMN-UHFFFAOYSA-N" ; chebi:mass "289.332" ; chebi:monoisotopicmass "289.12151" ; chebi:smiles "CCC1=NC2=C(C(=N1)NC3=CC=CC=C3)OC4=CC=CC=C42" ; oboInOwl:hasDbXref "LINCS:LSM-15306" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103953" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-ethyl-N-phenyl-4-benzofuro[3,2-d]pyrimidinamine" . obo:CHEBI_103954 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37143 ; chebi:charge "0" ; chebi:formula "C21H31FN6" ; chebi:inchi "InChI=1S/C21H31FN6/c1-2-20(27-14-12-26(13-15-27)19-6-4-3-5-7-19)21-23-24-25-28(21)16-17-8-10-18(22)11-9-17/h8-11,19-20H,2-7,12-16H2,1H3" ; chebi:inchikey "SYXLOOHCNOJAFE-UHFFFAOYSA-N" ; chebi:mass "386.510" ; chebi:monoisotopicmass "386.25942" ; chebi:smiles "CCC(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)C4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-15307" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103954" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]propyl]piperazine" . obo:CHEBI_103955 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38785 ; chebi:charge "0" ; chebi:formula "C14H19BrN2O3" ; chebi:inchi "InChI=1S/C14H19BrN2O3/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)" ; chebi:inchikey "XLUVCBOJTSJKTB-UHFFFAOYSA-N" ; chebi:mass "343.216" ; chebi:monoisotopicmass "342.05791" ; chebi:smiles "C1COCCN1CCCNC(=O)C=CC2=CC=C(O2)Br" ; oboInOwl:hasDbXref "LINCS:LSM-15308" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103955" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(5-bromo-2-furanyl)-N-[3-(4-morpholinyl)propyl]-2-propenamide" . obo:CHEBI_103956 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26776 ; chebi:charge "0" ; chebi:formula "C21H27NO3" ; chebi:inchi "InChI=1S/C21H27NO3/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22/h3-11,20-21,23H,2,12-16H2,1H3" ; chebi:inchikey "RTHRSTWGVRVJQO-UHFFFAOYSA-N" ; chebi:mass "341.445" ; chebi:monoisotopicmass "341.19909" ; chebi:smiles "CCOC1=CC=C(C=C1)C(C(CN2CCOCC2)C3=CC=CC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-15309" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103956" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(4-ethoxyphenyl)-3-(4-morpholinyl)-2-phenyl-1-propanol" . obo:CHEBI_103957 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38830 ; chebi:charge "0" ; chebi:formula "C19H24N2O3" ; chebi:inchi "InChI=1S/C19H24N2O3/c1-19(2)10-14-6-5-8-17(18(14)24-19)23-13-16(22)12-20-11-15-7-3-4-9-21-15/h3-9,16,20,22H,10-13H2,1-2H3" ; chebi:inchikey "QEWSBKDMGYPSBU-UHFFFAOYSA-N" ; chebi:mass "328.406" ; chebi:monoisotopicmass "328.17869" ; chebi:smiles "CC1(CC2=C(O1)C(=CC=C2)OCC(CNCC3=CC=CC=N3)O)C" ; oboInOwl:hasDbXref "LINCS:LSM-15310" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103957" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-3-(2-pyridinylmethylamino)-2-propanol" . obo:CHEBI_103958 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_48912 ; chebi:charge "0" ; chebi:formula "C21H23FN8" ; chebi:inchi "InChI=1S/C21H23FN8/c22-17-6-7-20-19(14-17)23-26-30(20)18-9-11-28(12-10-18)15-21-24-25-27-29(21)13-8-16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2" ; chebi:inchikey "IFIMIYHYVWTQAX-UHFFFAOYSA-N" ; chebi:mass "406.460" ; chebi:monoisotopicmass "406.20297" ; chebi:smiles "C1CN(CCC1N2C3=C(C=C(C=C3)F)N=N2)CC4=NN=NN4CCC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15311" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103958" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-fluoro-1-[1-[[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-piperidinyl]benzotriazole" . obo:CHEBI_103959 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; rdfs:subClassOf obo:CHEBI_26421 ; chebi:charge "0" ; chebi:formula "C15H17Cl2N3" ; chebi:inchi "InChI=1S/C15H17Cl2N3/c16-4-6-19-7-9-20(10-8-19)15-3-5-18-14-11-12(17)1-2-13(14)15/h1-3,5,11H,4,6-10H2" ; chebi:inchikey "DKALJSKWAPJDDK-UHFFFAOYSA-N" ; chebi:mass "310.222" ; chebi:monoisotopicmass "309.07995" ; chebi:smiles "C1CN(CCN1CCCl)C2=C3C=CC(=CC3=NC=C2)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15312" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103959" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "7-chloro-4-[4-(2-chloroethyl)-1-piperazinyl]quinoline" . obo:CHEBI_10396 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28393 ; owl:deprecated true . obo:CHEBI_103960 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C26H34ClN3O5S" ; chebi:inchi "InChI=1S/C26H34ClN3O5S/c1-3-29(4-2)17-18-35-26(32)20-9-12-22(13-10-20)28-25(31)21-11-14-23(27)24(19-21)36(33,34)30-15-7-5-6-8-16-30/h9-14,19H,3-8,15-18H2,1-2H3,(H,28,31)" ; chebi:inchikey "IXBZKSGTYRHANP-UHFFFAOYSA-N" ; chebi:mass "536.085" ; chebi:monoisotopicmass "535.19077" ; chebi:smiles "CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15313" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103960" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid 2-(diethylamino)ethyl ester" . obo:CHEBI_103961 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22888 ; chebi:charge "0" ; chebi:formula "C17H22N2O" ; chebi:inchi "InChI=1S/C17H22N2O/c20-13-12-18-10-11-19-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14H2" ; chebi:inchikey "KQHVPQPDJJPAAU-UHFFFAOYSA-N" ; chebi:mass "270.370" ; chebi:monoisotopicmass "270.17321" ; chebi:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)CNCCNCCO" ; oboInOwl:hasDbXref "LINCS:LSM-15314" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103961" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[2-[(4-phenylphenyl)methylamino]ethylamino]ethanol" . obo:CHEBI_103962 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_64096 ; chebi:charge "0" ; chebi:formula "C11H10N2O2S" ; chebi:inchi "InChI=1S/C11H10N2O2S/c12-11-13-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H2,12,13)" ; chebi:inchikey "QNDNSJKGUGRQDK-UHFFFAOYSA-N" ; chebi:mass "234.276" ; chebi:monoisotopicmass "234.04630" ; chebi:smiles "C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)N" ; oboInOwl:hasDbXref "LINCS:LSM-15315" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103962" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolamine" . obo:CHEBI_103963 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C20H21Cl2NO" ; chebi:inchi "InChI=1S/C20H21Cl2NO/c21-17-5-1-3-15(11-17)20(24,16-4-2-6-18(22)12-16)19-13-23-9-7-14(19)8-10-23/h1-6,11-12,14,19,24H,7-10,13H2" ; chebi:inchikey "LLAWTBLIBJUONA-UHFFFAOYSA-N" ; chebi:mass "362.293" ; chebi:monoisotopicmass "361.10002" ; chebi:smiles "C1CN2CCC1C(C2)C(C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)Cl)O" ; oboInOwl:hasDbXref "LINCS:LSM-15316" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103963" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-azabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol" . obo:CHEBI_103964 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C11H10N2O" ; chebi:inchi "InChI=1S/C11H10N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7H,5-6H2,(H,12,13)" ; chebi:inchikey "YTJOHEUHUVBKSB-UHFFFAOYSA-N" ; chebi:mass "186.210" ; chebi:monoisotopicmass "186.07931" ; chebi:smiles "C1CN=C(N1)C2=CC3=CC=CC=C3O2" ; oboInOwl:hasDbXref "LINCS:LSM-15317" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103964" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-benzofuranyl)-4,5-dihydro-1H-imidazole" . obo:CHEBI_103965 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C9H8N2O" ; chebi:inchi "InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)" ; chebi:inchikey "SVASVGVAQIVSEZ-UHFFFAOYSA-N" ; chebi:mass "160.173" ; chebi:monoisotopicmass "160.06366" ; chebi:smiles "C1=CC2=C(C=CNC2=O)C(=C1)N" ; oboInOwl:hasDbXref "LINCS:LSM-15318" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103965" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-amino-2H-isoquinolin-1-one" . obo:CHEBI_103966 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38444 ; chebi:charge "0" ; chebi:formula "C16H17NO3" ; chebi:inchi "InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1" ; chebi:inchikey "SUHGRZPINGKYNV-GJZGRUSLSA-N" ; chebi:mass "271.312" ; chebi:monoisotopicmass "271.12084" ; chebi:smiles "C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15319" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103966" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol" . obo:CHEBI_103967 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C7H8ClN3" ; chebi:inchi "InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)" ; chebi:inchikey "ZSJNJAJDBNFVCA-UHFFFAOYSA-N" ; chebi:mass "169.612" ; chebi:monoisotopicmass "169.04067" ; chebi:smiles "C1=CC(=CC=C1N=C(N)N)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15320" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103967" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-chlorophenyl)guanidine" . obo:CHEBI_103968 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_143212 ; rdfs:subClassOf obo:CHEBI_27171 ; rdfs:subClassOf obo:CHEBI_38101 ; rdfs:subClassOf obo:CHEBI_38106 ; chebi:charge "0" ; chebi:formula "C16H17N3S" ; chebi:inchi "InChI=1S/C16H17N3S/c1-3-13-9-14-15(18-11(2)19-16(14)20-13)17-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,17,18,19)" ; chebi:inchikey "XMEMQJRLEKJRSV-UHFFFAOYSA-N" ; chebi:mass "283.393" ; chebi:monoisotopicmass "283.11432" ; chebi:smiles "CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15321" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103968" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-ethyl-2-methyl-N-(phenylmethyl)-4-thieno[2,3-d]pyrimidinamine" . obo:CHEBI_103969 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C19H19N5O" ; chebi:inchi "InChI=1S/C19H19N5O/c1-13-18(19(25)24(23(13)2)14-8-4-3-5-9-14)20-12-17-21-15-10-6-7-11-16(15)22-17/h3-11,20H,12H2,1-2H3,(H,21,22)" ; chebi:inchikey "UDDKKSYJXXGONM-UHFFFAOYSA-N" ; chebi:mass "333.388" ; chebi:monoisotopicmass "333.15896" ; chebi:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=NC4=CC=CC=C4N3" ; oboInOwl:hasDbXref "LINCS:LSM-15322" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103969" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(1H-benzimidazol-2-ylmethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone" . obo:CHEBI_10397 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15903 ; owl:deprecated true . obo:CHEBI_103970 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C24H31N3O3S2" ; chebi:inchi "InChI=1S/C24H31N3O3S2/c1-5-26(6-2)13-14-27(24-25-23-19(4)16-18(3)17-21(23)31-24)22(28)12-15-32(29,30)20-10-8-7-9-11-20/h7-11,16-17H,5-6,12-15H2,1-4H3" ; chebi:inchikey "TYWFUHXAJCCBFU-UHFFFAOYSA-N" ; chebi:mass "473.654" ; chebi:monoisotopicmass "473.18068" ; chebi:smiles "CCN(CC)CCN(C1=NC2=C(C=C(C=C2S1)C)C)C(=O)CCS(=O)(=O)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15323" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103970" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide" . obo:CHEBI_103971 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C23H24ClN3O4S2" ; chebi:inchi "InChI=1S/C23H24ClN3O4S2/c24-17-7-9-18(10-8-17)33(29,30)26-20-5-2-1-4-19(20)23(28)25-16-21(22-6-3-15-32-22)27-11-13-31-14-12-27/h1-10,15,21,26H,11-14,16H2,(H,25,28)" ; chebi:inchikey "NPRHIOZJUCSTDW-UHFFFAOYSA-N" ; chebi:mass "506.040" ; chebi:monoisotopicmass "505.08968" ; chebi:smiles "C1COCCN1C(CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4" ; oboInOwl:hasDbXref "LINCS:LSM-15324" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103971" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]benzamide" . obo:CHEBI_103972 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C17H15N3O2S" ; chebi:inchi "InChI=1S/C17H15N3O2S/c18-17-20(10-11-23-17)12-16(21)19-14-8-4-5-9-15(14)22-13-6-2-1-3-7-13/h1-11,18H,12H2,(H,19,21)" ; chebi:inchikey "XSWLGKVTOCFBBQ-UHFFFAOYSA-N" ; chebi:mass "325.387" ; chebi:monoisotopicmass "325.08850" ; chebi:smiles "C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CN3C=CSC3=N" ; oboInOwl:hasDbXref "LINCS:LSM-15325" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103972" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-imino-3-thiazolyl)-N-(2-phenoxyphenyl)acetamide" . obo:CHEBI_103973 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H32N4O" ; chebi:inchi "InChI=1S/C26H32N4O/c1-18-7-8-23-21(15-18)22-16-30(10-9-24(22)27-23)26(31)17-28-11-13-29(14-12-28)25-6-4-5-19(2)20(25)3/h4-8,15,27H,9-14,16-17H2,1-3H3" ; chebi:inchikey "RBAQJKQTFAIPRX-UHFFFAOYSA-N" ; chebi:mass "416.559" ; chebi:monoisotopicmass "416.25761" ; chebi:smiles "CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC(=C5C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15326" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103973" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone" . obo:CHEBI_103974 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C17H25NO" ; chebi:inchi "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2" ; chebi:inchikey "YSSBJODGIYRAMI-UHFFFAOYSA-N" ; chebi:mass "259.387" ; chebi:monoisotopicmass "259.19361" ; chebi:smiles "C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O" ; oboInOwl:hasDbXref "LINCS:LSM-15327" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103974" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(4-phenyl-1-piperidinyl)-1-cyclohexanol" . obo:CHEBI_103975 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C21H24ClNO" ; chebi:inchi "InChI=1S/C21H24ClNO/c1-23-18-11-12-19(23)14-20(13-18)24-21(15-5-3-2-4-6-15)16-7-9-17(22)10-8-16/h2-10,18-21H,11-14H2,1H3" ; chebi:inchikey "OCAXFDULERPAJM-UHFFFAOYSA-N" ; chebi:mass "341.875" ; chebi:monoisotopicmass "341.15464" ; chebi:smiles "CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15328" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103975" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane" . obo:CHEBI_103976 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "+1" ; chebi:formula "C21H20NO6" ; chebi:inchi "InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18?,19-/m1/s1" ; chebi:inchikey "WDIQXKYUSINZME-MUMRKEEXSA-N" ; chebi:mass "382.387" ; chebi:monoisotopicmass "382.12851" ; chebi:smiles "C[N+]1(CCC2=CC3=C(C=C2C1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C" ; oboInOwl:hasDbXref "LINCS:LSM-15329" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103976" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "LSM-15329" . obo:CHEBI_103977 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46874 ; chebi:charge "0" ; chebi:formula "C16H16ClNO2S" ; chebi:inchi "InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3" ; chebi:inchikey "GKTWGGQPFAXNFI-UHFFFAOYSA-N" ; chebi:mass "321.823" ; chebi:monoisotopicmass "321.05903" ; chebi:smiles "COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3" ; oboInOwl:hasDbXref "LINCS:LSM-15331" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103977" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester" . obo:CHEBI_103978 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38444 ; chebi:charge "0" ; chebi:formula "C19H20ClNO2" ; chebi:inchi "InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3" ; chebi:inchikey "HIVBATDUVFEJFZ-UHFFFAOYSA-N" ; chebi:mass "329.821" ; chebi:monoisotopicmass "329.11826" ; chebi:smiles "CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15332" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103978" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one" . obo:CHEBI_103979 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35618 ; chebi:charge "0" ; chebi:formula "C9H11N3O4" ; chebi:inchi "InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8?/m1/s1" ; chebi:inchikey "BBDAGFIXKZCXAH-STUHELBRSA-N" ; chebi:mass "225.202" ; chebi:monoisotopicmass "225.07496" ; chebi:smiles "C1=CN2C3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N" ; oboInOwl:hasDbXref "LINCS:LSM-15333" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103979" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2R,3R,3aS)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol" . obo:CHEBI_10398 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_16218 ; owl:deprecated true . obo:CHEBI_103980 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26151 ; chebi:charge "0" ; chebi:formula "C17H25NO3" ; chebi:inchi "InChI=1S/C17H25NO3/c1-12-14(10-11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,10-11H2,1-4H3" ; chebi:inchikey "SXLHPJQSZRLJAE-UHFFFAOYSA-N" ; chebi:mass "291.386" ; chebi:monoisotopicmass "291.18344" ; chebi:smiles "CC1C(CCC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O" ; oboInOwl:hasDbXref "LINCS:LSM-15334" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103980" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-hydroxy-2-phenylacetic acid (1,2,6,6-tetramethyl-3-piperidinyl) ester" . obo:CHEBI_103981 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22160 ; chebi:charge "0" ; chebi:formula "C19H26Cl2N2O" ; chebi:inchi "InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3" ; chebi:inchikey "VQLPLYSROCPWFF-UHFFFAOYSA-N" ; chebi:mass "369.329" ; chebi:monoisotopicmass "368.14222" ; chebi:smiles "CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15335" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103981" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(3,4-dichlorophenyl)-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]acetamide" . obo:CHEBI_103982 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36586 ; rdfs:subClassOf obo:CHEBI_36684 ; chebi:charge "0" ; chebi:formula "C18H24Cl2N2O" ; chebi:inchi "InChI=1S/C18H24Cl2N2O/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22/h8-9,12,16-17H,2-7,10-11H2,1H3" ; chebi:inchikey "JUBNVWGVNWIXMB-UHFFFAOYSA-N" ; chebi:mass "355.303" ; chebi:monoisotopicmass "354.12657" ; chebi:smiles "CN(C1CCCCC1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15336" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103982" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzamide" . obo:CHEBI_103983 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25409 ; chebi:charge "0" ; chebi:formula "C10H17N" ; chebi:inchi "InChI=1S/C10H17N/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9H,1,4-5,11H2,2-3H3" ; chebi:inchikey "ZEKALTOSWFXTCN-UHFFFAOYSA-N" ; chebi:mass "151.249" ; chebi:monoisotopicmass "151.13610" ; chebi:smiles "CC1(C2CC1C(=C)C(C2)N)C" ; oboInOwl:hasDbXref "LINCS:LSM-15337" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103983" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanamine" . obo:CHEBI_103984 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C20H20N2O" ; chebi:inchi "InChI=1S/C20H20N2O/c1-15-14-20(21-19-5-3-2-4-18(15)19)16-6-8-17(9-7-16)22-10-12-23-13-11-22/h2-9,14H,10-13H2,1H3" ; chebi:inchikey "XGSZPPXEIDZEMS-UHFFFAOYSA-N" ; chebi:mass "304.386" ; chebi:monoisotopicmass "304.15756" ; chebi:smiles "CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)N4CCOCC4" ; oboInOwl:hasDbXref "LINCS:LSM-15339" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103984" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[4-(4-methyl-2-quinolinyl)phenyl]morpholine" . obo:CHEBI_103985 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22278 ; chebi:charge "0" ; chebi:formula "C9H13N5O3" ; chebi:inchi "InChI=1S/C9H13N5O3/c1-4(10)7(15)14-11-3-6-5(2)12-9(17)13-8(6)16/h3-4,11H,10H2,1-2H3,(H,14,15)(H,13,16,17)/t4-/m0/s1" ; chebi:inchikey "KYEHEASYLXXMLP-BYPYZUCNSA-N" ; chebi:mass "239.232" ; chebi:monoisotopicmass "239.10184" ; chebi:smiles "CC1=NC(=O)NC(=O)C1=CNNC(=O)[C@H](C)N" ; oboInOwl:hasDbXref "LINCS:LSM-15340" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103985" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S)-2-amino-N'-[(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]propanehydrazide" . obo:CHEBI_103986 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46867 ; chebi:charge "0" ; chebi:formula "C18H18BrN3O3" ; chebi:inchi "InChI=1S/C18H18BrN3O3/c1-3-25-18(24)17-12-8-16(23)13(19)9-14(12)22(2)15(17)10-21-11-4-6-20-7-5-11/h4-9,23H,3,10H2,1-2H3,(H,20,21)" ; chebi:inchikey "KWEKHEFJSXTKGY-UHFFFAOYSA-N" ; chebi:mass "404.258" ; chebi:monoisotopicmass "403.05315" ; chebi:smiles "CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15341" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103986" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester" . obo:CHEBI_103987 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35748 ; chebi:charge "0" ; chebi:formula "C13H19NO2" ; chebi:inchi "InChI=1S/C13H19NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3" ; chebi:inchikey "LXELBKKGSDJSKX-UHFFFAOYSA-N" ; chebi:mass "221.296" ; chebi:monoisotopicmass "221.14158" ; chebi:smiles "CN(C)CCOC(=O)CCC1=CC=CC=C1" ; oboInOwl:hasDbXref "LINCS:LSM-15342" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103987" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3-phenylpropanoic acid 2-(dimethylamino)ethyl ester" . obo:CHEBI_103988 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35727 ; chebi:charge "0" ; chebi:formula "C9H12N6S" ; chebi:inchi "InChI=1S/C9H12N6S/c1-2-8-12-14-9(15(8)10)13-11-6-7-4-3-5-16-7/h3-6H,2,10H2,1H3,(H,13,14)" ; chebi:inchikey "ZPURJGAZDHFZJW-UHFFFAOYSA-N" ; chebi:mass "236.298" ; chebi:monoisotopicmass "236.08442" ; chebi:smiles "CCC1=NN=C(N1N)NN=CC2=CC=CS2" ; oboInOwl:hasDbXref "LINCS:LSM-15343" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103988" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-ethyl-N3-(thiophen-2-ylmethylideneamino)-1,2,4-triazole-3,4-diamine" . obo:CHEBI_103989 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22950 ; obo:IAO_0000115 "A butan-4-olide having a methylene group at the 3-position and two methyl substituents at the 5-position." ; chebi:charge "0" ; chebi:formula "C7H10O2" ; chebi:inchi "InChI=1S/C7H10O2/c1-5-4-7(2,3)9-6(5)8/h1,4H2,2-3H3" ; chebi:inchikey "YYSDNLZCJQMZCZ-UHFFFAOYSA-N" ; chebi:mass "126.15310" ; chebi:monoisotopicmass "126.06808" ; chebi:smiles "CC1(C)CC(=C)C(=O)O1" ; oboInOwl:hasDbXref "Beilstein:107523" ; oboInOwl:hasDbXref "PMID:7411546" ; oboInOwl:hasDbXref "PMID:8075360" ; oboInOwl:hasDbXref "PMID:8075361" ; oboInOwl:hasDbXref "Reaxys:107523" ; oboInOwl:hasExactSynonym "5,5-dimethyl-3-methylideneoxolan-2-one" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4,5-dihydro-5,5-dimethyl-3-methylene-(3H)-furan-2-one" ; oboInOwl:hasRelatedSynonym "5,5-dimethyl-3-methylenedihydrofuran-2(3H)-one" ; oboInOwl:hasRelatedSynonym "gamma,gamma-dimethyl-alpha-methylene-gamma-butyrolactone" ; oboInOwl:id "CHEBI:103989" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "5,5-dimethyl-3-methylenedihydrofuran-2-one" . _:b2167 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:107523" ; rdfs:label "Beilstein" . _:b2168 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:7411546" ; rdfs:label "Europe PMC" . _:b2169 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8075360" ; rdfs:label "Europe PMC" . _:b2170 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:8075361" ; rdfs:label "Europe PMC" . _:b2171 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:107523" ; rdfs:label "Reaxys" . _:b2172 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5,5-dimethyl-3-methylideneoxolan-2-one" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2173 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4,5-dihydro-5,5-dimethyl-3-methylene-(3H)-furan-2-one" ; oboInOwl:hasDbXref "ChEBI" . _:b2174 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "5,5-dimethyl-3-methylenedihydrofuran-2(3H)-one" ; oboInOwl:hasDbXref "IUPAC" . _:b2175 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103989 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "gamma,gamma-dimethyl-alpha-methylene-gamma-butyrolactone" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_10399 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_17719 ; owl:deprecated true . obo:CHEBI_103990 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b2176 rdf:type owl:Restriction . obo:CHEBI_103990 rdfs:subClassOf _:b2176 . _:b2176 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_103990 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as tetradec-7-enoyl." ; chebi:charge "0" ; chebi:formula "C40H69N3O15P2" ; chebi:inchi "InChI=1S/C40H69N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-35(44)53-29-32(56-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-59(49,50)58-60(51,52)55-31-33-37(46)38(47)39(57-33)43-28-27-34(41)42-40(43)48/h13-16,27-28,32-33,37-39,46-47H,3-12,17-26,29-31H2,1-2H3,(H,49,50)(H,51,52)(H2,41,42,48)/t32-,33-,37-,38-,39-/m1/s1" ; chebi:inchikey "VDJIEKQUDMPHPA-WNAWUNHNSA-N" ; chebi:mass "893.936" ; chebi:monoisotopicmass "893.42039" ; chebi:smiles "O(C[C@@H](COC(CCCCCC=CCCCCCC)=O)OC(CCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "5'-O-[{[{(2R)-2,3-bis[(tetradec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "CDP-1,2-ditetradec-7-enoyl-sn-glycerol" ; oboInOwl:hasRelatedSynonym "CDP-1,2-ditetradec-7-enoylglycerol" ; oboInOwl:hasRelatedSynonym "CDP-DG(14:1/14:1)" ; oboInOwl:id "CHEBI:103990" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-ditetradec-7-enoyl-sn-glycero-3-cytidine 5'-diphosphate" . _:b2177 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103990 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b2178 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103990 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5'-O-[{[{(2R)-2,3-bis[(tetradec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2179 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103990 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-ditetradec-7-enoyl-sn-glycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b2180 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103990 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-ditetradec-7-enoylglycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b2181 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_103990 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-DG(14:1/14:1)" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_103991 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C18H27N5" ; chebi:inchi "InChI=1S/C18H27N5/c1-14-10-12-22(13-11-14)16(15-8-6-5-7-9-15)17-19-20-21-23(17)18(2,3)4/h5-9,14,16H,10-13H2,1-4H3" ; chebi:inchikey "NZNYJLMJUZNUEJ-UHFFFAOYSA-N" ; chebi:mass "313.441" ; chebi:monoisotopicmass "313.22665" ; chebi:smiles "CC1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3C(C)(C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15345" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103991" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-methylpiperidine" . obo:CHEBI_103992 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_37947 ; chebi:charge "0" ; chebi:formula "C19H25N3O3S" ; chebi:inchi "InChI=1S/C19H25N3O3S/c1-21(2)8-9-22(18(23)13-6-4-3-5-7-13)19-20-14-10-15-16(25-12-24-15)11-17(14)26-19/h10-11,13H,3-9,12H2,1-2H3" ; chebi:inchikey "YSQYZUUQAGHGFJ-UHFFFAOYSA-N" ; chebi:mass "375.487" ; chebi:monoisotopicmass "375.16166" ; chebi:smiles "CN(C)CCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4CCCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-15346" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103992" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(dimethylamino)ethyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)cyclohexanecarboxamide" . obo:CHEBI_103993 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36683 ; chebi:charge "0" ; chebi:formula "C18H27ClN6" ; chebi:inchi "InChI=1S/C18H27ClN6/c1-5-18(2,3)25-17(20-21-22-25)16(14-6-8-15(19)9-7-14)24-12-10-23(4)11-13-24/h6-9,16H,5,10-13H2,1-4H3" ; chebi:inchikey "GVHBAMOZUBPHBK-UHFFFAOYSA-N" ; chebi:mass "362.901" ; chebi:monoisotopicmass "362.19857" ; chebi:smiles "CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C" ; oboInOwl:hasDbXref "LINCS:LSM-15347" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103993" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(4-chlorophenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-methylpiperazine" . obo:CHEBI_103994 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_46848 ; chebi:charge "0" ; chebi:formula "C17H17N5O2" ; chebi:inchi "InChI=1S/C17H17N5O2/c18-15-12-4-1-2-5-13(12)19-17(20-15)22-9-7-21(8-10-22)16(23)14-6-3-11-24-14/h1-6,11H,7-10H2,(H2,18,19,20)" ; chebi:inchikey "DECAUZVEBBDOOT-UHFFFAOYSA-N" ; chebi:mass "323.350" ; chebi:monoisotopicmass "323.13822" ; chebi:smiles "C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=CC=CO4" ; oboInOwl:hasDbXref "LINCS:LSM-15348" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103994" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "[4-(4-amino-2-quinazolinyl)-1-piperazinyl]-(2-furanyl)methanone" . obo:CHEBI_103995 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25996 ; chebi:charge "0" ; chebi:formula "C14H19N3O2" ; chebi:inchi "InChI=1S/C14H19N3O2/c1-11-5-3-4-6-13(11)15-16-14(12(2)18)17-7-9-19-10-8-17/h3-6,15H,7-10H2,1-2H3" ; chebi:inchikey "LYJVIKGETNIJGO-UHFFFAOYSA-N" ; chebi:mass "261.320" ; chebi:monoisotopicmass "261.14773" ; chebi:smiles "CC1=CC=CC=C1NN=C(C(=O)C)N2CCOCC2" ; oboInOwl:hasDbXref "LINCS:LSM-15349" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103995" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(2-methylphenyl)hydrazinylidene]-1-(4-morpholinyl)-2-propanone" . obo:CHEBI_103996 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35358 ; chebi:charge "0" ; chebi:formula "C28H30N4O5S2" ; chebi:inchi "InChI=1S/C28H30N4O5S2/c1-30(2)14-7-15-32(28-29-23-16-24-25(37-19-36-24)17-26(23)38-28)27(33)21-10-12-22(13-11-21)39(34,35)31(3)18-20-8-5-4-6-9-20/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3" ; chebi:inchikey "VKMRRUWBTJCRHK-UHFFFAOYSA-N" ; chebi:mass "566.695" ; chebi:monoisotopicmass "566.16576" ; chebi:smiles "CN(C)CCCN(C1=NC2=CC3=C(C=C2S1)OCO3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15350" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103996" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide" . obo:CHEBI_103997 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22702 ; chebi:charge "0" ; chebi:formula "C20H25N3O" ; chebi:inchi "InChI=1S/C20H25N3O/c1-15-4-5-17(14-16(15)2)20(24)21-18-6-8-19(9-7-18)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,21,24)" ; chebi:inchikey "IDYDMROROFLLRI-UHFFFAOYSA-N" ; chebi:mass "323.433" ; chebi:monoisotopicmass "323.19976" ; chebi:smiles "CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C)C" ; oboInOwl:hasDbXref "LINCS:LSM-15351" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103997" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "3,4-dimethyl-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide" . obo:CHEBI_103998 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H23NO2" ; chebi:inchi "InChI=1S/C18H23NO2/c1-2-16-18(14-8-4-5-9-17(14)21-16)15(20)10-13-19-11-6-3-7-12-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3" ; chebi:inchikey "RWTINHUYFIZICV-UHFFFAOYSA-N" ; chebi:mass "285.381" ; chebi:monoisotopicmass "285.17288" ; chebi:smiles "CCC1=C(C2=CC=CC=C2O1)C(=O)CCN3CCCCC3" ; oboInOwl:hasDbXref "LINCS:LSM-15352" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103998" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-(2-ethyl-3-benzofuranyl)-3-(1-piperidinyl)-1-propanone" . obo:CHEBI_103999 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35259 ; chebi:charge "0" ; chebi:formula "C18H21N3O" ; chebi:inchi "InChI=1S/C18H21N3O/c1-3-15-19-16-13-8-4-5-9-14(13)22-17(16)18(20-15)21-10-6-7-12(2)11-21/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3" ; chebi:inchikey "KKDYLHGEMMJKFV-UHFFFAOYSA-N" ; chebi:mass "295.380" ; chebi:monoisotopicmass "295.16846" ; chebi:smiles "CCC1=NC2=C(C(=N1)N3CCCC(C3)C)OC4=CC=CC=C42" ; oboInOwl:hasDbXref "LINCS:LSM-15353" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:103999" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine" . obo:CHEBI_104 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25186 ; chebi:charge "0" ; chebi:formula "C12H22O2" ; chebi:inchi "InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1" ; chebi:inchikey "XHXUANMFYXWVNG-ADEWGFFLSA-N" ; chebi:mass "198.302" ; chebi:monoisotopicmass "198.16198" ; chebi:smiles "CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O" ; oboInOwl:hasDbXref "CAS:2623-23-6" ; oboInOwl:hasDbXref "KEGG:C09870" ; oboInOwl:hasDbXref "KNApSAcK:C00000850" ; oboInOwl:hasExactSynonym "(-)-Menthyl acetate" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "Menthyl acetate" ; oboInOwl:hasRelatedSynonym "l-Menthyl acetate" ; oboInOwl:id "CHEBI:104" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(-)-Menthyl acetate" . _:b2182 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:2623-23-6" ; rdfs:label "KEGG COMPOUND" . _:b2183 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "(-)-Menthyl acetate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2184 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Menthyl acetate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . _:b2185 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "l-Menthyl acetate" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_1040 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38168 ; rdfs:subClassOf obo:CHEBI_38173 ; obo:IAO_0000115 "A dihydroxy-1,3,5-triazine that is 1,3,5-triazine-2,4-diol substituted by a chloro group at position 6." ; chebi:charge "0" ; chebi:formula "C3H2ClN3O2" ; chebi:inchi "InChI=1S/C3H2ClN3O2/c4-1-5-2(8)7-3(9)6-1/h(H2,5,6,7,8,9)" ; chebi:inchikey "YDHNHFNGJCKAIZ-UHFFFAOYSA-N" ; chebi:mass "147.51970" ; chebi:monoisotopicmass "146.98355" ; chebi:smiles "Oc1nc(O)nc(Cl)n1" ; oboInOwl:hasDbXref "Beilstein:742989" ; oboInOwl:hasDbXref "CAS:69125-10-6" ; oboInOwl:hasDbXref "KEGG:C08736" ; oboInOwl:hasDbXref "Reaxys:742989" ; oboInOwl:hasExactSynonym "6-chloro-1,3,5-triazine-2,4-diol" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "2,4-dihydroxy-6-chloro-1,3,5-triazine" ; oboInOwl:hasRelatedSynonym "2-Chloro-4,6-dihydroxy-1,3,5-triazine" ; oboInOwl:id "CHEBI:1040" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "6-chloro-1,3,5-triazine-2,4-diol" . _:b2186 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:742989" ; rdfs:label "Beilstein" . _:b2187 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:69125-10-6" ; rdfs:label "ChemIDplus" . _:b2188 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:69125-10-6" ; rdfs:label "KEGG COMPOUND" . _:b2189 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:742989" ; rdfs:label "Reaxys" . _:b2190 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "6-chloro-1,3,5-triazine-2,4-diol" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2191 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2,4-dihydroxy-6-chloro-1,3,5-triazine" ; oboInOwl:hasDbXref "ChEBI" . _:b2192 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_1040 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "2-Chloro-4,6-dihydroxy-1,3,5-triazine" ; oboInOwl:hasDbXref "KEGG_COMPOUND" . obo:CHEBI_10400 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_22798 ; owl:deprecated true . obo:CHEBI_104000 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C26H36N6O3" ; chebi:inchi "InChI=1S/C26H36N6O3/c1-7-26(2,3)32-25(27-28-29-32)24(19-8-13-22(34-5)23(18-19)35-6)31-16-14-30(15-17-31)20-9-11-21(33-4)12-10-20/h8-13,18,24H,7,14-17H2,1-6H3" ; chebi:inchikey "RXFIUWUHIJWINV-UHFFFAOYSA-N" ; chebi:mass "480.603" ; chebi:monoisotopicmass "480.28489" ; chebi:smiles "CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)C4=CC=C(C=C4)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15354" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104000" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-4-(4-methoxyphenyl)piperazine" . obo:CHEBI_104001 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_35683 ; chebi:charge "0" ; chebi:formula "C15H14Cl2FNS" ; chebi:inchi "InChI=1S/C15H14Cl2FNS/c1-19(2)9-10-3-5-12(18)8-14(10)20-15-7-11(16)4-6-13(15)17/h3-8H,9H2,1-2H3" ; chebi:inchikey "UNAWHUIPJQHFOG-UHFFFAOYSA-N" ; chebi:mass "330.249" ; chebi:monoisotopicmass "329.02080" ; chebi:smiles "CN(C)CC1=C(C=C(C=C1)F)SC2=C(C=CC(=C2)Cl)Cl" ; oboInOwl:hasDbXref "LINCS:LSM-15355" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104001" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[2-[(2,5-dichlorophenyl)thio]-4-fluorophenyl]-N,N-dimethylmethanamine" . obo:CHEBI_104002 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_18000 ; chebi:charge "0" ; chebi:formula "C20H36N6" ; chebi:inchi "InChI=1S/C20H36N6/c1-2-8-19(20-21-22-23-26(20)18-11-4-3-5-12-18)25-15-13-24(14-16-25)17-9-6-7-10-17/h17-19H,2-16H2,1H3" ; chebi:inchikey "NOMZDXQKBZKFOS-UHFFFAOYSA-N" ; chebi:mass "360.541" ; chebi:monoisotopicmass "360.30015" ; chebi:smiles "CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C4CCCC4" ; oboInOwl:hasDbXref "LINCS:LSM-15356" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104002" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[1-(1-cyclohexyl-5-tetrazolyl)butyl]-4-cyclopentylpiperazine" . obo:CHEBI_104003 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C29H32N4O3S2" ; chebi:inchi "InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3" ; chebi:inchikey "AVOROEGEYAGDGQ-UHFFFAOYSA-N" ; chebi:mass "548.723" ; chebi:monoisotopicmass "548.19158" ; chebi:smiles "CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4" ; oboInOwl:hasDbXref "LINCS:LSM-15357" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104003" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide" . obo:CHEBI_104004 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_38093 ; chebi:charge "+1" ; chebi:formula "C27H24N3OS" ; chebi:inchi "InChI=1S/C27H24N3OS/c1-19-12-14-20(15-13-19)23-17-28(26-11-6-16-29(23)26)18-27(31)30-21-7-2-4-9-24(21)32-25-10-5-3-8-22(25)30/h2-5,7-10,12-15,17H,6,11,16,18H2,1H3/q+1" ; chebi:inchikey "RPGOXHQIGQMAPM-UHFFFAOYSA-N" ; chebi:mass "438.566" ; chebi:monoisotopicmass "438.16346" ; chebi:smiles "CC1=CC=C(C=C1)C2=C[N+](=C3N2CCC3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64" ; oboInOwl:hasDbXref "LINCS:LSM-15358" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104004" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-1-(10-phenothiazinyl)ethanone" . obo:CHEBI_104005 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C24H23N3" ; chebi:inchi "InChI=1S/C24H23N3/c1-19-12-14-21(15-13-19)24-22(17-25-16-20-8-4-2-5-9-20)18-27(26-24)23-10-6-3-7-11-23/h2-15,18,25H,16-17H2,1H3" ; chebi:inchikey "YGWSMQFKFPYRRP-UHFFFAOYSA-N" ; chebi:mass "353.460" ; chebi:monoisotopicmass "353.18920" ; chebi:smiles "CC1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC=CC=C3)C4=CC=CC=C4" ; oboInOwl:hasDbXref "LINCS:LSM-15359" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104005" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine" . obo:CHEBI_104006 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_25529 . _:b2193 rdf:type owl:Restriction . obo:CHEBI_104006 rdfs:subClassOf _:b2193 . _:b2193 owl:onProperty chebi2:has_functional_parent ; owl:someValuesFrom obo:CHEBI_17154 . obo:CHEBI_104006 chebi:charge "0" ; chebi:formula "C15H16N4O4" ; chebi:inchi "InChI=1S/C15H16N4O4/c1-9(19-15(23)11-3-13(21)8-17-6-11)4-18-14(22)10-2-12(20)7-16-5-10/h2-3,5-9,20-21H,4H2,1H3,(H,18,22)(H,19,23)" ; chebi:inchikey "LMMZHPWDSHTAMF-UHFFFAOYSA-N" ; chebi:mass "316.313" ; chebi:monoisotopicmass "316.11716" ; chebi:smiles "CC(CNC(=O)C1=CC(=CN=C1)O)NC(=O)C2=CC(=CN=C2)O" ; oboInOwl:hasDbXref "LINCS:LSM-15360" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104006" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "5-hydroxy-N-[2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide" . obo:CHEBI_104007 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C20H23N3O2" ; chebi:inchi "InChI=1S/C20H23N3O2/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,24)" ; chebi:inchikey "RZITUCUOASIYJR-UHFFFAOYSA-N" ; chebi:mass "337.416" ; chebi:monoisotopicmass "337.17903" ; chebi:smiles "CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3" ; oboInOwl:hasDbXref "LINCS:LSM-15361" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104007" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N-[2-(diethylamino)ethyl]-2-(2-furanyl)-4-quinolinecarboxamide" . obo:CHEBI_104008 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51614 ; chebi:charge "0" ; chebi:formula "C29H27N3O2" ; chebi:inchi "InChI=1S/C29H27N3O2/c33-28-25-15-7-8-16-26(25)29(34)32(28)18-10-9-17-30-19-21-31(22-20-30)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,27H,17-22H2" ; chebi:inchikey "ZKPJKSHEVMZRLW-UHFFFAOYSA-N" ; chebi:mass "449.545" ; chebi:monoisotopicmass "449.21033" ; chebi:smiles "C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5" ; oboInOwl:hasDbXref "LINCS:LSM-15362" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104008" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-[4-[4-(diphenylmethyl)-1-piperazinyl]but-2-ynyl]isoindole-1,3-dione" . obo:CHEBI_104009 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26410 ; rdfs:subClassOf obo:CHEBI_36820 ; chebi:charge "0" ; chebi:formula "C17H15BrN4S" ; chebi:inchi "InChI=1S/C17H15BrN4S/c18-14-8-6-12(7-9-14)16-13(11-23-17(19)20)10-22(21-16)15-4-2-1-3-5-15/h1-10H,11H2,(H3,19,20)" ; chebi:inchikey "HWMASQCYVGFFIE-UHFFFAOYSA-N" ; chebi:mass "387.298" ; chebi:monoisotopicmass "386.02008" ; chebi:smiles "C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CSC(=N)N" ; oboInOwl:hasDbXref "LINCS:LSM-15363" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104009" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "carbamimidothioic acid [3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl ester" . obo:CHEBI_10401 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_15696 ; owl:deprecated true . obo:CHEBI_104010 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_22715 ; chebi:charge "0" ; chebi:formula "C23H32N4O2" ; chebi:inchi "InChI=1S/C23H32N4O2/c1-4-25(5-2)13-14-26-21-11-6-7-12-22(21)27(23(26)24)16-19(28)17-29-20-10-8-9-18(3)15-20/h6-12,15,19,24,28H,4-5,13-14,16-17H2,1-3H3" ; chebi:inchikey "IJGSXXQMYBXCHB-UHFFFAOYSA-N" ; chebi:mass "396.527" ; chebi:monoisotopicmass "396.25253" ; chebi:smiles "CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O" ; oboInOwl:hasDbXref "LINCS:LSM-15364" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104010" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "1-[3-[2-(diethylamino)ethyl]-2-imino-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol" . obo:CHEBI_104011 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_16180 . _:b2194 rdf:type owl:Restriction . obo:CHEBI_104011 rdfs:subClassOf _:b2194 . _:b2194 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_83056 . _:b2195 rdf:type owl:Restriction . obo:CHEBI_104011 rdfs:subClassOf _:b2195 . _:b2195 owl:onProperty chebi2:is_conjugate_acid_of ; owl:someValuesFrom obo:CHEBI_64703 . obo:CHEBI_104011 obo:IAO_0000115 "An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow." ; chebi:charge "0" ; chebi:formula "C9H10N2O3" ; chebi:inchi "InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)" ; chebi:inchikey "HSMNQINEKMPTIC-UHFFFAOYSA-N" ; chebi:mass "194.18730" ; chebi:monoisotopicmass "194.06914" ; chebi:smiles "Nc1ccc(cc1)C(=O)NCC(O)=O" ; oboInOwl:hasAlternativeId "CHEBI:59134" ; oboInOwl:hasDbXref "Beilstein:1216376" ; oboInOwl:hasDbXref "CAS:61-78-9" ; oboInOwl:hasDbXref "DrugBank:DB00345" ; oboInOwl:hasDbXref "Drug_Central:165" ; oboInOwl:hasDbXref "Gmelin:848144" ; oboInOwl:hasDbXref "HMDB:HMDB0001867" ; oboInOwl:hasDbXref "KEGG:D06890" ; oboInOwl:hasDbXref "LINCS:LSM-5739" ; oboInOwl:hasDbXref "PMID:11060218" ; oboInOwl:hasDbXref "PMID:11078692" ; oboInOwl:hasDbXref "PMID:11443229" ; oboInOwl:hasDbXref "PMID:12523660" ; oboInOwl:hasDbXref "PMID:12552490" ; oboInOwl:hasDbXref "PMID:17190852" ; oboInOwl:hasDbXref "PMID:20439170" ; oboInOwl:hasDbXref "PMID:22036005" ; oboInOwl:hasDbXref "PMID:22273603" ; oboInOwl:hasDbXref "PMID:22406909" ; oboInOwl:hasDbXref "PMID:22460716" ; oboInOwl:hasDbXref "PMID:2496229" ; oboInOwl:hasDbXref "Reaxys:1213676" ; oboInOwl:hasDbXref "Wikipedia:Aminohippuric_Acid" ; oboInOwl:hasExactSynonym "N-(4-aminobenzoyl)glycine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "4-aminohippuric acid" ; oboInOwl:hasRelatedSynonym "Aminohippuric acid" ; oboInOwl:hasRelatedSynonym "N-(p-Aminobenzoyl)aminoacetic acid" ; oboInOwl:hasRelatedSynonym "N-(p-Aminobenzoyl)glycine" ; oboInOwl:hasRelatedSynonym "N-(para-aminobenzoyl)glycine" ; oboInOwl:hasRelatedSynonym "PAH" ; oboInOwl:hasRelatedSynonym "Paha" ; oboInOwl:hasRelatedSynonym "p-aminohippurate" ; oboInOwl:hasRelatedSynonym "para-Aminohippuric acid" ; oboInOwl:hasRelatedSynonym "paraaminohippuric acid" ; oboInOwl:id "CHEBI:104011" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "p-aminohippuric acid" . _:b2196 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Beilstein:1216376" ; rdfs:label "Beilstein" . _:b2197 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:61-78-9" ; rdfs:label "ChemIDplus" . _:b2198 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:61-78-9" ; rdfs:label "KEGG DRUG" . _:b2199 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:165" ; rdfs:label "DrugCentral" . _:b2200 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Gmelin:848144" ; rdfs:label "Gmelin" . _:b2201 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11060218" ; rdfs:label "Europe PMC" . _:b2202 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11078692" ; rdfs:label "Europe PMC" . _:b2203 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:11443229" ; rdfs:label "Europe PMC" . _:b2204 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12523660" ; rdfs:label "Europe PMC" . _:b2205 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:12552490" ; rdfs:label "Europe PMC" . _:b2206 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:17190852" ; rdfs:label "Europe PMC" . _:b2207 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:20439170" ; rdfs:label "Europe PMC" . _:b2208 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22036005" ; rdfs:label "Europe PMC" . _:b2209 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22273603" ; rdfs:label "Europe PMC" . _:b2210 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22406909" ; rdfs:label "Europe PMC" . _:b2211 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22460716" ; rdfs:label "Europe PMC" . _:b2212 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:2496229" ; rdfs:label "ChEMBL" . _:b2213 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Reaxys:1213676" ; rdfs:label "Reaxys" . _:b2214 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "N-(4-aminobenzoyl)glycine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2215 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "4-aminohippuric acid" ; oboInOwl:hasDbXref "SUBMITTER" . _:b2216 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Aminohippuric acid" ; oboInOwl:hasDbXref "KEGG_DRUG" . _:b2217 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(p-Aminobenzoyl)aminoacetic acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2218 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(p-Aminobenzoyl)glycine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2219 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "N-(para-aminobenzoyl)glycine" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2220 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "PAH" ; oboInOwl:hasDbXref "SUBMITTER" . _:b2221 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "Paha" ; oboInOwl:hasDbXref "HMDB" . _:b2222 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "p-aminohippurate" ; oboInOwl:hasDbXref "SUBMITTER" . _:b2223 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "para-Aminohippuric acid" ; oboInOwl:hasDbXref "ChemIDplus" . _:b2224 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104011 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "paraaminohippuric acid" ; oboInOwl:hasDbXref "HMDB" . obo:CHEBI_104012 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_17962 . _:b2225 rdf:type owl:Restriction . obo:CHEBI_104012 rdfs:subClassOf _:b2225 . _:b2225 owl:onProperty obo:RO_0000087 ; owl:someValuesFrom obo:CHEBI_131604 . obo:CHEBI_104012 obo:IAO_0000115 "A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as hexadec-9-enoyl." ; chebi:charge "0" ; chebi:formula "C44H77N3O15P2" ; chebi:inchi "InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1" ; chebi:inchikey "LBKBJHVQQNUXGQ-BQUKFSKHSA-N" ; chebi:mass "950.043" ; chebi:monoisotopicmass "949.48299" ; chebi:smiles "O(C[C@@H](COC(CCCCCCCC=CCCCCCC)=O)OC(CCCCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O" ; oboInOwl:hasDbXref "PMID:22817898" ; oboInOwl:hasExactSynonym "5'-O-[{[{(2R)-2,3-bis[(hexadec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "CDP-1,2-dihexadec-9-enoyl-sn-glycerol" ; oboInOwl:hasRelatedSynonym "CDP-1,2-dihexadec-9-enoylglycerol" ; oboInOwl:hasRelatedSynonym "CDP-DG(16:1/16:1)" ; oboInOwl:id "CHEBI:104012" ; oboInOwl:inSubset chebi2:3_STAR ; rdfs:label "1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate" . _:b2226 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104012 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "PMID:22817898" ; rdfs:label "Europe PMC" . _:b2227 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104012 ; owl:annotatedProperty oboInOwl:hasExactSynonym ; owl:annotatedTarget "5'-O-[{[{(2R)-2,3-bis[(hexadec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine" ; oboInOwl:hasDbXref "IUPAC" ; oboInOwl:hasSynonymType chebi2:IUPAC_NAME . _:b2228 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104012 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-dihexadec-9-enoyl-sn-glycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b2229 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104012 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-1,2-dihexadec-9-enoylglycerol" ; oboInOwl:hasDbXref "ChEBI" . _:b2230 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104012 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "CDP-DG(16:1/16:1)" ; oboInOwl:hasDbXref "ChEBI" . obo:CHEBI_104013 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_24922 ; chebi:charge "0" ; chebi:formula "C21H25N5O3" ; chebi:inchi "InChI=1S/C21H25N5O3/c1-28-12-11-26-21(22-23-24-26)20(16-7-8-18(27)19(13-16)29-2)25-10-9-15-5-3-4-6-17(15)14-25/h3-8,13,20,27H,9-12,14H2,1-2H3" ; chebi:inchikey "WZLUAEIXQLABNE-UHFFFAOYSA-N" ; chebi:mass "395.456" ; chebi:monoisotopicmass "395.19574" ; chebi:smiles "COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)O)OC)N3CCC4=CC=CC=C4C3" ; oboInOwl:hasDbXref "LINCS:LSM-15366" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104013" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-2-methoxyphenol" . obo:CHEBI_104014 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_36709 ; chebi:charge "0" ; chebi:formula "C18H15ClN2O2" ; chebi:inchi "InChI=1S/C18H15ClN2O2/c1-11-8-16(14-9-12(19)2-4-15(14)20-11)21-13-3-5-17-18(10-13)23-7-6-22-17/h2-5,8-10H,6-7H2,1H3,(H,20,21)" ; chebi:inchikey "GMBAOUBLIFVPAH-UHFFFAOYSA-N" ; chebi:mass "326.778" ; chebi:monoisotopicmass "326.08221" ; chebi:smiles "CC1=NC2=C(C=C(C=C2)Cl)C(=C1)NC3=CC4=C(C=C3)OCCO4" ; oboInOwl:hasDbXref "LINCS:LSM-15367" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104014" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine" . obo:CHEBI_104015 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; rdfs:subClassOf obo:CHEBI_62733 ; chebi:charge "0" ; chebi:formula "C20H27N3O5" ; chebi:inchi "InChI=1S/C20H27N3O5/c1-27-15-11-13-14(12-16(15)28-2)22-20(26)17(18(13)24)19(25)21-7-6-10-23-8-4-3-5-9-23/h11-12H,3-10H2,1-2H3,(H,21,25)(H2,22,24,26)" ; chebi:inchikey "JDPVYDLXGCBZID-UHFFFAOYSA-N" ; chebi:mass "389.446" ; chebi:monoisotopicmass "389.19507" ; chebi:smiles "COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCN3CCCCC3)O)OC" ; oboInOwl:hasDbXref "LINCS:LSM-15368" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104015" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(1-piperidinyl)propyl]-1H-quinoline-3-carboxamide" . obo:CHEBI_104016 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26513 ; chebi:charge "0" ; chebi:formula "C19H17NO2" ; chebi:inchi "InChI=1S/C19H17NO2/c1-3-22-19(21)17-13(2)20-16-12-8-7-11-15(16)18(17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3" ; chebi:inchikey "NKTJXKSVVDCPJP-UHFFFAOYSA-N" ; chebi:mass "291.344" ; chebi:monoisotopicmass "291.12593" ; chebi:smiles "CCOC(=O)C1=C(C2=CC=CC=C2N=C1C)C3=CC=CC=C3" ; oboInOwl:hasDbXref "LINCS:LSM-15369" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104016" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-methyl-4-phenyl-3-quinolinecarboxylic acid ethyl ester" . obo:CHEBI_104017 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_51683 ; chebi:charge "0" ; chebi:formula "C16H22N4O" ; chebi:inchi "InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3" ; chebi:inchikey "GULNIHOSWFYMRN-UHFFFAOYSA-N" ; chebi:mass "286.373" ; chebi:monoisotopicmass "286.17936" ; chebi:smiles "CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2" ; oboInOwl:hasDbXref "CAS:91-85-0" ; oboInOwl:hasDbXref "Drug_Central:2642" ; oboInOwl:hasDbXref "LINCS:LSM-15371" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:hasRelatedSynonym "neohetramine" ; oboInOwl:id "CHEBI:104017" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyrimidinyl)ethane-1,2-diamine" . _:b2231 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104017 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "CAS:91-85-0" ; rdfs:label "DrugCentral" . _:b2232 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104017 ; owl:annotatedProperty oboInOwl:hasDbXref ; owl:annotatedTarget "Drug_Central:2642" ; rdfs:label "DrugCentral" . _:b2233 rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_104017 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; owl:annotatedTarget "neohetramine" ; oboInOwl:hasDbXref "DrugCentral" . obo:CHEBI_104018 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26273 ; chebi:charge "0" ; chebi:formula "C18H34N2O6S" ; chebi:inchi "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14+,15-,16-,18-/m1/s1" ; chebi:inchikey "OJMMVQQUTAEWLP-HZUSHKNOSA-N" ; chebi:mass "406.539" ; chebi:monoisotopicmass "406.21376" ; chebi:smiles "CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O" ; oboInOwl:hasDbXref "LINCS:LSM-15374" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104018" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide" . obo:CHEBI_104019 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_32877 ; chebi:charge "0" ; chebi:formula "C8H10FNO2S" ; chebi:inchi "InChI=1S/C8H10FNO2S/c9-13(11,12)8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2" ; chebi:inchikey "TZJAEGCLMLTGRJ-UHFFFAOYSA-N" ; chebi:mass "203.235" ; chebi:monoisotopicmass "203.04163" ; chebi:smiles "C1=CC=C(C(=C1)CCN)S(=O)(=O)F" ; oboInOwl:hasDbXref "LINCS:LSM-15375" ; oboInOwl:hasOBONamespace "chebi_ontology" ; oboInOwl:id "CHEBI:104019" ; oboInOwl:inSubset chebi2:2_STAR ; rdfs:label "2-(2-aminoethyl)benzenesulfonyl fluoride" . obo:CHEBI_10402 rdf:type owl:Class ; obo:IAO_0000231 obo:IAO_0000227 ; obo:IAO_0100001 obo:CHEBI_28690 ; owl:deprecated true . obo:CHEBI_104020 rdf:type owl:Class ; rdfs:subClassOf obo:CHEBI_26144 ; chebi:charge "0" ; chebi:formula "C11H16N2O" ; chebi:inchi "InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3" ; chebi:inchikey "VNZLQLYBRIOLFZ-UHFFFAOYSA-N" ; chebi:mass "192.258" ; chebi:monoisotopicmass "192.12626" ; chebi:smiles "C