FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK660917
Synonyms: 3-{1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl}propanoicacid
Smiles: OC(=O)CCC1N=C(N(C1=O)CCc1c[nH]c2c1cc(F)cc2)O

STK660918
Synonyms: 4-fluoro-N-(1H-indol-6-yl)-2-(1H-tetrazol-1-yl)benzamide
Smiles: Fc1ccc(c(c1)n1cnnn1)C(=O)Nc1ccc2c(c1)[nH]cc2

STK660919
Synonyms: 3-(2-oxopropyl)-6-phenyl-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
Smiles: CC(=O)Cn1c(=O)nc2n1C(=O)N(C2)c1ccccc1

STK660920
Synonyms: N~6~-cyclohexyl-7H-purine-2,6-diamine
Smiles: Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2

STK660924
Synonyms: N-(tetrahydrofuran-2-ylmethyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Smiles: FC(c1nnc2n1nc(NCC1CCCO1)cc2)(F)F

STK660927
Synonyms: 3-ethyl-N-(2-methoxybenzyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Smiles: CCc1nnc2n1nc(NCc1ccccc1OC)cc2

STK660929
Synonyms: 3-[(9-ethyl-8-methyl-2-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]propan-1-ol
Smiles: OCCCNc1nc2sc(c(c2c2n1nc(n2)c1ccccc1)CC)C

STK660930
Synonyms: 1-[(1-benzyl-1H-indol-6-yl)carbonyl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)n(cc2)Cc1ccccc1

STK660935
Synonyms: [6-(benzyloxy)-1H-indol-3-yl][4-(thiophen-2-ylmethyl)piperazin-1-yl]aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1ccc(c2)OCc1ccccc1)N1CCN(CC1)Cc1cccs1

STK660936
Synonyms: 5-(4-bromophenyl)-7-hydroxy-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: OC1=Nc2c(C(C1)c1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

STK660938
Synonyms: 1-{[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-D-prolinamide
Smiles: NC(=O)[C@H]1CCCN1C(=O)c1sc(nc1C)c1ccc(cc1)F

STK660939
Synonyms: 6-cyclobutyl-3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: C1CC(C1)c1nn2c(s1)nnc2c1ccco1

STK660943
Synonyms: 2-hydroxy-5-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-(1-phenylethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: CC(N1C(=O)C(N=C1O)CCC(=O)N1CCCC1)c1ccccc1

STK660946
Synonyms: 3-methyl-1-(9H-purin-6-yl)-4-(pyridin-3-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1cccnc1)c(nn2c1ncnc2c1nc[nH]2)C

STK660947
Synonyms: 5-(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine
Smiles: Clc1ccc(cc1)c1ccnc2n1cnn2

STK660950
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)/N=c/1\[nH]nc(s1)CC(C)C

STK660951
Synonyms: 5-oxo-N-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-1-phenylpyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccccc1)NCCC(=O)N1CCN(CC1)c1ccccn1

STK660952
Synonyms: 1-(6-hydroxypyridazin-3-yl)-3-methyl-4-[3-(pyridin-2-ylmethoxy)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1cccc(c1)OCc1ccccn1)c(nn2c1ccc(nn1)O)C

STK660958
Synonyms: N-(2,4-dimethoxyphenyl)-4-(pyrrolidin-1-yl)pteridin-2-amine
Smiles: COc1cc(OC)ccc1Nc1nc(N2CCCC2)c2c(n1)nccn2

STK660959
Synonyms: [6-(hydroxymethyl)-1H-indol-3-yl]{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}aceticacid
Smiles: OCc1ccc2c(c1)[nH]cc2C(N1CCCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)O

STK660962
Synonyms: N-(1H-indol-6-yl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]ethanediamide
Smiles: CC(NC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)[nH]cc2)C

STK660963
Synonyms: 6-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(ccc1OC)c1nnc2n1nc(s2)c1cc(nn1C)C(C)(C)C

STK660964
Synonyms: {4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]piperazin-1-yl}(5-methyl-1H-indol-3-yl)aceticacid
Smiles: COc1c(C)cnc(c1C)CN1CCN(CC1)C(c1c[nH]c2c1cc(C)cc2)C(=O)O

STK660965
Synonyms: 5-(4-ethylpiperazin-1-yl)-2-(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)-1,3-oxazole-4-carbonitrile
Smiles: CCN1CCN(CC1)c1oc(nc1C#N)c1cccc2c1oc(c1ccccc1)c(c2=O)C

STK858586
Synonyms: 1-(1H-benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
Smiles: COc1ccccc1OCC(Cn1cnc2c1cccc2)O

STK660972
Synonyms: N-[2-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)ethyl]-2,3,4-trifluorobenzamide
Smiles: O=C(c1ccc(c(c1F)F)F)NCC(c1ccc2c(c1)OCO2)N1CCCC1

STK660974
Synonyms: 3-{[2-(2-hydroxyethoxy)phenyl]amino}-1-(2-hydroxyethyl)-1H-pyrrole-2,5-dione
Smiles: OCCOc1ccccc1NC1=CC(=O)N(C1=O)CCO

STK660978
Synonyms: methylN-{[4-(2,3-dichlorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}valinate
Smiles: COC(=O)C(C(C)C)NC(=O)N1CCc2c(C1c1cccc(c1Cl)Cl)nc[nH]2

STK660979
Synonyms: 2-amino-7-[2-(2-methylpropoxy)phenyl]-6,7-dihydro[1,3]thiazolo[4,5-b]pyridin-5-ol
Smiles: CC(COc1ccccc1C1CC(=Nc2c1sc(n2)N)O)C

STK660986
Synonyms: methyl4-{[(5-bromopyridin-3-yl)carbonyl]amino}-2-methylquinoline-6-carboxylate
Smiles: COC(=O)c1ccc2c(c1)c(cc(n2)C)NC(=O)c1cncc(c1)Br

STK660987
Synonyms: 2-(5-chloro-1H-indol-1-yl)-1-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
Smiles: Clc1ccc2c(c1)ccn2CC(=O)N1CCN(CC1)c1ccccn1

STK858588
Synonyms: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl4-bromobenzenesulfonate
Smiles: Brc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O

STK660988
Synonyms: 3-[(3-methylpyridin-2-yl)carbamoyl]pyrazine-2-carboxylicacid
Smiles: OC(=O)c1nccnc1C(=O)Nc1ncccc1C

STK660992
Synonyms: (6-chloro-1H-indol-3-yl)[4-(4-methylquinolin-2-yl)piperazin-1-yl]aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1ccc(c2)Cl)N1CCN(CC1)c1cc(C)c2c(n1)cccc2

STK660993
Synonyms: 3-{[2-(acetylamino)phenoxy]methyl}-N-(diphenylmethyl)-1,2,4-oxadiazole-5-carboxamide
Smiles: CC(=O)Nc1ccccc1OCc1noc(n1)C(=O)NC(c1ccccc1)c1ccccc1

STK660994
Synonyms: N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N-1,3-thiazol-2-ylglycinamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)NCC(=O)Nc1nccs1

STK660996
Synonyms: N-[4-(acetylamino)phenyl]-3-(2-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1ccc2c(c1)ncn(c2=O)c1ccccc1F

STK661001
Synonyms: 3-chloro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1ccc(c(c1)O)c1nc2c(o1)ccnc2

STK661002
Synonyms: 2-[(2-amino-7H-purin-6-yl)amino]phenol
Smiles: Nc1nc(Nc2ccccc2O)c2c(n1)nc[nH]2

STK661003
Synonyms: methyl4-(7-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl)-5-(2-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Smiles: COC(=O)c1c(C)[nH]c(c1C1C(=O)Nc2c1cccc2Cl)c1ccc(cc1F)OC

STK661005
Synonyms: 7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccccc1C(=O)CC1(O)C(=O)Nc2c1cccc2Cl

STK661006
Synonyms: 7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
Smiles: COc1cc(ccc1OC)c1ccnc2n1ncc2

STK661012
Synonyms: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Smiles: O=C1Nc2ccccc2CCC1SC1=NCCS1

STK661016
Synonyms: 3-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-N-methyl-1,2,4-oxadiazole-5-carboxamide
Smiles: CNC(=O)c1onc(n1)CC(=O)Nc1ccc(cc1F)F

STK661022
Synonyms: N-[2-(4-fluorophenyl)ethyl]-1-[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1ccc2n(n1)c(nn2)C(C)C)NCCc1ccc(cc1)F

STK661023
Synonyms: [1-(2,5-dichlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-yl](pyrrolidin-1-yl)methanone
Smiles: COc1cc2c(cc1OC)Cc1c2n(nc1C(=O)N1CCCC1)c1cc(Cl)ccc1Cl

STK661024
Synonyms: N-[2-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)ethyl]-2-phenylethanesulfonamide
Smiles: O=S(=O)(CCc1ccccc1)NCC(c1ccc2c(c1)OCO2)N1CCCC1

STK661026
Synonyms: 2-hydroxy-N-phenylquinoline-4-carboxamide
Smiles: Oc1nc2ccccc2c(c1)C(=O)Nc1ccccc1

STK661027
Synonyms: 4-[(4-methylphenyl)sulfonyl]-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}piperazin-2-one
Smiles: O=C1NCCN(C1CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(cc1)C

STK661028
Synonyms: 2-(6-chloro-1H-indol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)Cn1ccc2c1cc(Cl)cc2

STK661031
Synonyms: methyl4-{[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy}benzoate
Smiles: COC(=O)c1ccc(cc1)OCc1noc(n1)C(=O)NC1CC1

STK661032
Synonyms: 2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)Nc1nnc[nH]1

STK661034
Synonyms: 1-hydroxy-4-[2-(morpholin-4-yl)ethyl]-9,10-dihydropyrimido[4,5-c]isoquinoline-3,7(4H,8H)-dione
Smiles: O=C1CCCc2c1cnc1c2c(O)nc(=O)n1CCN1CCOCC1

STK661037
Synonyms: ethyl4-[(4-chloro-1H-indol-1-yl)acetyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)Cn1ccc2c1cccc2Cl

STK661038
Synonyms: 3-{[5-methyl-1-(propan-2-yl)-1H-pyrazol-3-yl]carbamoyl}pyrazine-2-carboxylicacid
Smiles: O=C(c1nccnc1C(=O)O)Nc1nn(c(c1)C)C(C)C

STK661039
Synonyms: [1-(carboxymethyl)-6-chloro-1H-indol-3-yl][4-(pyridin-4-ylmethyl)piperazin-1-yl]aceticacid
Smiles: OC(=O)Cn1cc(c2c1cc(Cl)cc2)C(N1CCN(CC1)Cc1ccncc1)C(=O)O

STK661043
Synonyms: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl](2-methyl-1H-indol-3-yl)aceticacid
Smiles: OC(=O)C(c1c(C)[nH]c2c1cccc2)N1CCCC(C1)c1nc2c(s1)cccc2

STK661048
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-oxo-2-(phenylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
Smiles: O=C(Cc1noc(n1)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1

STK661050
Synonyms: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide4,4-dioxide
Smiles: O=C(C1=C(c2ccccc2)S(=O)(=O)CCO1)Nc1cc(ccc1Cl)C(F)(F)F

STK661055
Synonyms: 3-(4-methoxyphenyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nnc2n1nc(s2)Cc1csc(n1)C

STK661056
Synonyms: N-cyclopropyl-2-fluoro-N-(1H-indol-4-ylmethyl)benzamide
Smiles: Fc1ccccc1C(=O)N(C1CC1)Cc1cccc2c1cc[nH]2

STK661059
Synonyms: N-[3-(5-bromo-1H-indol-1-yl)propanoyl]-beta-alanine
Smiles: O=C(CCn1ccc2c1ccc(c2)Br)NCCC(=O)O

STK661060
Synonyms: N-(3-chlorophenyl)-5-hydroxy[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1nnn2c1nc(O)c1c2cccc1

STK661066
Synonyms: trans-4-[({[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: COc1ccccc1c1scc(n1)CC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK661075
Synonyms: N-(4-hydroxyphenyl)-N'-[2-(piperazin-1-yl)ethyl]ethanediamide
Smiles: O=C(C(=O)Nc1ccc(cc1)O)NCCN1CCNCC1

STK661076
Synonyms: N-(4-fluorobenzyl)-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ccc2n(n1)c(C)nn2

STK661079
Synonyms: [4-(3-chlorobenzyl)piperazin-1-yl]{5-[(2-methylpropanoyl)amino]-1H-indol-3-yl}aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)C(C)C)N1CCN(CC1)Cc1cccc(c1)Cl

STK661080
Synonyms: 2-(5-chloro-1H-indol-1-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1ccc2c1ccc(c2)Cl)C

STK661081
Synonyms: tert-butyl6-(4-chlorophenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
Smiles: Clc1ccc(cc1)C1NC(=NC(=C1C(=O)OC(C)(C)C)C)O

STK661086
Synonyms: 5-bromo-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-1-yl)benzamide
Smiles: Brc1ccc(c(c1)C(=O)NCc1ccncc1)n1cccc1

STK661091
Synonyms: N-benzyl-3-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]-N-methylbenzenesulfonamide
Smiles: CN(S(=O)(=O)c1cccc(c1)S(=O)(=O)C1CCS(=O)(=O)C1)Cc1ccccc1

STK661092
Synonyms: 7-hydroxy-5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)C1NC(=Nc2c1c(=O)n(C)c(=O)n2C)O

STK661095
Synonyms: 5-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-4-ol
Smiles: COc1cc(ccc1OC)c1ccnc2c1c(O)nc(n2)N1CCCC1

STK661097
Synonyms: methylN-{[2-(2-methylpropyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)CC(C)C

STK661101
Synonyms: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)NCCC(=O)Nc1ccc2c(c1)OCCO2

STK661104
Synonyms: 3-{[4-(methoxycarbonyl)-1H-pyrazol-3-yl]carbamoyl}pyrazine-2-carboxylicacid
Smiles: COC(=O)c1c[nH]nc1NC(=O)c1nccnc1C(=O)O

STK661105
Synonyms: 1-methyl-4-(4-phenylpiperazin-1-yl)-6-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
Smiles: Cn1ncc2c1nc(nc2N1CCN(CC1)c1ccccc1)N1CCCCC1

STK661106
Synonyms: 3-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl}pyrazine-2-carboxylicacid
Smiles: O=C(c1nccnc1C(=O)O)Nc1ccc(cc1)Cn1cncn1

STK661109
Synonyms: N-{(2S)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-oxopropan-2-yl}pyridine-3-carboxamide
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)[C@@H](NC(=O)c1cccnc1)C

STK661112
Synonyms: N-(3,3-diphenylpropyl)-2-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)acetamide
Smiles: O=C(CC1NC(=O)c2c(N=C1O)cccc2)NCCC(c1ccccc1)c1ccccc1

STK661119
Synonyms: 3-({[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)quinoxalin-2-ol
Smiles: Oc1nc2ccccc2nc1CSc1nnc(o1)c1ccccc1Br

STK661121
Synonyms: 1-[2-(4-bromophenyl)-2-oxoethyl]-3,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Brc1ccc(cc1)C(=O)Cn1c(=O)n(C)c(=O)c2c1sc(c2)C

STK661125
Synonyms: N-(2-chlorophenyl)-3-[(1,1-dioxidotetrahydrothiophen-3-yl)sulfonyl]benzenesulfonamide
Smiles: Clc1ccccc1NS(=O)(=O)c1cccc(c1)S(=O)(=O)C1CCS(=O)(=O)C1

STK661131
Synonyms: 6-[4-(2-chlorobenzyl)piperazin-1-yl]-7H-purine
Smiles: Clc1ccccc1CN1CCN(CC1)c1ncnc2c1[nH]cn2

STK661133
Synonyms: 2-chloro-4-(1,1-dioxido-1,2-thiazinan-2-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Smiles: O=C(c1ccc(cc1Cl)N1CCCCS1(=O)=O)NCCN1CCOCC1

STK661134
Synonyms: 6-(1,3-dimethyl-1H-pyrazol-4-yl)-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cn1nc(c(c1)c1nn2c(s1)nnc2c1cccs1)C

STK661143
Synonyms: [1-(carboxymethyl)-1H-indol-3-yl]{4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl}aceticacid
Smiles: CCNC(=O)CN1CCN(CC1)C(c1cn(c2c1cccc2)CC(=O)O)C(=O)O

STK661148
Synonyms: 6-(3-methylphenyl)-3-(2-oxopropyl)-6,7-dihydro-3H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
Smiles: CC(=O)Cn1c(=O)nc2n1C(=O)N(C2)c1cccc(c1)C

STK661149
Synonyms: (2Z)-2-(2-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl2,2-dimethylpropanoate
Smiles: O=C(C(C)(C)C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)/C2=O

STK661151
Synonyms: (6-chloro-1H-indol-3-yl){4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}aceticacid
Smiles: Clc1ccc2c(c1)[nH]cc2C(N1CCN(CC1)C/C=C/c1ccccc1)C(=O)O

STK661159
Synonyms: [2-chloro-5-(1H-tetrazol-1-yl)phenyl](thiomorpholin-4-yl)methanone
Smiles: Clc1ccc(cc1C(=O)N1CCSCC1)n1cnnn1

STK661160
Synonyms: [1-(2-chlorobenzyl)-5,6-dimethyl-1H-benzimidazol-2-yl]methanol
Smiles: OCc1nc2c(n1Cc1ccccc1Cl)cc(c(c2)C)C

STK661162
Synonyms: 6-hydroxy-2,2'-bipyridine-5-carbonitrile
Smiles: N#Cc1ccc(nc1O)c1ccccn1

STK661164
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
Smiles: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NCCCn1cncc1

STK661168
Synonyms: N-(4-chlorophenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]amino}benzamide
Smiles: O=C(NC1CCS(=O)(=O)C1)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Cl

STK661170
Synonyms: N-{2-[(4-acetylphenyl)amino]-2-oxoethyl}-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CNC(=O)C1CC(=O)N(C1)c1ccc(cc1)F

STK661171
Synonyms: 3'-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-4'-hydroxy-1-methyl-3'H-spiro[indole-3,2'-quinazolin]-2(1H)-one
Smiles: CN1c2ccccc2C2(C1=O)N=c1ccccc1=C(N2CC(c1cccs1)N(C)C)O

STK661172
Synonyms: N-cyclopropyl-4-{[5-(dimethylsulfamoyl)furan-2-yl]methoxy}benzamide
Smiles: CN(S(=O)(=O)c1ccc(o1)COc1ccc(cc1)C(=O)NC1CC1)C

STK661178
Synonyms: N-(2,6-difluorophenyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
Smiles: Fc1cccc(c1NC(=O)c1cc(nc2c1cccc2)c1ccccn1)F

STK661179
Synonyms: [1-(carboxymethyl)-1H-indol-3-yl][4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]aceticacid
Smiles: Fc1ccc2c(c1)onc2C1CCN(CC1)C(c1cn(c2c1cccc2)CC(=O)O)C(=O)O

STK661181
Synonyms: 4-(3-chloro-4-hydroxyphenyl)-3-methyl-4,9-dihydro-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7-diol
Smiles: Oc1nc(O)c2c(n1)Nc1c(C2c2ccc(c(c2)Cl)O)c(n[nH]1)C

STK661183
Synonyms: N-(2-methoxybenzyl)-3,6-dimethyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
Smiles: COc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)no2

STK661184
Synonyms: 3-(1-benzyl-2-hydroxy-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-N-(3-chlorobenzyl)propanamide
Smiles: O=C(CCC1N=C(N(C1=O)Cc1ccccc1)O)NCc1cccc(c1)Cl

STK661192
Synonyms: 2-(6-fluoro-1H-indol-1-yl)-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: Fc1ccc2c(c1)n(cc2)CC(=O)/N=c/1\scc([nH]1)C

STK661195
Synonyms: 1-{[4-(4-oxoquinazolin-3(4H)-yl)phenyl]carbonyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)n1cnc2c(c1=O)cccc2

STK661196
Synonyms: 1-{[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl}piperidine-4-carboxylicacid
Smiles: COc1cc(ccc1OC)c1scc(n1)CC(=O)N1CCC(CC1)C(=O)O

STK661197
Synonyms: 3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-(pyrimidin-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: CC(COc1ccc(cc1)C1CC(=Nc2c1c(C)nn2c1ncccn1)O)C

STK661200
Synonyms: 1-({1-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl}carbonyl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)C1CC(=O)N(C1)c1ccc(c(c1)C(F)(F)F)Cl

STK661201
Synonyms: 2-({2-[(3-chloro-4-methoxyphenyl)amino]-7H-purin-6-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(c(c2)Cl)OC)nc2c1[nH]cn2

STK661202
Synonyms: 2-amino-1-(5-chloropyridin-2-yl)-4-(1H-indol-5-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(cn2)Cl)C2=C(C1c1ccc3c(c1)cc[nH]3)C(=O)CC(C2)(C)C

STK661211
Synonyms: 4-[1-(6-chloropyridazin-3-yl)-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoicacid
Smiles: OC1=Nc2c(C(C1)c1ccc(cc1)C(=O)O)c(nn2c1ccc(nn1)Cl)C

STK661212
Synonyms: 1-(1-hydroxy-7-oxo-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-3-yl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1nc(O)c2c(n1)ncc1c2CCCC1=O

STK661214
Synonyms: (4-benzylpiperidin-1-yl)[4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1)N1CCCCS1(=O)=O)Cl)N1CCC(CC1)Cc1ccccc1

STK661216
Synonyms: N-[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)/N=c/1\sc2c([nH]1)ccc(c2)S(=O)(=O)C

STK661218
Synonyms: 5-[4-(3-methylbutoxy)phenyl]-2-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-4-ol
Smiles: CC(CCOc1ccc(cc1)c1ccnc2c1c(O)nc(n2)N1CCOCC1)C

STK661219
Synonyms: ethylN-{[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl}glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2c([nH]1)cc(c(n2)C)Br

STK661223
Synonyms: 4-{[7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoicacid
Smiles: COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)CCC(=O)O)c1ccccc1

STK661224
Synonyms: 2-(3-acetyl-1H-indol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)Cn2cc(c3c2cccc3)C(=O)C)cc(c1)OC

STK661227
Synonyms: 2-amino-7-(3,4-difluorophenyl)-6,7-dihydro[1,3]thiazolo[4,5-b]pyridin-5-ol
Smiles: OC1=Nc2nc(sc2C(C1)c1ccc(c(c1)F)F)N

STK661229
Synonyms: 4-{[(5-chloro-1H-indol-1-yl)acetyl]amino}benzamide
Smiles: O=C(Cn1ccc2c1ccc(c2)Cl)Nc1ccc(cc1)C(=O)N

STK661234
Synonyms: 2-(4-chlorophenyl)-5-hydroxy-3-methyl-N-[3-(methylsulfanyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
Smiles: CSc1cccc(c1)NC(=O)C1CC(=Nc2n1nc(c2C)c1ccc(cc1)Cl)O

STK661236
Synonyms: methylN-({4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}carbonyl)-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)F

STK661237
Synonyms: N-[3-(acetylamino)phenyl]-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]amino}benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)Nc1cccc(c1)NC(=O)C)NC1CCS(=O)(=O)C1

STK661239
Synonyms: N-cyclohexyl-N'-(1H-indol-4-yl)ethanediamide
Smiles: O=C(C(=O)NC1CCCCC1)Nc1cccc2c1cc[nH]2

STK661242
Synonyms: 2-(4-methoxyphenyl)-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]quinoline-4-carboxamide
Smiles: COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)/N=c/1\scc([nH]1)C

STK661243
Synonyms: methyl4-({[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c([nH]1)cc(c(n2)C)Br

STK661249
Synonyms: N-[(2R)-1-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}-1-oxopropan-2-yl]pyridine-3-carboxamide
Smiles: O=C([C@H](NC(=O)c1cccnc1)C)NCCc1c[nH]c2c1cc(Cl)cc2

STK661252
Synonyms: 4-{[6-(propan-2-yl)-2-(pyridin-2-yl)quinolin-4-yl]carbonyl}piperazin-2-one
Smiles: O=C1NCCN(C1)C(=O)c1cc(nc2c1cc(cc2)C(C)C)c1ccccn1

STK661253
Synonyms: N-(3-methoxyphenyl)-1-methyl-4-(4-phenylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Smiles: COc1cccc(c1)Nc1nc(N2CCN(CC2)c2ccccc2)c2c(n1)n(C)nc2

STK661256
Synonyms: 1-[2-hydroxy-4-methyl-6-(4-methylphenyl)-1,6-dihydropyrimidin-5-yl]ethanone
Smiles: Cc1ccc(cc1)C1NC(=NC(=C1C(=O)C)C)O

STK661258
Synonyms: methylN-[(6-chloro-1H-indol-1-yl)acetyl]-L-methioninate
Smiles: CSCC[C@@H](C(=O)OC)NC(=O)Cn1ccc2c1cc(Cl)cc2

STK661259
Synonyms: N-(3-methoxyphenyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
Smiles: COc1cccc(c1)NC(=O)Cc1cnc(s1)n1cccc1

STK661260
Synonyms: N-(3-fluorobenzyl)-3-[4-(1H-imidazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
Smiles: Fc1cccc(c1)CNC(=O)c1onc(n1)c1ccc(cc1)Cn1cncc1

STK661261
Synonyms: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2c([nH]1)cc(cn2)Br

STK661263
Synonyms: methyl3-{[(6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)NC(=O)c1nn(c2c1Cc1c2cc(c(c1)OC)OC)C

STK661264
Synonyms: 2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)/N=c/1\[nH]nc(s1)CCc1ccccc1

STK661265
Synonyms: 7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: OC1=Nc2c(C(C1)c1cccc(c1)F)ncn2c1ccccc1

STK661269
Synonyms: N-[2-(1,3-benzodioxol-5-yl)-2-(pyrrolidin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
Smiles: O=C(Cc1ccc(cc1)F)NCC(c1ccc2c(c1)OCO2)N1CCCC1

STK661270
Synonyms: 3-methyl-4-[4-(propan-2-yloxy)phenyl]-1-(9H-purin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: CC(Oc1ccc(cc1)C1CC(=Nc2c1c(C)nn2c1ncnc2c1nc[nH]2)O)C

STK661275
Synonyms: N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-4-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: O=C(NCC1CC2CC1C=C2)CCCn1c(O)nc2c(c1=O)cccc2

STK661276
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[2-(imidazo[1,5-a]pyridin-3-yl)ethyl]ethanesulfonamide
Smiles: O=C1N(CCS(=O)(=O)NCCc2ncc3n2cccc3)C(=O)c2c1cccc2

STK661278
Synonyms: 3-[carboxy(4-phenylpiperazin-1-yl)methyl]-1-methyl-1H-indole-2-carboxylicacid
Smiles: OC(=O)C(c1c2ccccc2n(c1C(=O)O)C)N1CCN(CC1)c1ccccc1

STK661281
Synonyms: 3,4-dichloro-N-[2-(imidazo[1,5-a]pyridin-3-yl)ethyl]benzenesulfonamide
Smiles: Clc1ccc(cc1Cl)S(=O)(=O)NCCc1ncc2n1cccc2

STK858598
Synonyms: N-cycloheptyl-3-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]propanamide
Smiles: O=C(NC1CCCCCC1)CCc1sc(nc1c1cccs1)C

STK661283
Synonyms: 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1[nH]c2c(n1)ncc(c2)Cl)C

STK661284
Synonyms: N-methyl-2-(2-{5-[5-(pyrrolidin-1-ylsulfonyl)furan-2-yl]-1,2,4-oxadiazol-3-yl}phenoxy)acetamide
Smiles: CNC(=O)COc1ccccc1c1noc(n1)c1ccc(o1)S(=O)(=O)N1CCCC1

STK661289
Synonyms: N-(1,3-thiazol-2-yl)-3-(thiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]butanamide
Smiles: O=C(CC(c1cccc(c1)C(F)(F)F)(c1cccs1)C)Nc1nccs1

STK661290
Synonyms: {6-[(2-methylpropanoyl)amino]-1H-indol-3-yl}(morpholin-4-yl)aceticacid
Smiles: OC(=O)C(c1c[nH]c2c1ccc(c2)NC(=O)C(C)C)N1CCOCC1

STK661291
Synonyms: 1-hydroxy-9,9-dimethyl-4-[3-(morpholin-4-yl)propyl]-9,10-dihydropyrimido[4,5-c]isoquinoline-3,7(4H,8H)-dione
Smiles: O=C1CC(C)(C)Cc2c1cnc1c2c(O)nc(=O)n1CCCN1CCOCC1

STK661292
Synonyms: 2-(5-chloro-1H-indol-1-yl)-N-[3-(propan-2-yloxy)propyl]acetamide
Smiles: O=C(Cn1ccc2c1ccc(c2)Cl)NCCCOC(C)C

STK661294
Synonyms: 1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-3-(propan-2-yl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Smiles: O=C(N1CCCc2c1cccc2)Cn1c(=O)n(C(C)C)c(=O)c2c1ccs2

STK661297
Synonyms: 1-(azepan-1-yl)-2-(5-chloro-1H-indol-1-yl)ethanone
Smiles: Clc1ccc2c(c1)ccn2CC(=O)N1CCCCCC1

STK661301
Synonyms: N-[(2E)-4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2(3H)-ylidene]pentanamide
Smiles: CCCCC(=O)/N=c\1/sc(c([nH]1)C)c1onc(n1)c1ccccc1

STK661302
Synonyms: 6-(morpholin-4-yl)-3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazine
Smiles: CC(c1nnc2n1nc(cc2)N1CCOCC1)C

STK661304
Synonyms: 4-{[6-(benzyloxy)-1H-indol-1-yl]acetyl}piperazine-1-carbaldehyde
Smiles: O=CN1CCN(CC1)C(=O)Cn1ccc2c1cc(OCc1ccccc1)cc2

STK661309
Synonyms: 3-(4-chlorobenzyl)-1,2-benzoxazol-6-ylbenzoate
Smiles: Clc1ccc(cc1)Cc1noc2c1ccc(c2)OC(=O)c1ccccc1

STK661315
Synonyms: 2-(4-chloro-1H-indol-1-yl)-N-(pyridin-3-yl)acetamide
Smiles: O=C(Cn1ccc2c1cccc2Cl)Nc1cccnc1

STK661317
Synonyms: 3-[2-(propan-2-yloxy)phenyl]-5-[5-(pyrrolidin-1-ylsulfonyl)furan-2-yl]-1,2,4-oxadiazole
Smiles: CC(Oc1ccccc1c1noc(n1)c1ccc(o1)S(=O)(=O)N1CCCC1)C

STK661323
Synonyms: 1-{[5-(benzyloxy)-1H-indol-1-yl]acetyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)Cn1ccc2c1ccc(c2)OCc1ccccc1

STK661325
Synonyms: 3,5-dimethyl-N-{2-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]ethyl}-1,2-oxazole-4-sulfonamide
Smiles: Cc1onc(c1S(=O)(=O)NCCc1csc(n1)c1ccncc1)C

STK661326
Synonyms: N-[(2E)-5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)/N=c/1\[nH]nc(s1)C1CCCO1

STK661327
Synonyms: 1-methyl-N-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: CN1CCN(CC1)Nc1ncnc2c1cnn2C

STK661328
Synonyms: (4-ethylpiperazin-1-yl){6-[(phenylcarbonyl)amino]-1H-indol-3-yl}aceticacid
Smiles: CCN1CCN(CC1)C(c1c[nH]c2c1ccc(c2)NC(=O)c1ccccc1)C(=O)O

STK661332
Synonyms: 1-(3-chloro-4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(c(c1)Cl)F)Nc1ncc(s1)C

STK661333
Synonyms: 1-methyl-N-(2-{[(5-oxo-1-phenylpyrrolidin-3-yl)carbonyl]amino}ethyl)-1H-indole-3-carboxamide
Smiles: O=C(C1CN(C(=O)C1)c1ccccc1)NCCNC(=O)c1cn(c2c1cccc2)C

STK661335
Synonyms: 8-ethyl-8-methyl-3-(2-methylprop-2-en-1-yl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCC1(C)OCc2c(C1)nc1c(c2)c2c(s1)c(=O)n(cn2)CC(=C)C

STK661337
Synonyms: N-[(2E)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccccc1N1CC(CC1=O)C(=O)/N=c/1\[nH]nc(s1)C1CC1

STK661338
Synonyms: 2-amino-7-[2-(cyclopentyloxy)phenyl]-6,7-dihydro[1,3]thiazolo[4,5-b]pyridin-5-ol
Smiles: OC1=Nc2nc(sc2C(C1)c1ccccc1OC1CCCC1)N

STK661341
Synonyms: 6-hydroxy-3-methyl-N-phenyl-4-(thiophen-2-yl)-4,5-dihydrothieno[2,3-b]pyridine-2-carboxamide
Smiles: OC1=Nc2sc(c(c2C(C1)c1cccs1)C)C(=O)Nc1ccccc1

STK661343
Synonyms: 2-[(methylsulfonyl)amino]-N-[(2E)-5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)sc(n2)NS(=O)(=O)C)/N=c/1\[nH]nc(s1)C1CCCO1

STK661347
Synonyms: ethyl4-[6-(4-oxoquinazolin-3(4H)-yl)hexanoyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)CCCCCn1cnc2c(c1=O)cccc2

STK661348
Synonyms: N-{2-[1-(4-chlorobenzyl)cyclohexyl]ethyl}-1-methylpiperidin-4-amine
Smiles: CN1CCC(CC1)NCCC1(CCCCC1)Cc1ccc(cc1)Cl

STK661350
Synonyms: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc2c(c1)OCCCO2)CCCCCn1c(O)nc2c(c1=O)cccc2

STK661351
Synonyms: N-[(2E)-5-benzyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)/N=c/1\[nH]nc(s1)Cc1ccccc1

STK661357
Synonyms: 4-{[5-(benzyloxy)-1H-indol-1-yl]acetyl}piperazin-2-one
Smiles: O=C1NCCN(C1)C(=O)Cn1ccc2c1ccc(c2)OCc1ccccc1

STK661358
Synonyms: 2-hydroxy-N-[(5E)-4-oxo-5-(quinolin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: S=C1S/C(=C/c2ccc3c(c2)cccn3)/C(=O)N1NC(=O)c1ccccc1O

STK661359
Synonyms: N-cyclopropyl-3-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]propanamide
Smiles: O=C(NC1CC1)CCc1sc(nc1c1cccs1)C

STK661360
Synonyms: 3-[6-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoicacid
Smiles: OC(=O)CCc1nnc2n1nc(cc2)N1CCN(CC1)c1ccccc1

STK661361
Synonyms: 4-(morpholin-4-ylsulfonyl)-N-{2-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]ethyl}benzamide
Smiles: O=C(c1ccc(cc1)S(=O)(=O)N1CCOCC1)NCCc1csc(n1)c1ccncc1

STK661362
Synonyms: 7,8-dimethyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4(3H)-one
Smiles: O=C(N1CCCC1)Cn1cnc2c(c1=O)oc1c2cc(c(n1)C)C

STK661363
Synonyms: 2-benzyl-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1,3,4-oxadiazole
Smiles: Cc1c(nnn1c1ccccc1)c1nnc(o1)Cc1ccccc1

STK661365
Synonyms: 1-(6-chloropyridazin-3-yl)-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: CCOc1cc(ccc1O)C1CC(=Nc2c1c(C)nn2c1ccc(nn1)Cl)O

STK801791
Synonyms: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol
Smiles: Oc1cccc2c1OC(C2)(C)C

STK801794
Synonyms: 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylicacid
Smiles: O=c1cc(C)c(c(o1)C)C(=O)O

STK801796
Synonyms: (4E)-4-(furan-3-ylmethylidene)-1H-isochromene-1,3(4H)-dione
Smiles: O=C1OC(=O)c2c(/C/1=C\c1ccoc1)cccc2

STK801799
Synonyms: N-acetyl-D-valine
Smiles: CC(=O)N[C@@H](C(=O)O)C(C)C

STK801800
Synonyms: 2-(acetylamino)-2-deoxy-D-glucose
Smiles: O=C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C

STK801801
Synonyms: 5,5'-(disulfanediyldimethanediyl)bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]
Smiles: OCc1c(CSSCc2cnc(c(c2CO)O)C)cnc(c1O)C

STK801802
Synonyms: [(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,9,17-trien-14-yl]aceticacid(non-preferredname)
Smiles: OC(=O)C[C@@H]1OCC=C2[C@H]3[C@@H]1[C@@H]1NC4=C([N+](=O)[O-])C(=O)C(=O)C=C4[C@@]41[C@H](C3)N(C2)CC4

STK801804
Synonyms: 8-aminobenzo[g]pteridine-2,4(1H,3H)-dione
Smiles: Nc1ccc2c(c1)nc1c(n2)c(=O)[nH]c(=O)[nH]1

STK801806
Synonyms: 2-hydroxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
Smiles: COCc1cc(C)nc(c1C#N)O

STK801809
Synonyms: (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)aceticacid
Smiles: OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK801811
Synonyms: (8R,9S,10R,13S,14S,17R)-3-ethoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one
Smiles: CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C

STK801813
Synonyms: 1,4:3,6-dianhydro-D-glucitol
Smiles: O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

STK801814
Synonyms: 3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
Smiles: OC1C(=O)OCC1(C)C

STK801816
Synonyms: 4-hydroxy-2H-chromen-2-one
Smiles: O=c1cc(O)c2c(o1)cccc2

STK801818
Synonyms: (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-4,5-dimethyl-3-(propan-2-yl)-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
Smiles: CC([C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O)C

STK801820
Synonyms: 4,5-dimethyl-6-(2-methylprop-1-en-1-yl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Smiles: CC(=CC1=C(C)C(C2C(C1)C(=O)OC2=O)C)C

STK801822
Synonyms: N-[(4-aminophenyl)carbonyl]glycine
Smiles: O=C(c1ccc(cc1)N)NCC(=O)O

STK801823
Synonyms: 2-amino-2-deoxy-D-glucopyranose
Smiles: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)N

STK801824
Synonyms:
Smiles: O[C@H]1C(O)O[C@H]2[C@@H]1OC(=O)C2O

STK801825
Synonyms: 2-hydroxynaphthalene-1,4-dione
Smiles: O=C1C=C(O)C(=O)c2c1cccc2

STK801829
Synonyms: 1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)propan-2-one
Smiles: COc1c2c(CCN(C2CC(=O)C)C)cc2c1OCO2

STK801833
Synonyms: 3-hydroxyestra-1,3,5(10)-trien-17-one
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C

STK801834
Synonyms: (17beta)-3-oxoandrost-4-en-17-ylpropanoate
Smiles: CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C

STK801836
Synonyms: 2-(piperidin-2-yl)ethanol
Smiles: OCCC1CCCCN1

STK801841
Synonyms: 1,2-dihydroxyanthracene-9,10-dione
Smiles: O=C1c2ccccc2C(=O)c2c1ccc(c2O)O

STK801842
Synonyms:
Smiles: OCC([C@@H]1O[C@@H]2[C@H]([C@@H]1O)O[C@@H](O2)C(Cl)(Cl)Cl)O

STK801848
Synonyms: methylL-lysinate
Smiles: COC(=O)C(CCCCN)N

STK801850
Synonyms: 5-amino-2,6-dihydroxypyrimidine-4-carboxylicacid
Smiles: Oc1nc(O)c(c(n1)C(=O)O)N

STK801851
Synonyms: 3,4-dihydro-2H-chromen-2-one
Smiles: O=C1CCc2c(O1)cccc2

STK801855
Synonyms: octanedioicacid
Smiles: OC(=O)CCCCCCC(=O)O

STK801857
Synonyms: 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
Smiles: C=C1C2CCC(C1(C)C)C2

STK801861
Synonyms:
Smiles: CCC(C(C(=O)O)NC(=O)C)C

STK801862
Synonyms: (3alpha,5alpha,25R)-spirostan-3-ol
Smiles: C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@H](C3)O)C

STK801864
Synonyms: (3beta,5alpha)-3-hydroxypregn-16-en-20-one
Smiles: O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2C(=O)C)C)C

STK801865
Synonyms: (5alpha)-pregnane-3,11,20-trione
Smiles: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C

STK801866
Synonyms: (3beta,5alpha)-3-hydroxyandrostan-17-one
Smiles: O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

STK801867
Synonyms: (3beta)-3-hydroxypregna-5,16-dien-20-one
Smiles: O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2C(=O)C)C)C1)C

STK801868
Synonyms: (3beta,16alpha)-3-hydroxy-16,17-epoxypregn-5-en-20-one
Smiles: O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@@H]3[C@]2(O3)C(=O)C)C)C1)C

STK801869
Synonyms: (16alpha)-16,17-epoxypregn-4-ene-3,20-dione
Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@]2(O1)C(=O)C)C)C

STK801870
Synonyms: (17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-one
Smiles: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C

STK801871
Synonyms: androst-4-ene-3,17-dione
Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

STK801872
Synonyms: androsta-1,4-diene-3,17-dione
Smiles: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

STK801873
Synonyms: (17alpha)-17-hydroxypregn-4-en-20-yn-3-one
Smiles: C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C

STK801874
Synonyms: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione
Smiles: O=C1CC[C@]2(C(=C1)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C

STK801875
Synonyms: (8R,9S,10R,13S,14S,17R)-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione
Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C

STK801877
Synonyms: (8R,10R,13S,17S)-3-methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxirane]
Smiles: COC1=CC2=CC[C@@H]3C([C@]2(CC1)C)CC[C@]1(C3CC[C@]21CO2)C

STK801880
Synonyms: (3alpha,9xi,14xi,24S)-stigmast-5-en-3-ol
Smiles: CC[C@H](C(C)C)CC[C@H]([C@H]1CCC2[C@]1(C)CCC1[C@H]2CC=C2[C@]1(C)CC[C@H](C2)O)C

STK801881
Synonyms: 3-amino-3-(4-ethoxynaphthalen-1-yl)propanoicacid
Smiles: CCOc1ccc(c2c1cccc2)C(CC(=O)O)N

STK801883
Synonyms: 4-(chloromethyl)-6,7-dimethyl-2H-chromen-2-one
Smiles: ClCc1cc(=O)oc2c1cc(C)c(c2)C

STK801884
Synonyms: 4-(chloromethyl)-6,8-dimethyl-2H-chromen-2-one
Smiles: ClCc1cc(=O)oc2c1cc(C)cc2C

STK801885
Synonyms: 7-oxo-2,3,6,7-tetrahydro[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
Smiles: O=Cc1cc2cc3OCCOc3cc2[nH]c1=O

STK801886
Synonyms: (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
Smiles: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4cc3Cn1c2=O

STK801888
Synonyms: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cn([C@@H]2O[C@@H](C=C2)CO)c(=O)[nH]c1=O

STK801889
Synonyms: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid4,4-dioxide
Smiles: OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C

STK801890
Synonyms: (2S,5R)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid4,4-dioxide
Smiles: OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)Cn1ccnn1

STK801891
Synonyms: 3'-azido-3'-deoxythymidine
Smiles: OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O

STK801892
Synonyms: (6R,6aR,13S,13aS)-1,3,4,6,6a,7,8,9,10,12,13,13a-dodecahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine
Smiles: C1CC[C@H]2N(C1)C[C@@H]1C[C@H]2C=C2[C@H]1NCCC2

STK801893
Synonyms: (3R)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Smiles: Oc1ccc(cc1)[C@@H]1COc2c(C1)ccc(c2)O

STK801894
Synonyms: 13,14-didehydromatridin-15-one
Smiles: O=C1C=CC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3

STK801895
Synonyms: (5beta)-matridin-15-one
Smiles: O=C1CCC[C@H]2N1C[C@H]1CCCN3[C@@H]1[C@@H]2CCC3

STK801897
Synonyms: (1alpha,5beta,6beta,9beta,10alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one
Smiles: C=C1C2CC[C@@H]3C(C1=O)([C@@H]2O)[C@@]1(O)OC[C@@]23[C@@H](O)CCC([C@H]2[C@@H]1O)(C)C

STK801901
Synonyms: 2-{[3-(4-methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetohydrazide
Smiles: NNC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)OC)C

STK801902
Synonyms: 4-(chloromethyl)-7-methoxy-2H-chromen-2-one
Smiles: COc1ccc2c(c1)oc(=O)cc2CCl

STK801904
Synonyms: 4-(chloromethyl)-7,8-dimethyl-2H-chromen-2-one
Smiles: ClCc1cc(=O)oc2c1ccc(c2C)C

STK801907
Synonyms: (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod
Smiles: COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C

STK801908
Synonyms: (1beta)-6,6',7,12-tetramethoxy-2,2'-dimethylberbaman
Smiles: COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C

STK801909
Synonyms: 2'-deoxy-5-fluorouridine
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O

STK801910
Synonyms: 2-amino-9-{[(1,3-dihydroxypropan-2-yl)oxy]methyl}-1,9-dihydro-6H-purin-6-one
Smiles: OCC(OCn1cnc2c1nc(N)[nH]c2=O)CO

STK801912
Synonyms: (3E)-4-hydroxy-3-{2-[(4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}dihydrofuran-2(3H)-one
Smiles: OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1\C(O)COC1=O)C

STK801913
Synonyms: 13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylicacid
Smiles: O=C1N2Cc3ccccc3C(CC2c2c1c(ccc2)C(=O)O)(C)C

STK801914
Synonyms: 4-[(methylamino)methyl]quinolin-2-ol
Smiles: CNCc1cc(O)nc2c1cccc2

STK801916
Synonyms: (7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one4-oxide
Smiles: O=C1CCC[C@H]2N1C[C@@H]1CCC[N+]3([C@@H]1[C@@H]2CCC3)[O-]

STK801917
Synonyms: 1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Smiles: O=C1c2c3CCCC(c3ccc2c2c(C1=O)c(C)co2)(C)C

STK801918
Synonyms: (5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Smiles: COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O

STK801919
Synonyms: 3-formyl-6-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)[nH]c(c2C=O)C(=O)O

STK801921
Synonyms: (2-oxo-3,4-dihydro-2H-chromen-4-yl)aceticacid
Smiles: OC(=O)CC1CC(=O)Oc2c1cccc2

STK801923
Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Smiles: Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O

STK801924
Synonyms: 2-amino-9H-purin-6-ol
Smiles: Nc1nc(O)c2c(n1)[nH]cn2

STK801926
Synonyms: 6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxylicacid
Smiles: O=C1c2ccccc2C(=O)c2c1n1ccccc1c2C(=O)O

STK801927
Synonyms: guanosine
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=N)[nH]c2=O

STK801928
Synonyms: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylicacid
Smiles: O[C@@H]1[C@H](O)C[C@@](C[C@H]1O)(O)C(=O)O

STK801930
Synonyms: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose
Smiles: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O

STK801932
Synonyms: dimethyl2-methylidenebutanedioate
Smiles: COC(=O)CC(=C)C(=O)OC

STK801935
Synonyms: 4-[(propan-2-ylamino)methyl]quinolin-2-ol
Smiles: CC(NCc1cc(O)nc2c1cccc2)C

STK801937
Synonyms: (2S,3aS,6aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylicacid(non-preferredname)
Smiles: CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1

STK801938
Synonyms: (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl2,2-dimethylbutanoate
Smiles: CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)(C)C

STK801939
Synonyms: (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
Smiles: O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C

STK801940
Synonyms: 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one
Smiles: Nc1ccn(c(=O)n1)[C@@H]1CS[C@@H](O1)CO

STK801941
Synonyms: 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoicacid
Smiles: OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

STK801942
Synonyms: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Smiles: OCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC

STK801943
Synonyms: (6alpha,9xi,14xi)-6-methyl-3,20-dioxopregn-4-en-17-ylacetate
Smiles: O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1C2CC[C@]2(C1CC[C@]2(OC(=O)C)C(=O)C)C)C

STK801944
Synonyms:
Smiles: OCC1O[C@@H](O)C([C@@H]([C@H]1O)O)NC(=O)C

STK801945
Synonyms:
Smiles: CC[C@H]1[C@H]2CC3N([C@@H]1O)[C@H]1[C@@H]2C(O)[C@]2([C@H]3N(C)c3c2cccc3)C1

STK801948
Synonyms: (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oicacid
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C

STK801951
Synonyms: 2H-chromene-3-carboxylicacid
Smiles: OC(=O)C1=Cc2c(OC1)cccc2

STK801952
Synonyms: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetra
Smiles: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(C(O2)C)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)OC

STK801953
Synonyms: (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl(2S)-2-methylbutanoate
Smiles: CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C

STK801954
Synonyms: 3',5-di(prop-2-en-1-yl)biphenyl-2,4'-diol
Smiles: C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O

STK801955
Synonyms: 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
Smiles: C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O

STK801956
Synonyms: 9-(2-deoxy-beta-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
Smiles: OCC1OC(CC1O)n1cnc2c1nc[nH]c2=O

STK801957
Synonyms: 7-(2,3-dihydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1cnc2c1c(=O)[nH]c(=O)[nH]2)O

STK801959
Synonyms:
Smiles: CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=CC([C@H](O2)C(CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C

STK801964
Synonyms: 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
Smiles: Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O

STK801965
Synonyms: (11alpha)-11-hydroxypregn-4-ene-3,20-dione
Smiles: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C

STK801966
Synonyms: (8R,9S,10R,13S,14S,17R)-3-methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one
Smiles: COC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C

STK801967
Synonyms: (2R,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-
Smiles: CO[C@H]1/C=C/O[C@]2(C)Oc3c(C2=O)c2c(O)c(C=O)c(c(c2c(c3C)O)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C

STK801968
Synonyms: 4-hydroxy-3,5-dimethoxybenzaldehyde
Smiles: COc1cc(C=O)cc(c1O)OC

STK801969
Synonyms: 5-(1,2-dithiolan-3-yl)pentanoicacid
Smiles: OC(=O)CCCCC1SSCC1

STK801971
Synonyms: N-9H-purin-6-yl-L-leucine
Smiles: CC(C[C@@H](C(=O)O)Nc1ncnc2c1nc[nH]2)C

STK801972
Synonyms: N-9H-purin-6-yl-L-phenylalanine
Smiles: OC(=O)[C@@H](Nc1ncnc2c1nc[nH]2)Cc1ccccc1

STK801974
Synonyms: 3-(2-aminoethyl)-1,3-dihydro-2H-indol-2-one
Smiles: NCCC1C(=O)Nc2c1cccc2

STK801975
Synonyms: methyl(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate
Smiles: COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC

STK801976
Synonyms: 21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Smiles: ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F

STK801979
Synonyms: 7-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Smiles: Oc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK801980
Synonyms: 2-hydroxy-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Smiles: Oc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK801981
Synonyms: (13bS)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Smiles: O=C1c2ccccc2N([C@H]2N1CCc1c2[nH]c2c1cccc2)C

STK801982
Synonyms: (2E,5alpha,8xi,9xi,14xi,17beta)-17-hydroxy-2-(hydroxymethylidene)-17-methylandrostan-3-one
Smiles: O/C=C/1\C[C@@]2(C)[C@H](CC1=O)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C

STK801984
Synonyms: (8xi,11beta,14xi,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropanoate
Smiles: CCC(=O)O[C@@]1([C@@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl

STK801985
Synonyms: 5-hydroxypyridine-3-carboxylicacid
Smiles: Oc1cncc(c1)C(=O)O

STK801986
Synonyms: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1cc2C[C@H](NCc2cc1OC)C(=O)N

STK801988
Synonyms: methyl4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Smiles: COC(=O)c1c(C)cc(=O)oc1C

STK801991
Synonyms: 2-acetylcyclopentanone
Smiles: CC(=O)C1CCCC1=O

STK801993
Synonyms: (3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-trihydroxycholan-24-oicacid
Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C

STK802000
Synonyms: (3S)-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CNC(=O)[C@H]1NCc2c(C1)cc(c(c2)OC)OC

STK802001
Synonyms: 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoicacid
Smiles: OC(=O)CCc1nc2ccccc2n(c1=O)C

STK802002
Synonyms: 4-hydroxyquinoline-3-carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)cccc2

STK802003
Synonyms: 3-(aminomethyl)-6,7-dimethoxy-2-benzofuran-1(3H)-one
Smiles: NCC1OC(=O)c2c1ccc(c2OC)OC

STK802004
Synonyms: 4-hydroxy-6-methoxyquinoline-3-carboxylicacid
Smiles: COc1ccc2c(c1)c(O)c(cn2)C(=O)O

STK802005
Synonyms: 4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2CN(C)CCc2cc2c1OCO2

STK802006
Synonyms: 3-[(dimethylamino)methyl]-1H-indole-5-carboxylicacid
Smiles: CN(Cc1c[nH]c2c1cc(cc2)C(=O)O)C

STK802007
Synonyms: 3-(morpholin-4-ylmethyl)-1H-indole-5-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)c(CN1CCOCC1)c[nH]2

STK802008
Synonyms: 3-[(dimethylamino)methyl]-1H-indole-6-carboxylicacid
Smiles: CN(Cc1c[nH]c2c1ccc(c2)C(=O)O)C

STK802009
Synonyms: 1-methyl-1H-indole-4-carboxylicacid
Smiles: OC(=O)c1cccc2c1ccn2C

STK802010
Synonyms: 6-hydroxy-1-benzofuran-3(2H)-one
Smiles: Oc1ccc2c(c1)OCC2=O

STK802011
Synonyms: (8xi,11beta,14xi,16alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylfuran-2-carboxylate
Smiles: ClCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)Cl

STK802012
Synonyms: 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline
Smiles: SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C

STK802013
Synonyms: (6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)aceticacid
Smiles: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)O

STK802015
Synonyms: N-1,3-benzodioxol-5-yl-N~2~-methylglycinamide
Smiles: CNCC(=O)Nc1ccc2c(c1)OCO2

STK802016
Synonyms: N-pyrimidin-2-ylglycine
Smiles: OC(=O)CNc1ncccn1

STK802018
Synonyms: 4-(pyrimidin-2-ylamino)butanoicacid
Smiles: OC(=O)CCCNc1ncccn1

STK802019
Synonyms: N-(4,6-dimethylpyrimidin-2-yl)phenylalanine
Smiles: OC(=O)C(Nc1nc(C)cc(n1)C)Cc1ccccc1

STK802020
Synonyms: N-pyrimidin-2-ylphenylalanine
Smiles: OC(=O)C(Nc1ncccn1)Cc1ccccc1

STK802023
Synonyms: (1S,5S)-3-[(2-aminoethyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1

STK802026
Synonyms: 4-(chloromethyl)-7,8-dihydroxy-2H-chromen-2-one
Smiles: ClCc1cc(=O)oc2c1ccc(c2O)O

STK802027
Synonyms: 3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)propanoicacid
Smiles: OC(=O)CCc1cc2c(C)cc(=O)oc2cc1O

STK802029
Synonyms: N-{3-[(2E)-3-(dimethylamino)prop-2-enoyl]-4-hydroxyphenyl}acetamide
Smiles: CC(=O)Nc1ccc(c(c1)C(=O)/C=C/N(C)C)O

STK802030
Synonyms: 6-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Smiles: Brc1cccc2c1[nH]c1c2CNCC1

STK802032
Synonyms: methyl3-formyl-1-methyl-1H-indole-4-carboxylate
Smiles: COC(=O)c1cccc2c1c(C=O)cn2C

STK802033
Synonyms: 3-formyl-1-methyl-1H-indole-4-carboxylicacid
Smiles: O=Cc1cn(c2c1c(ccc2)C(=O)O)C

STK802047
Synonyms: pyridin-3-ol
Smiles: Oc1cccnc1

STK802048
Synonyms: 2-(dipropan-2-ylamino)ethanol
Smiles: OCCN(C(C)C)C(C)C

STK802054
Synonyms: 2-hydroxypropane-1,3-diyldihexadecanoate
Smiles: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O

STK802055
Synonyms: 2-hydroxy-N-methylbenzamide
Smiles: CNC(=O)c1ccccc1O

STK802061
Synonyms: methylN-(6-methyl-4-phenylquinazolin-2-yl)glycinate
Smiles: COC(=O)CNc1nc2ccc(cc2c(n1)c1ccccc1)C

STK802062
Synonyms: ethyl5-fluoro-3-methyl-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1C)cc(cc2)F

STK802063
Synonyms: 5-bromo-3-methyl-1H-indole-2-carbohydrazide
Smiles: NNC(=O)c1[nH]c2c(c1C)cc(cc2)Br

STK802064
Synonyms: 7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
Smiles: O=Cc1cc2cc3OCCOc3cc2nc1Cl

STK802065
Synonyms: 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
Smiles: Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2

STK802066
Synonyms: 1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
Smiles: CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C

STK802067
Synonyms: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1

STK802068
Synonyms: {(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}aceticacid
Smiles: OC(=O)CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2

STK802069
Synonyms: (2E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Smiles: CN(Cc1cccc2c1cccc2)C/C=C/C#CC(C)(C)C

STK802071
Synonyms: N-[1-(pyridin-3-yl)ethyl]aniline
Smiles: CC(c1cccnc1)Nc1ccccc1

STK802074
Synonyms: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
Smiles: CCC1(CCC(=O)NC1=O)c1ccc(cc1)N

STK802081
Synonyms: 1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylicacid
Smiles: COc1ccc(cc1)n1c(C)cc(c1C)C(=O)O

STK802084
Synonyms: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylicacid
Smiles: OC(=O)c1ccc(o1)CSc1nc(C)cc(n1)C

STK802088
Synonyms: 2-cyclopentyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)C1CCCC1)O2

STK802093
Synonyms: 6-bromo-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylicacid
Smiles: COc1cc2c(cc1Br)n(c(c2C(=O)O)C)C

STK802094
Synonyms: 6-chloro[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
Smiles: O=Cc1cc2cc3OCOc3cc2nc1Cl

STK802097
Synonyms: 3-(3-hydroxy-6-oxopyridazin-1(6H)-yl)propanoicacid
Smiles: OC(=O)CCn1nc(O)ccc1=O

STK802098
Synonyms: 4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine
Smiles: CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1

STK802099
Synonyms: 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol
Smiles: Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1

STK802100
Synonyms: 7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1

STK802101
Synonyms: 2-(2-fluorobiphenyl-4-yl)propanoicacid
Smiles: OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C

STK802102
Synonyms: 4-(3-amino-4-methylphenyl)phthalazin-1(2H)-one
Smiles: Cc1ccc(cc1N)c1n[nH]c(=O)c2c1cccc2

STK802107
Synonyms: 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile
Smiles: N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1

STK802108
Synonyms: diphenyl(piperidin-4-yl)methanol
Smiles: OC(c1ccccc1)(c1ccccc1)C1CCNCC1

STK802109
Synonyms: 1-[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methanamine
Smiles: NCC1(CCOCC1)c1ccc(cc1)OC

STK802110
Synonyms: 2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
Smiles: Nc1nc(O)c2c(n1)CCC2

STK802112
Synonyms: N-[1-(pyridin-2-yl)ethyl]aniline
Smiles: CC(c1ccccn1)Nc1ccccc1

STK802114
Synonyms: 7-chloro-4-nitro-N-(pyridin-2-yl)-2,1,3-benzoxadiazol-5-amine
Smiles: [O-][N+](=O)c1c(Nc2ccccn2)cc(c2c1non2)Cl

STK802121
Synonyms: 3-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethenyl}furan-2(5H)-one
Smiles: OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C

STK802125
Synonyms: 2-{3-hydroxy-4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1n[nH]c(c1c1ccc(cc1)OC)C

STK802126
Synonyms: 2-{4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy}acetohydrazide
Smiles: NNC(=O)COc1ccc(c(c1)O)c1n[nH]c(c1c1ccc(c(c1)OC)OC)C

STK802128
Synonyms: bis(chloromethyl)phosphinicacid
Smiles: ClCP(=O)(CCl)O

STK802129
Synonyms: 4-[(benzylamino)methyl]quinolin-2-ol
Smiles: Oc1cc(CNCc2ccccc2)c2c(n1)cccc2

STK802130
Synonyms: 2-(4-nitrophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)[N+](=O)[O-])O2

STK802132
Synonyms: 5-(2-chlorobenzyl)-6-methyl-2-sulfanylpyrimidin-4-ol
Smiles: Sc1nc(C)c(c(n1)O)Cc1ccccc1Cl

STK802135
Synonyms: 4-chloro-9-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1cccc2c1c1ncnc(c1[nH]2)Cl

STK802136
Synonyms: 2-bromo-1-(1H-indol-3-yl)propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)Br

STK802137
Synonyms: 5-methyl-1H-indole
Smiles: Cc1ccc2c(c1)cc[nH]2

STK802139
Synonyms: 5-chloro-4-nitro-2,1,3-benzoxadiazole
Smiles: [O-][N+](=O)c1c(Cl)ccc2c1non2

STK802143
Synonyms: methyl4-(2-methoxyphenyl)-2,4-dioxobutanoate
Smiles: COC(=O)C(=O)CC(=O)c1ccccc1OC

STK802146
Synonyms: 1H-indol-3-amine
Smiles: Nc1c[nH]c2c1cccc2

STK802147
Synonyms: 3-oxo-3H-phenoxazin-7-olate10-oxide
Smiles: [O-]c1ccc2c(c1)oc1c([n+]2[O-])ccc(=O)c1

STK802150
Synonyms: 3,4-dichloro-5-hydroxyfuran-2(5H)-one
Smiles: OC1OC(=O)C(=C1Cl)Cl

STK802152
Synonyms: ethyl4-(3-formyl-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)c1nc2c(C)cccn2c(=O)c1C=O

STK802156
Synonyms: 1H-indol-4-ol
Smiles: Oc1cccc2c1cc[nH]2

STK802158
Synonyms: 6-fluoro-1H-indole
Smiles: Fc1ccc2c(c1)[nH]cc2

STK802159
Synonyms: 1,4:3,6-dianhydro-2-O-nitro-D-glucitol
Smiles: [O-][N+](=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O

STK802162
Synonyms: 2,6-dihydroxybenzoicacid
Smiles: OC(=O)c1c(O)cccc1O

STK802165
Synonyms: N,N-bis(2-hydroxyethyl)glycine
Smiles: OCCN(CC(=O)O)CCO

STK802169
Synonyms: 3,4,5,6-tetrachloropyridine-2-carbonitrile
Smiles: N#Cc1nc(Cl)c(c(c1Cl)Cl)Cl

STK802181
Synonyms: 3,5-dichloro-2,6-dimethylpyridin-4-ol
Smiles: Cc1nc(C)c(c(c1Cl)O)Cl

STK802182
Synonyms: 1,3-diphenylguanidine
Smiles: N=C(Nc1ccccc1)Nc1ccccc1

STK802183
Synonyms: N,N~2~-bis(2,2-dimethylpropanoyl)asparagine
Smiles: O=C(NC(=O)C(C)(C)C)CC(C(=O)O)NC(=O)C(C)(C)C

STK802185
Synonyms: 1-(4-fluorophenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
Smiles: Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1

STK802186
Synonyms: (2E)-3-(phenylsulfanyl)prop-2-enoate
Smiles: [O-]C(=O)/C=C/Sc1ccccc1

STK802187
Synonyms: 2,4,5-trimethoxybenzaldehyde
Smiles: COc1cc(C=O)c(cc1OC)OC

STK802188
Synonyms: 5-methoxy-3,4-dihydronaphthalen-1(2H)-one
Smiles: COc1cccc2c1CCCC2=O

STK802191
Synonyms: N-[4-(chloroacetyl)phenyl]cyclopropanecarboxamide
Smiles: ClCC(=O)c1ccc(cc1)NC(=O)C1CC1

STK802193
Synonyms: [2,5-dioxo-3-(propan-2-yl)imidazolidin-4-yl]aceticacid
Smiles: OC(=O)CC1C(=O)NC(=O)N1C(C)C

STK802194
Synonyms: [3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]aceticacid
Smiles: CC(CN1C(=O)NC(=O)C1CC(=O)O)C

STK802195
Synonyms: (3-benzyl-2,5-dioxoimidazolidin-4-yl)aceticacid
Smiles: OC(=O)CC1C(=O)NC(=O)N1Cc1ccccc1

STK802198
Synonyms: 2-(1-methyl-1H-indol-3-yl)butanedioicacid
Smiles: OC(=O)CC(c1cn(c2c1cccc2)C)C(=O)O

STK802204
Synonyms: 2-chloro-1-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]ethanone
Smiles: ClCC(=O)c1ccc2c(c1)CCN2S(=O)(=O)C

STK802206
Synonyms: 4-methyl-2-(2-propylpyridin-4-yl)-1,3-thiazole-5-carboxylicacid
Smiles: CCCc1nccc(c1)c1nc(c(s1)C(=O)O)C

STK802208
Synonyms: 2-amino-5-chlorobenzonitrile
Smiles: N#Cc1cc(Cl)ccc1N

STK802212
Synonyms: 2-(cyanomethyl)benzonitrile
Smiles: N#CCc1ccccc1C#N

STK802214
Synonyms: benzene-1,2-dicarbaldehyde
Smiles: O=Cc1ccccc1C=O

STK802218
Synonyms: 2-amino-6-chlorobenzonitrile
Smiles: N#Cc1c(N)cccc1Cl

STK802224
Synonyms: 1-(2-fluoro-4-methoxyphenyl)ethanone
Smiles: COc1ccc(c(c1)F)C(=O)C

STK802228
Synonyms: methyl4-chloro-3-(cyanomethyl)benzoate
Smiles: N#CCc1cc(ccc1Cl)C(=O)OC

STK802230
Synonyms: 7-hydroxy-3,4-dihydroquinolin-2(1H)-one
Smiles: Oc1cc2NC(=O)CCc2cc1

STK802231
Synonyms: 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1H)-one
Smiles: BrCCCCOc1ccc2c(c1)NC(=O)CC2

STK802242
Synonyms: pyridine-2,3-diamine
Smiles: Nc1ncccc1N

STK802243
Synonyms: 3-nitropyridin-2-ol
Smiles: [O-][N+](=O)c1cccnc1O

STK802244
Synonyms: 3-aminopyridin-4-ol
Smiles: Nc1cnccc1O

STK802249
Synonyms: 3-bromopyridine
Smiles: Brc1cccnc1

STK802253
Synonyms: 2-oxo-6-phenyl-1,2-dihydropyrimidine-4-carboxylicacid
Smiles: OC(=O)c1cc([nH]c(=O)n1)c1ccccc1

STK802259
Synonyms: 6-(morpholin-4-yl)pyridine-3-carboxylicacid
Smiles: OC(=O)c1ccc(nc1)N1CCOCC1

STK802265
Synonyms: 3-(1,1-dioxido-1,2-thiazinan-2-yl)aniline
Smiles: Nc1cccc(c1)N1CCCCS1(=O)=O

STK802270
Synonyms: (2R,3R)-1-(2-methoxyethyl)-6-oxo-2-phenylpiperidine-3-carboxylicacid
Smiles: COCCN1C(=O)CC[C@H]([C@@H]1c1ccccc1)C(=O)O

STK802271
Synonyms: 4,5-bis(acetyloxy)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid
Smiles: CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O

STK802272
Synonyms: 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethylL-valinate
Smiles: CC([C@@H](C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O)N)C

STK802274
Synonyms: (3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)aceticacid
Smiles: OC(=O)Cn1[nH]c(=O)ccc1=O

STK802275
Synonyms: 6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyrimidine-4-carboxylicacid
Smiles: COc1ccc(cc1)c1cc(nc(=O)[nH]1)C(=O)O

STK802276
Synonyms: 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylicacid
Smiles: O=c1[nH]c2CCCCc2c(n1)C(=O)O

STK802284
Synonyms: (2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)aceticacid
Smiles: OC(=O)CN1C(=O)NC2(C1=O)CCCC2

STK802286
Synonyms: 3-methoxy-2-methylpyridin-4(1H)-one
Smiles: COc1c(C)[nH]ccc1=O

STK802293
Synonyms: 1H-imidazol-1-ol3-oxide
Smiles: [O-][n+]1ccn(c1)O

STK802296
Synonyms: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
Smiles: ClCCCN1CCN(CC1)c1cccc(c1)Cl

STK802298
Synonyms: 3-amino-5,6,7,8-tetrahydronaphthalen-2-ol
Smiles: Nc1cc2CCCCc2cc1O

STK802301
Synonyms: 1,3-bis(hydroxymethyl)thiourea
Smiles: OCNC(=S)NCO

STK802303
Synonyms: 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Smiles: O1CCOCCOc2c(OCCOCC1)cccc2

STK802312
Synonyms: 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine
Smiles: C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)cccc2

STK802322
Synonyms: (3,4-diaminophenyl)(phenyl)methanone
Smiles: O=C(c1ccc(c(c1)N)N)c1ccccc1

STK802326
Synonyms: furo[3,4-b]pyridine-5,7-dione
Smiles: O=C1OC(=O)c2c1nccc2

STK802333
Synonyms: 2,2-dimethoxy-N-methylethanamine
Smiles: CNCC(OC)OC

STK802335
Synonyms: dimethylmethoxypropanedioate
Smiles: COC(C(=O)OC)C(=O)OC

STK802339
Synonyms: 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
Smiles: Fc1ccc(cc1)C1=CCNCC1

STK802340
Synonyms: 3-hydroxypyridine-2-carboxamide
Smiles: NC(=O)c1ncccc1O

STK802343
Synonyms: 1-(3-hydroxyphenyl)urea
Smiles: NC(=O)Nc1cccc(c1)O

STK802346
Synonyms: 4-sulfamoylbenzoicacid
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N

STK802349
Synonyms: hexadecan-1-amine
Smiles: CCCCCCCCCCCCCCCCN

STK802352
Synonyms: N-(2-aminoethyl)ethane-1,2-diamine
Smiles: NCCNCCN

STK802355
Synonyms: diethyl2-acetylpentanedioate
Smiles: CCOC(=O)CCC(C(=O)OCC)C(=O)C

STK802361
Synonyms: (2Z)-furan-2-yl(methoxyimino)ethanoicacid
Smiles: CO/N=C(/c1ccco1)\C(=O)O

STK802362
Synonyms: amino(imino)methanesulfinicacid
Smiles: NC(=N)S(=O)O

STK802368
Synonyms: 5-chloro-1-phenyl-1H-tetrazole
Smiles: Clc1nnnn1c1ccccc1

STK802376
Synonyms: imidoformamide
Smiles: NC=N

STK802377
Synonyms: 6-(2-amino-1,3-thiazol-4-yl)-2H-1,4-benzoxazin-3(4H)-one
Smiles: O=C1COc2c(N1)cc(cc2)c1csc(n1)N

STK802378
Synonyms: 8-fluoro-4-hydroxyquinoline-3-carboxylicacid
Smiles: OC(=O)c1cnc2c(c1O)cccc2F

STK802379
Synonyms: 6-fluoro-4-hydroxyquinoline-3-carboxylicacid
Smiles: Fc1ccc2c(c1)c(O)c(cn2)C(=O)O

STK802380
Synonyms: 6-(3-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylicacid
Smiles: Clc1cccc(c1)c1ccc(c(=O)[nH]1)C(=O)O

STK802383
Synonyms: 6-amino-1-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)CCn1c(N)cc(=O)[nH]c1=O

STK802384
Synonyms: methyl1H-pyrrolo[2,3-b]pyridin-1-ylacetate
Smiles: COC(=O)Cn1ccc2c1nccc2

STK802389
Synonyms: 1-(diphenylmethyl)-5-oxopyrrolidine-3-carboxylicacid
Smiles: OC(=O)C1CN(C(=O)C1)C(c1ccccc1)c1ccccc1

STK802391
Synonyms: 2-methoxy-4-methyl-1,3-thiazole-5-carboxylicacid
Smiles: COc1nc(c(s1)C(=O)O)C

STK802392
Synonyms: 1-benzyl-1H-indole-6-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)n(cc2)Cc1ccccc1

STK802398
Synonyms: 3-oxo-2,3-dihydro-1H-pyrazolo[4,3-c]quinoline-8-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)c1[nH][nH]c(=O)c1cn2

STK802399
Synonyms: 3-[3,5-dimethyl-4-(2-methylprop-2-en-1-yl)-1H-pyrazol-1-yl]propanoicacid
Smiles: CC(=C)Cc1c(C)nn(c1C)CCC(=O)O

STK802400
Synonyms: 4-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylicacid
Smiles: OC(=O)c1[nH][nH]c(=O)c1C

STK802403
Synonyms: 3-(2-fluoro-4-methoxyphenyl)thiomorpholine
Smiles: COc1ccc(c(c1)F)C1CSCCN1

STK802407
Synonyms: 3-(morpholin-4-ylmethyl)-1H-indole-4-carboxylicacid
Smiles: OC(=O)c1cccc2c1c(c[nH]2)CN1CCOCC1

STK802408
Synonyms: 3-(pyrrolidin-1-ylmethyl)-1H-indole-6-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)[nH]cc2CN1CCCC1

STK802409
Synonyms: 3-[3-(1H-indol-4-yl)-1,2,4-oxadiazol-5-yl]propanoicacid
Smiles: OC(=O)CCc1onc(n1)c1cccc2c1cc[nH]2

STK802411
Synonyms: 4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoicacid
Smiles: COc1cc(n2cccc2)c(cc1OC)C(=O)O

STK802412
Synonyms: (3-oxopiperazin-1-yl)aceticacid
Smiles: OC(=O)CN1CCNC(=O)C1

STK802414
Synonyms: [(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]aceticacid
Smiles: OC(=O)COc1ccc2c(c1)NC(=O)CC2

STK802416
Synonyms: N~2~-methyl-N-pyridin-3-ylglycinamide
Smiles: CNCC(=O)Nc1cccnc1

STK802417
Synonyms: 2-(piperazin-1-yl)-N-(pyridin-3-yl)acetamide
Smiles: O=C(Nc1cccnc1)CN1CCNCC1

STK802418
Synonyms: 2-(1,3-benzodioxol-5-yloxy)-4-methyl-1,3-thiazole-5-carboxylicacid
Smiles: OC(=O)c1sc(nc1C)Oc1ccc2c(c1)OCO2

STK802419
Synonyms: (2S)-2,3-dihydro-1H-indole-2-carboxamide
Smiles: NC(=O)[C@@H]1Cc2c(N1)cccc2

STK802422
Synonyms: (2S)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
Smiles: CNC(=O)[C@@H]1Cc2c(N1)cccc2

STK802423
Synonyms: (8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(oxo)aceticacid
Smiles: OC(=O)C(=O)N1Cc2c(CC1)[nH]c1c2cc(F)cc1

STK802424
Synonyms: 3-(6-amino[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoicacid
Smiles: OC(=O)CCc1nnc2n1nc(N)cc2

STK802426
Synonyms: 2-{[(2-aminoethyl)sulfanyl]methyl}-6,7-dimethoxyquinazolin-4(3H)-one
Smiles: NCCSCc1nc2cc(OC)c(cc2c(=O)[nH]1)OC

STK802427
Synonyms: 2-(1H-tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: OC(=O)c1c(sc2c1CCCC2)n1cnnn1

STK802433
Synonyms: (2E)-3-(dimethylamino)-2-(pyridin-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/N(C)C)/c1ccccn1

STK802434
Synonyms: 3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoicacid
Smiles: Cc1nc2sc(c(c2c(=O)n1CCC(=O)O)C)C

STK802436
Synonyms: 1-(5-fluoro-1H-benzimidazol-2-yl)methanamine
Smiles: NCc1nc2c([nH]1)ccc(c2)F

STK802437
Synonyms: 3-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylicacid
Smiles: Clc1cccc(c1)c1nn(c(c1)C(=O)O)C

STK802439
Synonyms: 3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylicacid
Smiles: COc1ccccc1c1nn(c(c1)C(=O)O)C

STK802440
Synonyms: 1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylicacid
Smiles: CC(Cc1cc(n(n1)C)C(=O)O)C

STK802441
Synonyms: 5-oxo-4-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylicacid
Smiles: OC(=O)c1[nH][nH]c(=O)c1c1ccccc1

STK802443
Synonyms: 3-hydroxy-1-(4H-1,2,4-triazol-4-yl)-1,4,5,6-tetrahydro-2H-indol-2-one
Smiles: O=C1N(n2cnnc2)C2=CCCCC2=C1O

STK802445
Synonyms: (5-bromo-2-ethyl-1H-imidazol-4-yl)(hydroxy)oxoammonium
Smiles: CCc1[nH]c(c(n1)[N+](=O)O)Br

STK802446
Synonyms: 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Smiles: Clc1ccc2c(c1)c1CNCCc1[nH]2

STK802447
Synonyms: 7-chloro-4-hydroxyquinoline-3-carboxylicacid
Smiles: Clc1ccc2c(c1)ncc(c2O)C(=O)O

STK802449
Synonyms: ethylnitroacetate
Smiles: [O-][N+](=O)CC(=O)OCC

STK802451
Synonyms: (3,5-difluorophenyl)hydrazine
Smiles: NNc1cc(F)cc(c1)F

STK802452
Synonyms: 2-amino-3,4-dimethylbenzoicacid
Smiles: OC(=O)c1ccc(c(c1N)C)C

STK802456
Synonyms: methylhydrazinyl(oxo)acetate
Smiles: NNC(=O)C(=O)OC

STK802457
Synonyms: 7-amino-2H-1,4-benzoxazin-3(4H)-one
Smiles: O=C1COc2c(N1)ccc(c2)N

STK802458
Synonyms: 2-(pyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
Smiles: OC(=O)C1Cc2ccccc2CN1c1ncccn1

STK802459
Synonyms: cyclopentane-1,3-dione
Smiles: O=C1CCC(=O)C1

STK802460
Synonyms: N~5~-carbamoylornithine
Smiles: NC(=O)NCCCC(C(=O)O)N

STK928022
Synonyms: 5-methyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylicacid
Smiles: OC(=O)c1cnn(c1C)c1ccc(cc1)OC(F)(F)F

STK928024
Synonyms: 4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1ccc(cc1O)C1CC(=Nc2c1c(C)nn2c1ccc2n(n1)cnn2)O

STK928029
Synonyms: 5-oxo-5-(3-oxopiperazin-1-yl)-N-[(2E)-1,3,4-thiadiazol-2(3H)-ylidene]pentanamide
Smiles: O=C1NCCN(C1)C(=O)CCCC(=O)/N=c\1/scn[nH]1

STK928031
Synonyms: N-[4-(acetylamino)phenyl]-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)C1c2ccccc2C(=O)N(C1c1ccccc1)C

STK928032
Synonyms: 5-(benzyloxy)-N-cyclooctyl-4-oxo-4H-pyran-2-carboxamide
Smiles: O=C(c1occ(c(=O)c1)OCc1ccccc1)NC1CCCCCCC1

STK928034
Synonyms: N-(2,5-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
Smiles: COc1ccc(c(c1)Nc1ncnc2c1cc(OC)c(c2)OC)OC

STK928036
Synonyms: 3-(3-fluorophenyl)-7-(thiophen-2-yl)-6,7-dihydro-3H-imidazo[4,5-b]pyridin-5-ol
Smiles: Fc1cccc(c1)n1cnc2c1N=C(O)CC2c1cccs1

STK928037
Synonyms: N-(3,4-dimethoxybenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
Smiles: COc1cc(CNC(=O)c2snnc2C)ccc1OC

STK928042
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[6-(trifluoromethyl)pyridin-3-yl]ethanediamide
Smiles: COc1ccc(cc1OC)CCNC(=O)C(=O)Nc1ccc(nc1)C(F)(F)F

STK928043
Synonyms: 3-benzyl-5-[(5-bromopyrimidin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: Brc1cnc(nc1)NC1(N=C(N(C1=O)Cc1ccccc1)c1ccccc1)C(F)(F)F

STK928045
Synonyms: methylN-({5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-yl}carbonyl)-L-alaninate
Smiles: COC(=O)[C@@H](NC(=O)c1ccc(o1)Cn1cnc2c(c1=O)cccc2)C

STK928046
Synonyms: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-[6-(trifluoromethyl)pyridin-3-yl]ethanediamide
Smiles: CN(C(c1ccco1)CNC(=O)C(=O)Nc1ccc(nc1)C(F)(F)F)C

STK928047
Synonyms: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamide
Smiles: O=C(Nc1nc(c(s1)C)C)CSCc1nc(O)c2c(n1)sc(c2C)C

STK928051
Synonyms: methyl[3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl]acetate
Smiles: COC(=O)Cn1nc(ccc1=O)c1ccco1

STK928052
Synonyms: 5-bromo-N-(2-methyl-1H-benzimidazol-5-yl)furan-2-carboxamide
Smiles: Brc1ccc(o1)C(=O)Nc1ccc2c(c1)nc([nH]2)C

STK928054
Synonyms: 5-(benzyloxy)-4-oxo-N-(1,3-thiazol-2-yl)-4H-pyran-2-carboxamide
Smiles: O=c1cc(occ1OCc1ccccc1)C(=O)Nc1nccs1

STK928057
Synonyms: tert-butyl[2-({[(3-hydroxyphenyl)amino](oxo)acetyl}amino)ethyl]carbamate
Smiles: O=C(OC(C)(C)C)NCCNC(=O)C(=O)Nc1cccc(c1)O

STK928060
Synonyms: N-[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]benzamide
Smiles: COc1cc(ccc1n1cnnn1)NC(=O)c1ccccc1

STK928061
Synonyms: 2-(3,3-dimethyl-2-oxobutyl)-6-[4-(methylsulfanyl)phenyl]pyridazin-3(2H)-one
Smiles: CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)C(C)(C)C

STK928063
Synonyms: N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
Smiles: O=C(Cc1c(C)noc1C)Nc1ccc(cc1Cl)Cl

STK928067
Synonyms: 2-[3-(methylsulfanyl)-5-oxo-7,8-dihydro-5H-cyclopenta[4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-1(6H)-yl]acetamide
Smiles: CSc1nn(c2n1c(=O)c1c(n2)sc2c1CCC2)CC(=O)N

STK928072
Synonyms: 5-(dimethylamino)-2-[5-methyl-4-(morpholin-4-ylsulfonyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1N(C)C)c1oc(c(c1)S(=O)(=O)N1CCOCC1)C

STK928074
Synonyms: ethyl4-{[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CCCn1sc2c(c1=O)cccc2

STK928076
Synonyms: 3-(5-methoxy-1H-indol-1-yl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: COCc1n[nH]/c(=N\C(=O)CCn2ccc3c2ccc(c3)OC)/s1

STK928077
Synonyms: 2-[(2-methoxyethyl)amino]-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
Smiles: COCCNc1nc(c(s1)C(=O)NCC(C)C)C

STK928086
Synonyms: 4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2[nH]nc(c2C(SC1)c1ccc(o1)c1ccccc1Cl)C

STK928090
Synonyms: (E)-N~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-N-(4-methyl-1,3-thiazol-2(3H)-ylidene)-L-leucinamide
Smiles: CC(C[C@@H](C(=O)/N=c\1/scc([nH]1)C)NC(=O)NC1CCS(=O)(=O)C1)C

STK928093
Synonyms: N-(3-bromophenyl)-2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]acetamide
Smiles: O=C(Nc1cccc(c1)Br)COc1c(C)occc1=O

STK928095
Synonyms: trans-N-(3-chlorobenzyl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
Smiles: O=C(C1CC[C@H](CC1)Cn1cnnn1)NCc1cccc(c1)Cl

STK928097
Synonyms: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-4H-furo[3,2-b]pyrrole-5-carboxamide
Smiles: NC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc2c(n1C)cco2

STK928101
Synonyms: 2-[3-(4-benzylpiperazin-1-yl)-6-oxopyridazin-1(6H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Smiles: O=C(Cn1nc(ccc1=O)N1CCN(CC1)Cc1ccccc1)NCCC1=CCCCC1

STK928102
Synonyms: 2-(benzylamino)-N-(4-methoxybenzyl)-1,3-thiazole-4-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1csc(n1)NCc1ccccc1

STK928107
Synonyms: 2-[(2,6-difluorobenzyl)sulfanyl]-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
Smiles: Oc1cc(O)c2c(n1)c(C(=O)N)c(s2)SCc1c(F)cccc1F

STK928111
Synonyms: 6-ethyl-5-methyl-2-(pyridin-4-yl)thieno[2,3-b]pyridin-3-amine
Smiles: CCc1nc2sc(c(c2cc1C)N)c1ccncc1

STK928115
Synonyms: trans-4-{[(1H-indol-1-ylacetyl)amino]methyl}cyclohexanecarboxylicacid
Smiles: O=C(Cn1ccc2c1cccc2)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK928117
Synonyms: N-[4-(propan-2-yloxy)benzyl]glycine
Smiles: CC(Oc1ccc(cc1)CNCC(=O)O)C

STK928118
Synonyms: 3-{[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino}-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Smiles: OC[C@H](NC1=C(C(=O)C1=O)N1CCN(CC1)C)Cc1ccccc1

STK928122
Synonyms: methyl2-{[(3-hydroxy-2-methyl-2H-1,4-benzoxazin-2-yl)carbonyl]amino}-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)C1(C)Oc2ccccc2N=C1O)OC

STK928124
Synonyms: N,N-dibenzyl-2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamide
Smiles: COc1c(OC)ccc2c1c(=O)n(nc2)CC(=O)N(Cc1ccccc1)Cc1ccccc1

STK928126
Synonyms: N-cyclohexyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccc(cc1)n1cccn1)NC1CCCCC1

STK928129
Synonyms: 4-hydroxy-N-{3-[methyl(naphthalen-1-ylcarbonyl)amino]propyl}quinazoline-2-carboxamide
Smiles: O=C(c1nc(O)c2c(n1)cccc2)NCCCN(C(=O)c1cccc2c1cccc2)C

STK928131
Synonyms: 2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]-N-(1H-indol-5-yl)acetamide
Smiles: O=C(Cn1nc(ccc1=O)n1nc(cc1C)C)Nc1ccc2c(c1)cc[nH]2

STK928138
Synonyms: N-(4-bromophenyl)-2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1)Br)COc1c(=O)ccoc1C

STK928140
Synonyms: trans-4-[({[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl}amino)methyl]cyclohexanecarboxylicacid
Smiles: COc1c(OC)cccc1c1scc(n1)CC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O

STK928146
Synonyms: 4-amino-1-(2-chlorobenzyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
Smiles: Clc1ccccc1Cn1c(=O)nc(c2c1sc1c2CC(OC1)(C)C)N

STK928150
Synonyms: N-(pyridin-2-ylmethyl)-2-(1H-tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Smiles: O=C(c1c(sc2c1CCC2)n1cnnn1)NCc1ccccn1

STK928155
Synonyms: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N'-(6-methoxypyridin-3-yl)ethanediamide
Smiles: COc1ccc(cn1)NC(=O)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2

STK928156
Synonyms: [5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]aceticacid
Smiles: COc1ccc(cc1)c1[nH]nc(c1CC(=O)O)C

STK928163
Synonyms: 5-(benzyloxy)-4-oxo-N-[(2Z)-5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-4H-pyran-2-carboxamide
Smiles: O=C(c1occ(c(=O)c1)OCc1ccccc1)/N=c\1/[nH]nc(s1)C1CCCO1

STK928164
Synonyms: [3,4-dimethyl-2-(1H-tetrazol-1-yl)phenyl][4-(3-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(c(c1n1cnnn1)C)C

STK928166
Synonyms: 2-[5-methyl-4-(morpholin-4-ylsulfonyl)furan-2-yl]-5-(propan-2-ylamino)-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NC(C)C)c1oc(c(c1)S(=O)(=O)N1CCOCC1)C

STK928170
Synonyms: N-benzyl-N-methyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1(6H)-yl]acetamide
Smiles: CN(C(=O)Cn1nc(ccc1=O)N1CCN(CC1)c1ccccc1)Cc1ccccc1

STK928171
Synonyms: 2-(6-fluoro-1H-indol-1-yl)-N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(Cc1n[nH]/c(=N\C(=O)Cn2ccc3c2cc(F)cc3)/s1)C

STK928174
Synonyms: 3-methyl-N-(pyridin-2-yl)-6,7-dihydro-5H-cyclopenta[b][1,2]oxazolo[4,5-e]pyridine-4-carboxamide
Smiles: O=C(c1c2CCCc2nc2c1c(C)no2)Nc1ccccn1

STK928178
Synonyms: N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-6-(3-oxo-1,2-benzothiazol-2(3H)-yl)hexanamide
Smiles: O=C(/N=c/1\scc([nH]1)C)CCCCCn1sc2c(c1=O)cccc2

STK928179
Synonyms: 2-[5-methyl-4-(morpholin-4-ylsulfonyl)furan-2-yl]-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCc1ccccc1)c1oc(c(c1)S(=O)(=O)N1CCOCC1)C

STK928183
Synonyms: ethyl6-chloro[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylate
Smiles: CCOC(=O)c1nnc2n1nc(Cl)cc2

STK928186
Synonyms: 1-{3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl}methanamine
Smiles: COc1ccc(cc1)OCc1noc(n1)CN

STK928187
Synonyms: 3-(3-chloro-1H-1,2,4-triazol-5-yl)pyridine
Smiles: Clc1n[nH]c(n1)c1cccnc1

STK928189
Synonyms: [1-({[(2-methyl-1H-indol-1-yl)acetyl]amino}methyl)cyclohexyl]aceticacid
Smiles: O=C(Cn1c(C)cc2c1cccc2)NCC1(CCCCC1)CC(=O)O

STK928190
Synonyms: N-{2-[4-(azepan-1-ylcarbonyl)-3-hydroxy-1-methyl-1H-pyrrol-2-yl]-1-methyl-1H-benzimidazol-5-yl}cyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1ccc2c(c1)nc(n2C)c1n(C)cc(c1O)C(=O)N1CCCCCC1

STK928191
Synonyms: N-[(6-oxo-3-phenylpyridazin-1(6H)-yl)acetyl]-L-phenylalanine
Smiles: O=C(Cn1nc(ccc1=O)c1ccccc1)N[C@H](C(=O)O)Cc1ccccc1

STK928192
Synonyms: 1-[(6-cyclopropyl-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl)carbonyl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1cc(nc2c1c(C)no2)C1CC1

STK928193
Synonyms: 1-{3-[5-(benzyloxy)-1H-indol-1-yl]propanoyl}piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)C(=O)CCn1ccc2c1ccc(c2)OCc1ccccc1

STK928194
Synonyms: N,4-dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
Smiles: CNC(=O)c1cc2c(n1C)ccs2

STK928197
Synonyms: ethyl(2E)-2-({[3-(2-fluorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)Cn2nc(ccc2=O)c2ccccc2F)/[nH]c1C

STK928200
Synonyms: 3-[(morpholin-4-ylcarbonyl)amino]benzoicacid
Smiles: O=C(N1CCOCC1)Nc1cccc(c1)C(=O)O

STK928201
Synonyms: N-(2-methoxypyridin-3-yl)-N'-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]ethanediamide
Smiles: COc1ncccc1NC(=O)C(=O)NCCc1c(C)nn(c1C)C

STK928205
Synonyms: N-{[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbonyl}-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)c1sc(nc1C)c1ccc(cc1)F

STK928206
Synonyms: 4-(4-chlorobenzyl)-N-(4-sulfamoylphenyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
Smiles: Clc1ccc(cc1)Cn1c(cc2c1cco2)C(=O)Nc1ccc(cc1)S(=O)(=O)N

STK928207
Synonyms: N-(1H-indol-6-yl)-2-[(tetrahydrofuran-2-ylmethyl)amino]-1,3-thiazole-4-carboxamide
Smiles: O=C(c1csc(n1)NCC1CCCO1)Nc1ccc2c(c1)[nH]cc2

STK928214
Synonyms: 4-hydroxy-N-{3-[methyl(trichloroacetyl)amino]propyl}quinazoline-2-carboxamide
Smiles: CN(C(=O)C(Cl)(Cl)Cl)CCCNC(=O)c1nc(O)c2c(n1)cccc2

STK928215
Synonyms: N-(2-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Smiles: O=C(c1ccc2c(c1)OCCCO2)NCCSCc1nc(O)c2c(n1)sc(c2C)C

STK928216
Synonyms: ethyl4-{[(3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1sc2c(c1=O)cccc2

STK928219
Synonyms: N-{4-[(1-methyl-1H-imidazol-2-yl)carbonyl]phenyl}-N'-[3-(4-methylpiperazin-1-yl)propyl]ethanediamide
Smiles: CN1CCN(CC1)CCCNC(=O)C(=O)Nc1ccc(cc1)C(=O)c1nccn1C

STK928221
Synonyms: 2-[(2,4-dichlorophenyl)amino]-5-(pyridin-2-yl)pyrido[2,3-d]pyrimidin-4-ol
Smiles: Clc1ccc(c(c1)Cl)Nc1nc(O)c2c(n1)nccc2c1ccccn1

STK928222
Synonyms: 3-(benzylamino)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
Smiles: CN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccccc1

STK928224
Synonyms: 2-[(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
Smiles: CC(CNc1scc(n1)C(=O)Nc1nccs1)C

STK928225
Synonyms: 5-hydroxy-1,7-diphenyl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylicacid
Smiles: OC1=Nc2c(C(C1)c1ccccc1)n(cc2C(=O)O)c1ccccc1