FULL DB

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

STK529340
Synonyms: 2-(cyclohexylamino)-3-[methyl(nitroso)amino]naphthalene-1,4-dione
Smiles: O=NN(C1=C(NC2CCCCC2)C(=O)c2c(C1=O)cccc2)C

STK529341
Synonyms: 2-(2,4-dichlorophenyl)-N-(naphthalen-1-yl)quinazolin-4-amine
Smiles: Clc1ccc(c(c1)Cl)c1nc2ccccc2c(n1)Nc1cccc2c1cccc2

STK529344
Synonyms: 4-({4-[(diphenylacetyl)amino]butanoyl}amino)butanoicacid
Smiles: O=C(NCCCC(=O)O)CCCNC(=O)C(c1ccccc1)c1ccccc1

STK529348
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1cccc(c1)Br

STK834792
Synonyms: 3,3'-(2,4,6-trioxo-1,3,5-triazinane-1,3-diyl)dipropanenitrile
Smiles: N#CCCn1c(=O)[nH]c(=O)n(c1=O)CCC#N

STK529353
Synonyms: N-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]pentanamide
Smiles: CCCCC(=O)N/C=C/1\C(=O)c2c(C1=O)cccc2

STK529354
Synonyms: (2Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-iodophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)I)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834793
Synonyms: 8-(benzylsulfanyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK834794
Synonyms: (2E)-3-[(2,4-dimethylphenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1C)C)/C#N

STK529356
Synonyms: 8-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK529357
Synonyms: 9-(1-butoxyethyl)-9H-carbazole
Smiles: CCCCOC(n1c2ccccc2c2c1cccc2)C

STK529361
Synonyms: chloro(dimorpholin-4-ylphosphoryl)acetaldehyde
Smiles: O=CC(P(=O)(N1CCOCC1)N1CCOCC1)Cl

STK834795
Synonyms: 3,3'-[benzene-1,4-diylbis(oxy)]bis[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol]
Smiles: OC(Cn1nc(cc1C)C)COc1ccc(cc1)OCC(Cn1nc(cc1C)C)O

STK529363
Synonyms: N'-benzyl-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N'-phenylacetohydrazide
Smiles: O=C(NN(c1ccccc1)Cc1ccccc1)CN1CCN(CC1)C(=O)c1ccco1

STK834797
Synonyms: 2-(furan-2-yl)hexahydro-1H-benzimidazole-1,3(2H)-diol
Smiles: ON1C2CCCCC2N(C1c1ccco1)O

STK529367
Synonyms: 5-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-oxo-4-(pyridinium-1-yl)-1,3-thiazol-3-ide
Smiles: NC(=S)N/N=C/c1sc(=O)[n-]c1[n+]1ccccc1

STK834798
Synonyms: 2,4-bis(2,4-dimethoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Smiles: COc1ccc(c(c1)OC)C1Nc2ccccc2NC(C1)(C)c1ccc(cc1OC)OC

STK529369
Synonyms: 3-(cyclopropylcarbonyl)-2-(2-methoxyphenyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile
Smiles: N#CC1=CN2C(C=C1)C(C(C2C(=O)C1CC1)c1ccccc1OC)(C#N)C#N

STK529370
Synonyms: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-methylphenyl)benzenesulfonamide
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccccc1C)C

STK834799
Synonyms: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-methoxyphenyl)amino]prop-2-enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OC)\C#N

STK834800
Synonyms: 3-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]propan-1-ol
Smiles: OCCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK529374
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C\Nc1cccc(c1Cl)Cl)/C#N

STK529377
Synonyms: N'-benzyl-2-[4-(diphenylmethyl)piperazin-1-yl]-N'-phenylacetohydrazide
Smiles: O=C(NN(c1ccccc1)Cc1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK834806
Synonyms: 8-(ethylsulfanyl)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK529382
Synonyms: (2Z)-3-[(2,4-dichlorophenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1ccc(cc1)OC

STK529383
Synonyms: diprop-2-en-1-yl(4-chlorobenzene-1,2-diyl)biscarbamate
Smiles: C=CCOC(=O)Nc1cc(Cl)ccc1NC(=O)OCC=C

STK529384
Synonyms: (1E,4E)-1,5-bis[4-(pentyloxy)phenyl]penta-1,4-dien-3-one
Smiles: CCCCCOc1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)OCCCCC

STK529388
Synonyms: 1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(cc1)Br)O

STK834809
Synonyms: 8-[(2-hydroxyethyl)amino]-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCNc1nc2c(n1CC(COc1ccc(cc1)[N+](=O)[O-])O)c(=O)[nH]c(=O)n2C

STK529390
Synonyms: 2-{[(dimethoxyphosphoryl)(phenyl)methyl]amino}benzoicacid
Smiles: COP(=O)(C(c1ccccc1)Nc1ccccc1C(=O)O)OC

STK834810
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-[(2-methoxyphenyl)amino]propan-2-ol
Smiles: COc1ccccc1NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O

STK834811
Synonyms: N-[4-(2,2-dicyanoethenyl)phenyl]acetamide
Smiles: N#CC(=Cc1ccc(cc1)NC(=O)C)C#N

STK834812
Synonyms: 2-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenol
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1ccccc1O

STK529397
Synonyms: 1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione
Smiles: O=c1[nH]c2c([nH]1)c1c(cc2)c(=O)c2c(c1=O)cccc2

STK834813
Synonyms: (2E)-3-[(4-methoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK529399
Synonyms: 8-methyl-4-(3-methylpiperidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: CC1CCCN(C1)c1ncnc2c1[nH]c1c2cc(cc1)C

STK834814
Synonyms: 2-(2-chlorophenyl)-N,N-diethylquinazolin-4-amine
Smiles: CCN(c1nc(nc2c1cccc2)c1ccccc1Cl)CC

STK834815
Synonyms: ethyl5-cyano-6-(ethylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SCC

STK529401
Synonyms: 7-amino-9-[(2-oxo-2-phenylethyl)sulfanyl]-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C21CCCC2)C#N)N

STK529404
Synonyms: 4-(3,5-dimethylpyridinium-1-yl)-5-[(E)-{2-[(2-hydroxyphenyl)carbonyl]hydrazinylidene}methyl]-2-oxo-1,3-thiazol-3-ide
Smiles: Cc1cc(C)c[n+](c1)c1[n-]c(=O)sc1/C=N/NC(=O)c1ccccc1O

STK834819
Synonyms: 1-(3,6-dichloro-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)Cn1nc(cc1C)C

STK529406
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-ethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK834821
Synonyms: N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-4,6-diphenylpyrimidine-2-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nc(cc(n2)c2ccccc2)c2ccccc2)ccc1OC

STK529408
Synonyms: 2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazo[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)c1cn2c(n1CCN1CCCC1)nc1c2cccc1

STK834822
Synonyms: (2E)-3-[(3,5-dimethylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529413
Synonyms:
Smiles: O=C(NC1CCCCC1)NNC(=O)C1[C@@H]2[C@H]1CCCC2

STK529414
Synonyms: 2,6-dimethyl-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridine
Smiles: Cc1cc(cc(n1)C)C12CC3CC(C2)CC(C1)C3

STK529416
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-ethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834824
Synonyms: (2E)-3-[(2-fluorophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1ccc(cc1)C

STK529420
Synonyms: 4-methoxy-N'-[(3E)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C/1\c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1

STK529421
Synonyms: 8-[bis(2-hydroxyethyl)amino]-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(CCO)CCO

STK529422
Synonyms: 1-(1H-pyrazol-3-ylmethyl)cyclohexanol
Smiles: OC1(CCCCC1)Cc1cc[nH]n1

STK834827
Synonyms: 3-[3-(phenylamino)propanoyl]-1,3-benzoxazol-2(3H)-one
Smiles: O=C(n1c(=O)oc2c1cccc2)CCNc1ccccc1

STK529426
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1C)C

STK834828
Synonyms: (5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-3-(3-methoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COCCCN1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2)Cl)/C1=O

STK834829
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1cc2ccccc2oc1=O

STK529430
Synonyms: {[3-(2,4-dichlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}aceticacid
Smiles: OC(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1Cl)Cl)C(F)(F)F

STK529433
Synonyms: 6-(chloromethyl)[1,3]thiazolo[3,2-b][1,2,4]triazole
Smiles: ClCc1csc2n1ncn2

STK529434
Synonyms: 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
Smiles: COc1ccc2c(c1)c(c[nH]2)C(CN1CCN(CC1)c1ccc(cc1)F)O

STK834836
Synonyms: 4,4-dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol1-oxide
Smiles: COC1(OC)C(O)CCc2c1no[n+]2[O-]

STK834837
Synonyms: 5-acetyl-6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: CC(=O)c1c(O)n(C)c(=S)n(c1=O)C

STK529437
Synonyms: (2E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cccc(c1)Br)\C#N

STK834838
Synonyms: 1-(9H-carbazol-9-yl)-3-[(3-methylphenyl)amino]propan-2-ol
Smiles: Cc1cccc(c1)NCC(Cn1c2ccccc2c2c1cccc2)O

STK834840
Synonyms: 4-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)morpholine
Smiles: [O-][N+](=O)c1nc(n(c1N1CCOCC1)Cc1ccccc1)C

STK834848
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(2-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1ccccc1C

STK529453
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)cc(c1)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529456
Synonyms: {4-[2-(2,6-dimethoxyphenoxy)ethyl]piperazin-1-yl}(furan-2-yl)methanone
Smiles: COc1cccc(c1OCCN1CCN(CC1)C(=O)c1ccco1)OC

STK529457
Synonyms: (2Z)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(4-ethylphenyl)amino]prop-2-enenitrile
Smiles: CCc1ccc(cc1)N/C=C(\c1scc(n1)c1ccc(cc1)c1ccccc1)/C#N

STK529458
Synonyms: 1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
Smiles: Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(Cn1nc(c(c1C)Br)C)O

STK834854
Synonyms: (2Z)-2-[1-(7-hydroxy-2-oxo-2H-chromen-3-yl)ethylidene]hydrazinecarbothioamide
Smiles: NC(=S)N/N=C(\c1cc2ccc(cc2oc1=O)O)/C

STK834855
Synonyms: 3-[8-(benzylamino)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
Smiles: N#CCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK529471
Synonyms: 1-(1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STK529472
Synonyms: methyl1-(2,3-dimethoxybenzyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Smiles: COC(=O)c1cc(n(c1C)Cc1cccc(c1OC)OC)c1ccccc1

STK529473
Synonyms: 5,6a,7,10,10a,12-hexahydro-7,10-methanodibenzo[b,f][1,4]diazocine-6,11-dione
Smiles: O=C1Nc2ccccc2NC(=O)C2C1C1C=CC2C1

STK834858
Synonyms: 4-(2-propyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-amine
Smiles: CCCC1OCCC(C1)c1csc(n1)N

STK834860
Synonyms: ethyl4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(O)c2ccccc2n(c1=O)C

STK834862
Synonyms: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1ccccc1OC)C

STK529476
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(c(c1)Cl)Cl)\C#N

STK529477
Synonyms: 1,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: O=C1NC2C(N1C)N(C(=O)N2)C

STK529480
Synonyms: 3-imino-5,7-dimethyloctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
Smiles: N=C1NNC2C(N1)N(C)C(=O)N2C

STK529482
Synonyms: 7-ethyl-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)C

STK529483
Synonyms: 1-(2-phenyl-2,3-dihydro-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl)ethanone
Smiles: CC(=O)n1c2nc3=NC(Cn3nc2c2c1cccc2)c1ccccc1

STK834867
Synonyms: 4-hydroxy-N-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: CC(CNC(=O)c1c(=O)[nH]c2c(c1O)cccc2)C

STK529484
Synonyms: methyl3-{[(3-methylpiperidin-1-yl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C1)C)cccc2

STK529490
Synonyms: (2E)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-3-{[4-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C(C)C)/c1scc(n1)c1ccc(cc1)CC(C)C

STK834871
Synonyms: 3-[3-(3,6-dibromo-9H-carbazol-9-yl)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
Smiles: Brc1ccc2c(c1)c1cc(Br)ccc1n2CC(CN1C(=O)CSC1=O)O

STK834874
Synonyms: (5Z)-1-methyl-5-[(2-methyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)NC(=O)/C(=C/c2c(C)[nH]c3c2cccc3)/C1=O

STK834875
Synonyms: 8-(azepan-1-yl)-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)COC(C)C

STK834876
Synonyms: 1-[3-(4-chlorophenyl)oxiran-2-yl]-2,2-dimethylpropan-1-one
Smiles: O=C(C(C)(C)C)C1OC1c1ccc(cc1)Cl

STK529500
Synonyms: ethyl2-{4-[(chloroacetyl)amino]-3-methylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)C)NC(=O)CCl)O

STK529501
Synonyms: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK529503
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C#N

STK834878
Synonyms: [1,2,3]thiadiazolo[4,5-e][2,1,3]benzoxadiazol-4-ol
Smiles: Oc1cc2snnc2c2c1non2

STK529504
Synonyms: 2-(8-ethyl-8-methyl-3-oxohexahydro-7H-[1,3]thiazolo[3,2-a]pyrazin-7-yl)acetohydrazide
Smiles: NNC(=O)CN1CCN2C(C1(C)CC)SCC2=O

STK834883
Synonyms: 8-amino-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK834885
Synonyms: 4-[(4-methoxyphenyl)amino]-6-methyl-2-(trifluoromethyl)pyrimidine-5-carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)OC)nc(nc1C)C(F)(F)F

STK834886
Synonyms: 1-[(4-bromophenyl)amino]-3-(9H-carbazol-9-yl)propan-2-ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1ccc(cc1)Br

STK529507
Synonyms: methyl4-[bis(2,6-dioxo-4-phenylcyclohexyl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccccc1)C1C(=O)CC(CC1=O)c1ccccc1

STK529508
Synonyms: N'-[(3E)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]pyridine-3-carbohydrazide
Smiles: O=C(c1cccnc1)N/N=C\1/C(=O)N(c2c1cccc2)CN1CCCCC1c1cccnc1

STK529509
Synonyms: (2Z)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(4-ethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(c(c1)C)C

STK529510
Synonyms: N'-(2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl)benzohydrazide
Smiles: O=C1C=C(C2(O1)CCCCC2)NNC(=O)c1ccccc1

STK529511
Synonyms: (2E)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-iodophenyl)amino]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccccc1I)/C#N

STK529513
Synonyms: methyl3-[(3,4-dihydroquinolin-1(2H)-ylacetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCCc3c1cccc3)cccc2

STK529514
Synonyms: 3,3-dimethyl-9-(nonylamino)-3,4-dihydroacridin-1(2H)-one
Smiles: CCCCCCCCCNc1c2C(=O)CC(Cc2nc2c1cccc2)(C)C

STK529516
Synonyms: (2E)-3-[(4-nitrophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1ccccc1

STK834892
Synonyms: 3-(1H-benzimidazol-2-yl)-1-ethyl-4-hydroxyquinolin-2(1H)-one
Smiles: CCn1c(=O)c(c2nc3c([nH]2)cccc3)c(c2c1cccc2)O

STK529518
Synonyms: methyl5-chloro-3-({[3-(ethoxycarbonyl)piperidin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CC(=O)Nc1c([nH]c2c1cc(Cl)cc2)C(=O)OC

STK834893
Synonyms: 2-benzyl-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: O=c1n(Cc2ccccc2)[nH]c2c1ccc1c2c(=O)c2c(c1=O)cccc2

STK529521
Synonyms: 8-methyl-3-{[(E)-pyridin-3-ylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: Cc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1cccnc1

STK529522
Synonyms: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1cccc(c1C)C

STK529523
Synonyms: (2E)-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)F)/c1scc(n1)c1ccc(c(c1)C)C

STK529528
Synonyms: 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-4-one
Smiles: O=C1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STK834895
Synonyms: 2-(3-chloro-9H-carbazol-9-yl)ethanol
Smiles: OCCn1c2ccccc2c2c1ccc(c2)Cl

STK834898
Synonyms: 2-{[3-methyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-phenylacetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

STK834899
Synonyms: 2,2'-{[4-(pentyloxy)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)
Smiles: CCCCCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

STK834900
Synonyms: 9-(4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Smiles: Oc1ccc(cc1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2

STK834902
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C

STK834903
Synonyms: 2-methyl-6-(morpholin-4-yl)-3-(propan-2-yl)hex-4-yn-3-ol
Smiles: CC(C(C(C)C)(C#CCN1CCOCC1)O)C

STK529532
Synonyms: (2E)-3-[(2,4-dimethylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1cc2ccccc2oc1=O

STK834906
Synonyms: ethyl[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c(n1C)c(=O)[nH]c(=O)n2C

STK529537
Synonyms: {1-[(1Z)-3-(4-chlorophenyl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-ylidene}propanedinitrile
Smiles: N#CC(=c1ccccn1/C(=C\c1ccco1)/C(=O)c1ccc(cc1)Cl)C#N

STK529541
Synonyms: methyl1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Smiles: COC(=O)c1cc(n(c1C)CCc1ccc(c(c1)OC)OC)c1ccccc1

STK529543
Synonyms: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCCC1)C

STK529544
Synonyms: (4-bromophenyl)(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: Brc1ccc(cc1)C(=O)N1c2cc(C)ccc2c2c(C1(C)C)ssc2=S

STK529548
Synonyms: 2-methylhexahydrocyclohepta[d]imidazole-1,3(2H,3aH)-diol
Smiles: CC1N(O)C2C(N1O)CCCCC2

STK529549
Synonyms: 2-(4-benzylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
Smiles: COc1ccc2c(c1)c(c[nH]2)C(=O)CN1CCN(CC1)Cc1ccccc1

STK529550
Synonyms: 2-(4-chlorobenzyl)butanedioicacid
Smiles: OC(=O)C(Cc1ccc(cc1)Cl)CC(=O)O

STK834913
Synonyms: 1-(9H-carbazol-9-yl)-3-[(3-chlorophenyl)amino]propan-2-ol
Smiles: Clc1cccc(c1)NCC(Cn1c2ccccc2c2c1cccc2)O

STK529555
Synonyms: N'-benzyl-2-(4-methylpiperazin-1-yl)-N'-phenylacetohydrazide
Smiles: CN1CCN(CC1)CC(=O)NN(c1ccccc1)Cc1ccccc1

STK834915
Synonyms: (2Z)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccccc1OC)/c1scc(n1)c1ccc(c(c1)OC)OC

STK834916
Synonyms: N'-[(E)-(5-nitrothiophen-2-yl)methylidene]-2-phenylquinoline-4-carbohydrazide
Smiles: O=C(c1cc(nc2c1cccc2)c1ccccc1)N/N=C/c1ccc(s1)[N+](=O)[O-]

STK529559
Synonyms: N-(2-chlorophenyl)-2-(4-chlorophenyl)quinazolin-4-amine
Smiles: Clc1ccc(cc1)c1nc(Nc2ccccc2Cl)c2c(n1)cccc2

STK834921
Synonyms: 4-[(2E)-2-(3-methoxybenzylidene)hydrazinyl][1,2,4]triazolo[4,3-a]quinoxaline
Smiles: COc1cccc(c1)/C=N/Nc1nc2ccccc2n2c1nnc2

STK834922
Synonyms: 1-[(4-chlorophenyl)amino]-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
Smiles: Clc1ccc(cc1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O

STK834924
Synonyms: 2-(3-methoxyphenyl)-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: COc1cccc(c1)n1[nH]c2c(c1=O)ccc1c2c(=O)c2c(c1=O)cccc2

STK834925
Synonyms: (2E)-3-[(3-methoxyphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1ccccc1

STK529570
Synonyms: 3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)benzoicacid
Smiles: CC(c1ccc(cc1)/C=N/c1cccc(c1)C(=O)O)C

STK529572
Synonyms: 8-[(1E)-3-(4-chlorophenyl)triaz-1-en-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)N/N=N/c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK529573
Synonyms: 2-(4-benzylpiperidin-1-yl)-1-(1H-indol-3-yl)ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCC(CC1)Cc1ccccc1

STK834929
Synonyms: 2,4-dichloro-N-[(1Z)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Smiles: Cc1ccc2c(c1)NC(c1c2/c(=N/c2ccc(cc2Cl)Cl)/ss1)(C)C

STK834931
Synonyms: 8-(azepan-1-yl)-7-(3-bromobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1

STK529574
Synonyms: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1C/C=C(/Cl)\C)c(=O)[nH]c(=O)n2C

STK834932
Synonyms: 4,4,6,6-tetramethyl-3a,4,6,7-tetrahydro-2H-imidazo[4,5-c]pyridine-3,5-diol1-oxide
Smiles: ON1C[N+](=C2C1C(C)(C)N(C(C2)(C)C)O)[O-]

STK529575
Synonyms: diethyl2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrole-3,4-dicarboxylate
Smiles: CCOC(=O)c1c(C(=O)OCC)c(n(c1C)CCc1ccccc1)C

STK529578
Synonyms: 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol
Smiles: CC1CCCCN1CC(c1c[nH]c2c1cccc2)O

STK529579
Synonyms: methyl3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoate
Smiles: COC(=O)CCn1c2ccc(cc2c(c1c1ccccc1)c1ccccc1)C

STK529581
Synonyms: (2Z)-3-[(2,4-dichlorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1Cl)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529582
Synonyms: N-[4-({(E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide
Smiles: N#C/C(=C\Nc1ccc(cc1)NC(=O)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834933
Synonyms: 8-(dibutylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCN(c1[nH]c2c(n1)n(C)c(=O)[nH]c2=O)CCCC

STK834935
Synonyms: 2-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)CN1C(=O)c2c(C1=O)cccc2

STK529585
Synonyms: (2E)-3-[(4-bromophenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(cc1C)C

STK529589
Synonyms: 4-[4-(4-chlorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: Clc1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK529590
Synonyms: hexadecyl(2E)-2-cyano-3-[5-(naphthalen-1-yl)furan-2-yl]prop-2-enoate
Smiles: CCCCCCCCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1cccc2c1cccc2)/C#N

STK834940
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2,5-dichlorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1ccc2c(c1)OCO2

STK834941
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529598
Synonyms: 8-methyl-N-[2-(pyrrolidin-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)NCCN1CCCC1

STK529601
Synonyms: (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(c(c1)Cl)Cl

STK834942
Synonyms: 6-chloro-3-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Smiles: COc1cc(/C=C/C(=O)c2c(=O)[nH]c3c(c2c2ccccc2)cc(cc3)Cl)ccc1OC

STK529604
Synonyms: 3-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc2c(c1)OCO2

STK529605
Synonyms: 4-(quinolin-2-ylmethyl)phthalazin-1(2H)-one
Smiles: O=c1[nH]nc(c2c1cccc2)Cc1ccc2c(n1)cccc2

STK529606
Synonyms: (2Z)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(4-ethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1cccc(c1)Br

STK529608
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)C)\C#N

STK529609
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/c1scc(n1)c1ccc2c(c1)OCO2

STK529611
Synonyms: ethyl2-({2-methoxy-5-[(E)-(1H-1,2,4-triazol-1-ylimino)methyl]benzyl}oxy)benzoate
Smiles: CCOC(=O)c1ccccc1OCc1cc(ccc1OC)/C=N/n1cncn1

STK834947
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(2,4-dimethoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1OC)OC)/c1scc(n1)c1ccc(cc1)Cl

STK834948
Synonyms: (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
Smiles: O=C(/C=C/1\NC(C)(C)Cc2c1cccc2)Nc1ccc(cc1)Cl

STK529618
Synonyms: 1-(3,4-dichlorophenyl)-2-{2-imino-3-[2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCCC1

STK529620
Synonyms: (2E)-3-[(4-bromophenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1ccc(c(c1)C)C

STK834949
Synonyms: 5-hexyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]dihydrofuran-2(3H)-one
Smiles: CCCCCCC1CC(C(=O)O1)CCc1nnc([nH]1)S

STK834950
Synonyms: 8-(butylsulfanyl)-3-methyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK529622
Synonyms: 1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(=O)c1c(C)n(c2c1cc(OC)cc2)C

STK529626
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)F)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834954
Synonyms: (2Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc(cc1)OC

STK834955
Synonyms: (2E)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-fluorophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1F)/c1scc(n1)c1ccc(cc1)CC

STK529643
Synonyms: N-(4-chlorobenzyl)-N'-(4-phenyl-1,3-thiazol-2-yl)ethanediamide
Smiles: Clc1ccc(cc1)CNC(=O)C(=O)Nc1scc(n1)c1ccccc1

STK834956
Synonyms: 5-(phenylsulfanyl)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Sc1ccccc1

STK529644
Synonyms: furan-2-yl[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone
Smiles: O=C(c1ccco1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1

STK529647
Synonyms: (2E)-3-(naphthalen-1-ylamino)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK834958
Synonyms: (2E)-3-[(3-butoxyphenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)C)\C#N

STK529650
Synonyms: 1-(3'-cyano-1'H-spiro[cyclopentane-1,2'-naphthalen]-4'-yl)-3-phenylthiourea
Smiles: N#CC1=C(NC(=S)Nc2ccccc2)c2ccccc2CC21CCCC2

STK529653
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1c(C)cc(cc1C)C)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529655
Synonyms: 3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-8-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: COc1ccc2c(c1)c1[nH]c(=O)n(c(=O)c1[nH]2)/N=C/c1ccc(cc1)O

STK834961
Synonyms: 4-(4,5-diphenyl-1H-imidazol-2-yl)pyridine
Smiles: n1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK529660
Synonyms: 1-benzyl-8-bromo-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(Br)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C

STK529665
Synonyms: 7-benzyl-8-bromo-1-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br

STK529666
Synonyms: 7-({(2E)-2-[5,7-dibromo-3-(morpholin-4-yl)-1-benzofuran-2(3H)-ylidene]ethyl}oxy)-4-methyl-2H-chromen-2-one
Smiles: Brc1cc2C(N3CCOCC3)/C(=C\COc3ccc4c(c3)oc(=O)cc4C)/Oc2c(c1)Br

STK529667
Synonyms: (2E)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834967
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)c1ccccc1

STK834970
Synonyms: 7-(2-methoxyethyl)-3-methyl-8-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(N/N=C(/C=C/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C

STK529671
Synonyms: 2-(3,3-dimethylpiperidin-1-yl)-1-(1H-indol-3-yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCCC(C1)(C)C

STK834972
Synonyms: (2Z)-3-[(2,5-dimethoxyphenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)ccc1OC)/c1scc(n1)c1ccc(cc1)C

STK529676
Synonyms: 1-(5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Smiles: OC1(CCN(CC1)c1ncnc2c1[nH]c1c2cccc1)c1cccc(c1)C(F)(F)F

STK529678
Synonyms: tetramethyl2,2',2'',2'''-[(1,4-dioxido-4a,5,6,7,8,8a-hexahydroquinoxaline-2,3-diyl)bis(methanediylnitrilo)]tetraacetate
Smiles: COC(=O)CN(CC1=[N+]([O-])C2CCCCC2[N+](=C1CN(CC(=O)OC)CC(=O)OC)[O-])CC(=O)OC

STK529682
Synonyms: 2-chloro-N-{[4-methyl-6-(1-methylhydrazinyl)pyrimidin-2-yl]carbamoyl}benzenesulfonamide
Smiles: Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(c1)N(N)C

STK834976
Synonyms: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-fluorophenyl)quinoxalin-2-amine
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2nc1n1nc(cc1C)C

STK529683
Synonyms: 2-amino-5-(furan-2-yl)-1-phenyl-1H-pyrrole-3,4-dicarbonitrile
Smiles: N#Cc1c(C#N)c(n(c1c1ccco1)c1ccccc1)N

STK529686
Synonyms: methyl3-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylacetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCC3(CC1)OCCO3)cccc2

STK529690
Synonyms: 1-methyl-8-sulfanyl-3,9-dihydro-1H-purine-2,6-dione
Smiles: Sc1[nH]c2c(n1)c(=O)n(c(=O)[nH]2)C

STK529697
Synonyms: ethyl4-(2-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)NC1c1c(Cl)nc2n(c1=O)cccc2

STK834980
Synonyms: 7,8-dimethyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-6-ol
Smiles: Cc1c(C)n(c2c1c1nonc1cc2)O

STK529702
Synonyms: (2E)-3-[(2,4-dimethylphenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1ccc(c(c1)C)C

STK529703
Synonyms: N-(3,4-difluorophenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Smiles: Cc1nn(c(c1)C)c1nc2ccccc2nc1Nc1ccc(c(c1)F)F

STK529705
Synonyms: 7-(3-bromobenzyl)-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1

STK834988
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)OC)OC

STK529709
Synonyms: 1-(diphenylamino)-3-[(2-hydroxyethyl)(methyl)amino]propan-2-ol
Smiles: OCCN(CC(CN(c1ccccc1)c1ccccc1)O)C

STK834989
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK834990
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-[(3-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1cccc(c1)C

STK529714
Synonyms: 2-hydroxy-2,2-bis(4-methylphenyl)-N'-[(4-methylphenyl)sulfonyl]acetohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)NNC(=O)C(c1ccc(cc1)C)(c1ccc(cc1)C)O

STK529716
Synonyms: N,N'-(1E,4E)-butane-1,4-diylidenebis(2-fluoroaniline)
Smiles: Fc1ccccc1/N=C/CC/C=N/c1ccccc1F

STK529721
Synonyms: 4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
Smiles: CC1=C(Sc2ccccn2)C(=O)NC(C1)(C)C

STK834997
Synonyms: 4-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C\Nc1ccc(cc1)S(=O)(=O)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529723
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-hydroxy-1,1-di(morpholin-4-yl)phosphanecarboximidamideoxide
Smiles: O/N=C(/P(=O)(N1CCOCC1)N1CCOCC1)\Nc1c(C)n(n(c1=O)c1ccccc1)C

STK529725
Synonyms: 2-ethoxy-3-methylquinoxaline
Smiles: CCOc1nc2ccccc2nc1C

STK529728
Synonyms: 1-methyl-6,7,8,9-tetrahydro[1,3]thiazepino[2,3-f]purine-2,4(1H,3H)-dione
Smiles: O=c1[nH]c(=O)n(c2c1n1CCCCSc1n2)C

STK529733
Synonyms: N'-(2-butyl-2-hydroxyhexanoyl)-5-methyl-N-phenylthiophene-3-carbohydrazide
Smiles: CCCCC(C(=O)NN(C(=O)c1csc(c1)C)c1ccccc1)(CCCC)O

STK835000
Synonyms: N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Brc1ccc(cc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK801741
Synonyms: 5,7-dichloro-4-nitro-2,1,3-benzoxadiazole
Smiles: [O-][N+](=O)c1c(Cl)cc(c2c1non2)Cl

STK529739
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835002
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(phenylamino)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835004
Synonyms: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol
Smiles: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1ccccc1

STK529743
Synonyms: 2-imino-10-phenyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Smiles: N#CC12C(=N)OC3(OC1c1ccccc1)C(C2(C#N)C#N)CCCC3

STK529747
Synonyms: ethyl4-{5-[(1E)-2-cyano-3-(hexadecyloxy)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Smiles: CCCCCCCCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)OCC)/C#N

STK835005
Synonyms: (2Z)-3-[(5-chloro-2-methoxyphenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1cccc(c1)c1csc(n1)/C(=C\Nc1cc(Cl)ccc1OC)/C#N

STK529754
Synonyms: 3,3'-({3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methanediyl)bis(4-hydroxy-2H-chromen-2-one)
Smiles: COc1ccc(cc1CSc1nc2c(s1)cccc2)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK835006
Synonyms: (2E)-3-[(3,5-dimethylphenyl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1cccc(c1)OC

STK529755
Synonyms: (2Z)-3-[(2,5-dimethylphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1ccccc1

STK835008
Synonyms: (2Z)-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)C)/c1scc(n1)c1ccc(cc1Cl)Cl

STK835009
Synonyms: (2E)-3-[(3-methoxyphenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK529757
Synonyms: 2-{[2-(chloroacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: ClCC(=O)N1CCc2c(C1CN1C(=O)c3c(C1=O)cccc3)cccc2

STK529762
Synonyms: 5-bromo-2-iodo-N-[4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide
Smiles: Brc1ccc(c(c1)C(=O)Nc1ccc(cc1)c1cc2ccccc2oc1=O)I

STK835014
Synonyms: 1,2,4,5,6,8-hexamethyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione
Smiles: CN1C(=O)N(C)C2(CC1(C)N(C)C(=O)N2C)C

STK835015
Synonyms: 3-methyl-8-[(4-methylbenzyl)amino]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)CNc1nc2c(n1CCCc1ccccc1)c(=O)[nH]c(=O)n2C

STK529764
Synonyms: 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxo-2-[4-(propan-2-yloxy)phenyl]butanoicacid
Smiles: CCOC(=O)CNC(=O)CC(c1ccc(cc1)OC(C)C)C(=O)O

STK529768
Synonyms: 3-amino-4-formyl-2-(4-methyl-2-oxopent-3-en-1-yl)cyclopent-3-ene-1,1,2-tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)C=C(C)C

STK529770
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-bromophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Br)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835017
Synonyms: (2Z)-3-[(3-chloro-2-methylphenyl)amino]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1ccc(cc1)F

STK529772
Synonyms: N,N'-pentane-1,5-diylbis(4-fluorobenzenesulfonamide)
Smiles: Fc1ccc(cc1)S(=O)(=O)NCCCCCNS(=O)(=O)c1ccc(cc1)F

STK835020
Synonyms: (2E)-3-[(2-nitrophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccccc1

STK835022
Synonyms: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1C)/c1scc(n1)c1ccc2c(c1)OCO2

STK529773
Synonyms: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-2-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK835024
Synonyms: (2Z)-3-(3-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK835025
Synonyms: 1-(9H-carbazol-9-yl)-3-[(4-methylphenyl)amino]propan-2-ol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CNc1ccc(cc1)C

STK835028
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(cc1)Cl

STK529784
Synonyms: (2E)-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835029
Synonyms: 1-prop-2-en-1-yl-3-pyridin-2-ylthiourea
Smiles: C=CCNC(=S)Nc1ccccn1

STK835031
Synonyms: (2E)-3-[(4-chlorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529787
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1cc2ccccc2oc1=O

STK529790
Synonyms: N-{4-[(2-oxopyrrolidin-1-yl)methyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)CN1CCCC1=O

STK529791
Synonyms: (5E)-1-[2-(4-fluorophenyl)ethyl]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Fc1ccc(cc1)CCN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)/C1=O

STK835032
Synonyms: (2Z)-3-[(2-ethoxyphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccccc1N/C=C(\c1scc(n1)c1cc2ccccc2oc1=O)/C#N

STK835034
Synonyms: 1,7-dibenzyl-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STK835035
Synonyms: 6-(4-fluorophenyl)-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione
Smiles: Fc1ccc(cc1)C1OC(=O)C(C(=O)C1(C)C)(C)C

STK835037
Synonyms: (2E)-3-[(4-bromophenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)c1csc(n1)/C(=C/Nc1ccc(cc1)Br)/C#N

STK835038
Synonyms: 4-(2-chlorophenyl)-6-oxo-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2cccs2)NC(=O)CC1c1ccccc1Cl

STK529803
Synonyms: ethyl4-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CC(c1c[nH]c2c1cc(OC)cc2)O

STK835039
Synonyms: 2-hydroxy-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2,2-bis(3-methylphenyl)acetohydrazide
Smiles: COc1cccc(c1O)/C=N/NC(=O)C(c1cccc(c1)C)(c1cccc(c1)C)O

STK529810
Synonyms: 6-[(E)-{2-[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazinylidene}methyl]-2,3-dimethoxybenzoicacid
Smiles: OCCn1c(N/N=C/c2ccc(c(c2C(=O)O)OC)OC)nc2c1c(=O)n(c(=O)n2C)C

STK835041
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK835042
Synonyms: (2E)-3-[(2-chlorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK835043
Synonyms: 2-[6-(4-methylphenyl)-4-phenylpyridin-2-yl]phenol
Smiles: Cc1ccc(cc1)c1cc(cc(n1)c1ccccc1O)c1ccccc1

STK529812
Synonyms: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
Smiles: CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2

STK835044
Synonyms: 1-(3,4-dichlorophenyl)-2-{2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}ethanol
Smiles: OC(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)CCN1CCOCC1

STK835046
Synonyms: 2-(4-bromophenyl)-4-(morpholin-4-yl)quinazoline
Smiles: Brc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)cccc2

STK529816
Synonyms: 3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
Smiles: CC(COc1ccc(cc1)F)CNCc1ccco1

STK835047
Synonyms: 7-[(2-hydroxyethyl)amino]-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: OCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK529817
Synonyms: 6-hexyl-7-hydroxy-2-imino-N-methyl-2H-chromene-3-carboxamide
Smiles: CCCCCCc1cc2cc(C(=O)NC)c(=N)oc2cc1O

STK529822
Synonyms: (2E)-{[4-(dimethylamino)phenyl]imino}(phenyl)ethanenitrile
Smiles: CN(c1ccc(cc1)/N=C(\c1ccccc1)/C#N)C

STK529823
Synonyms: 5-[(E)-{2-[(2-hydroxyphenyl)carbonyl]hydrazinylidene}methyl]-4-(3-methylpyridinium-1-yl)-2-oxo-1,3-thiazol-3-ide
Smiles: O=c1[n-]c(c(s1)/C=N/NC(=O)c1ccccc1O)[n+]1cccc(c1)C

STK529827
Synonyms: (2Z)-3-[(4-ethoxyphenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCOc1ccc(cc1)N/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N

STK529828
Synonyms: 4,6-dimethyl-N-(3-nitrophenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1cc(C)c(c(o1)C)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STK835051
Synonyms: 1-(4-fluorobenzyl)pyridin-4(1H)-imine
Smiles: Fc1ccc(cc1)Cn1ccc(=N)cc1

STK835053
Synonyms: ethyl2-(morpholin-4-yl)-6-(pyridin-3-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
Smiles: CCOC(=O)C1(N=C(OC(=N1)c1cccnc1)N1CCOCC1)C(F)(F)F

STK835055
Synonyms: 1,7-dibenzyl-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)CC

STK835058
Synonyms: N-{4-[(1,1-dioxido-1,2-benzothiazol-3-yl)oxy]butan-2-yl}-N'-phenylethanediamide
Smiles: CC(NC(=O)C(=O)Nc1ccccc1)CCOC1=NS(=O)(=O)c2c1cccc2

STK835059
Synonyms: 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)N)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK835060
Synonyms: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-methylbenzyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Cn1c(=N)n(c2c1cccc2)Cc1ccccc1C

STK529850
Synonyms: 1-benzyl-4-(4-hydroxyphenyl)-6-imino-3-methyl-1,4,5,6-tetrahydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1C(=N)Oc2c(C1c1ccc(cc1)O)c(C)nn2Cc1ccccc1

STK529851
Synonyms: N-(2,6-dichloro-4-sulfamoylphenyl)-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)[nH]c2c(c1=O)cccc2)Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N

STK835064
Synonyms: (2E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(C)cc(c1)C)/c1scc(n1)c1ccc(c(c1)OC)OC

STK835065
Synonyms: (2E)-3-[(4-methoxyphenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1)CC(C)C

STK529856
Synonyms: 4-(naphthalen-1-yloxy)-N-(tetrahydrofuran-2-ylmethyl)butan-1-amine
Smiles: C(NCC1CCCO1)CCCOc1cccc2c1cccc2

STK529857
Synonyms: 3-(3,4-dimethoxyphenyl)-4,6,6-trimethyl-5,6-dihydropyridin-2(1H)-one
Smiles: COc1cc(ccc1OC)C1=C(C)CC(NC1=O)(C)C

STK529859
Synonyms: 5-[(cyclohexyloxy)methyl]quinolin-8-ol
Smiles: Oc1ccc(c2c1nccc2)COC1CCCCC1

STK835069
Synonyms: (2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1C(C)C)/c1scc(n1)c1ccc(cc1)F

STK529861
Synonyms: (2Z)-3-[(2,3-dichlorophenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1Cl)Cl)/c1scc(n1)c1ccccc1

STK529862
Synonyms: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-pentyl-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCNC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)N1CCN(CC1)C)F

STK529876
Synonyms: 2-(2,4-dinitrophenoxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one
Smiles: Cc1cc(C)c(c(=O)c(c1)C)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK835074
Synonyms: (2Z)-3-[(2,5-dimethylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(C)ccc1C)/c1scc(n1)c1cc2ccccc2oc1=O

STK835075
Synonyms: (2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)C

STK529880
Synonyms: N-[(4Z)-1-(3-methoxyphenyl)-7,7-dimethyl-2-(methylsulfanyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-4-ylidene]-2-methylaniline
Smiles: CSC1=N/C(=N\c2ccccc2C)/C2(N1c1cccc(c1)OC)CCOC(C2)(C)C

STK835076
Synonyms: ethyl(7Z)-3-amino-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)/C(=C\c2ccco2)/CC1

STK835079
Synonyms: 2-methyl-3-{(2E)-2-[1-(pyridin-3-yl)ethylidene]hydrazinyl}quinoxaline
Smiles: C/C(=N\Nc1nc2ccccc2nc1C)/c1cccnc1

STK529886
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(2-methoxyphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1OC)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK529887
Synonyms: 1-[(4aS)-dodecahydro-10H-phenothiazin-10-yl]ethanone
Smiles: CC(=O)N1C2CCCCC2S[C@@H]2C1CCCC2

STK529889
Synonyms: 3-(diethylamino)propylethoxy(diphenyl)acetate
Smiles: CCOC(c1ccccc1)(c1ccccc1)C(=O)OCCCN(CC)CC

STK529891
Synonyms: (2Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-ethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccc(cc1)CC)/c1scc(n1)c1ccc(cc1)Cl

STK529895
Synonyms: 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)C1c2ccccc2c2c1cccc2

STK835085
Synonyms: ethyl4-{[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccccc1)\C#N

STK835086
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)COc1ccc(cc1)Cl

STK529902
Synonyms: 3,5-di-tert-butyl-4-hydroxy-N-methylbenzenecarbothioamide
Smiles: CNC(=S)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK835089
Synonyms: 4-{(E)-[2-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)hydrazinylidene]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/Nc1nc2ccccc2n2c1nnc2

STK529903
Synonyms: (2E)-1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
Smiles: CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)/C=C/c1ccccc1)(C)C

STK835090
Synonyms: 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
Smiles: Brc1cc2[nH]c(nc2nc1C)C(F)(F)F

STK835094
Synonyms: 1-(diphenylamino)-3-(morpholin-4-yl)propan-2-ol
Smiles: OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1

STK529906
Synonyms: (4-bromophenyl)(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: Brc1ccc(cc1)C(=O)N1c2c(C)cccc2c2c(C1(C)C)ssc2=S

STK835095
Synonyms: 3,3',3''-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanenitrile
Smiles: N#CCCn1c(=O)n(CCC#N)c(=O)n(c1=O)CCC#N

STK835097
Synonyms: 7-(2-chlorobenzyl)-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c(=O)n2C

STK529908
Synonyms: (2E)-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-{[4-(propan-2-yl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C(C)C)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK529920
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1cc2cc(Br)ccc2oc1=O

STK529922
Synonyms: (2Z)-3-[(3-chloro-2-methylphenyl)amino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cccc(c1C)Cl)/c1scc(n1)c1ccc(cc1)OC

STK835102
Synonyms: 5-methoxy-2-(1H-pyrazol-3-yl)phenol
Smiles: COc1ccc(c(c1)O)c1n[nH]cc1

STK835103
Synonyms: 2-[bis(5-methylfuran-2-yl)methyl]-4-chlorophenol
Smiles: Clc1ccc(c(c1)C(c1ccc(o1)C)c1ccc(o1)C)O

STK529927
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(\c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)/C#N

STK835104
Synonyms: 5-[(pentyloxy)methyl]-3-{(2E)-2-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl}dihydrofuran-2(3H)-one(non-preferredname)
Smiles: CCCCCOCC1CC(C(=O)O1)C/C(=N/Nc1scc(n1)c1ccccc1)/C

STK835105
Synonyms: 3-(phenylcarbonyl)spiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
Smiles: O=C(N1C(=O)c2ccccc2OC21CCCCC2)c1ccccc1

STK529928
Synonyms: 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile
Smiles: N#Cc1nc(CC(C)C)cc(c1N)c1ccccc1OC

STK529930
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(3-chloro-4-methylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK835107
Synonyms: 2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(c1ccc(c(c1)Cl)Cl)O

STK835109
Synonyms: (2E)-3-[(2,4-dimethylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529931
Synonyms: (2E)-3-[(2-ethylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1CC)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK835110
Synonyms: (2E)-3-[(3-bromophenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)Br)/c1scc(n1)c1ccc(c(c1)C)C

STK835113
Synonyms: 7-phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
Smiles: c1ccc(cc1)n1nc2c(n1)c1nonc1cc2

STK529932
Synonyms: 1-(1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
Smiles: CC1CCCN(C1)CC(=O)c1c[nH]c2c1cccc2

STK529935
Synonyms: 2-[(6,10-dicyano-9-oxo-8-azaspiro[4.5]dec-6-en-7-yl)sulfanyl]-N-phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C(C21CCCC2)C#N

STK529939
Synonyms: 2-chloro-3-[(4-methoxybenzyl)amino]naphthalene-1,4-dione
Smiles: COc1ccc(cc1)CNC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK835117
Synonyms: 6-bromo-3-[(2E)-3-(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)/C=C/C(=O)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br

STK835120
Synonyms: (2E)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
Smiles: O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)/C=C/c1ccccc1

STK835121
Synonyms: N,N'-bis(2-oxo-2H-chromen-6-yl)benzene-1,4-dicarboxamide
Smiles: O=c1ccc2c(o1)ccc(c2)NC(=O)c1ccc(cc1)C(=O)Nc1ccc2c(c1)ccc(=O)o2

STK529945
Synonyms: (2E)-3-[(3,5-dichlorophenyl)amino]-2-[4-(3-oxo-3H-benzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(Cl)cc(c1)Cl)/c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK835122
Synonyms: 4-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
Smiles: C1CCN(C1)c1nc2ccccc2n2c1nnc2

STK529947
Synonyms: 2-amino-5-(propan-2-yl)benzenesulfonicacid
Smiles: CC(c1ccc(c(c1)S(=O)(=O)O)N)C

STK835127
Synonyms: (2E)-3-[(4-chlorophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)Cl)/c1scc(n1)c1cc2ccccc2oc1=O

STK529951
Synonyms: (2E)-3-[(3-chloro-4-methylphenyl)amino]-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)C)/c1scc(n1)c1ccc(cc1C)C

STK529953
Synonyms: (2E)-3-[(2-chlorophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1Cl)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK835131
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(4-iodophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)I)/c1scc(n1)c1ccc(cc1)c1ccccc1

STK529957
Synonyms: (2E)-3-[(3,4-dichlorophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)Cl)Cl)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK529958
Synonyms: 1,2,2-tricyano-5-oxo-3-phenylcyclohexanecarboxamide
Smiles: N#CC1(C#N)C(CC(=O)CC1(C#N)C(=O)N)c1ccccc1

STK835133
Synonyms: N-benzyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Smiles: Cc1cc(n(n1)c1nc2ccccc2nc1NCc1ccccc1)C

STK529961
Synonyms: ethyl{2-[(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]hydrazinyl}(oxo)acetate
Smiles: CCOC(=O)C(=O)NNC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK529963
Synonyms: 2,5-dimethyl-N,N'-di(naphthalen-1-yl)piperazine-1,4-dicarboxamide
Smiles: CC1CN(C(CN1C(=O)Nc1cccc2c1cccc2)C)C(=O)Nc1cccc2c1cccc2

STK529964
Synonyms: 8-(azepan-1-yl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1

STK529971
Synonyms: (2Z)-3-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(OC)c(cc1OC)Cl)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529972
Synonyms: ethyl3-[({4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}acetyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(CC1)(O)c1cccc(c1)C(F)(F)F)cc(cc2)OC

STK835135
Synonyms: 8-(dimethylamino)-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(C)C

STK529975
Synonyms: (2Z)-3-(4-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)[N+](=O)[O-])/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK529977
Synonyms: 2,5-dimethyl-1-(2-phenylethyl)piperidin-4-one
Smiles: CC1CC(=O)C(CN1CCc1ccccc1)C

STK529981
Synonyms: N-tert-butyl-3-(morpholin-4-yl)propanamide
Smiles: O=C(NC(C)(C)C)CCN1CCOCC1

STK835136
Synonyms: N-{5-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Smiles: N#C/C(=C/c1ccc(cc1)OC)/c1nnc(s1)NC(=O)c1cccc(c1)C

STK529987
Synonyms: 8-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CN1CCN(CC1)CCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK835138
Synonyms: 5,5-dimethyl-2-phenyl-4-(pyridin-2-yl)-2,5-dihydro-1H-imidazol-1-ol
Smiles: ON1C(N=C(C1(C)C)c1ccccn1)c1ccccc1

STK529991
Synonyms: methyl3-{[3-(3,3-dimethylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)(C)C)cccc2

STK529994
Synonyms: 2-chloro-N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methoxybenzenesulfonamide
Smiles: CON(S(=O)(=O)c1ccccc1Cl)c1nc(Cl)nc(n1)N(C)C

STK835139
Synonyms: 2-phenylhexahydro-1H-benzimidazole-1,3(2H)-diol
Smiles: ON1C2CCCCC2N(C1c1ccccc1)O

STK529996
Synonyms: 3-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole
Smiles: c1ccc(cc1)C1(OCCO1)Cc1c[nH]c2c1cccc2

STK835140
Synonyms: (2E)-3-[(2-iodophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1I)/c1scc(n1)c1cc2ccccc2oc1=O

STK835141
Synonyms: (2E)-3-[(4-methylphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(cc1)C)/c1scc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK529998
Synonyms: phenyl[6-phenyl-1-(phenylamino)-1,2,3,4-tetrahydropyridin-3-yl]methanone
Smiles: O=C(C1CC=C(N(C1)Nc1ccccc1)c1ccccc1)c1ccccc1

STK529999
Synonyms: (2Z)-3-[(2,5-dichlorophenyl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/Nc1cc(Cl)ccc1Cl)/c1scc(n1)c1ccc(cc1)CC

STK835146
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Br)nc(cc1c1ccc(cc1)OC)C1CC1

STK530002
Synonyms: 3-imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1ccccc1)(C(C2(C#N)C#N)C)C

STK530005
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(3-methoxyphenyl)amino]prop-2-enenitrile
Smiles: COc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)Br)\C#N

STK530008
Synonyms: (2Z)-3-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)OC)O)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK530009
Synonyms: [4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl][(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyanamide
Smiles: CCNc1nc(Cl)nc(n1)N(CN1C(=O)c2c(C1=O)cccc2)C#N

STK530012
Synonyms: 1-(morpholin-4-yl)-3-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenoxy]propan-2-ol
Smiles: OC(CN1CCOCC1)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3

STK530014
Synonyms: 3-amino-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)N

STK530016
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[(3,4-dimethylphenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1ccc(cc1)Br

STK835149
Synonyms: 3-methyl-7-(3-methylbutyl)-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1CCC(C)C)c(=O)[nH]c(=O)n2C

STK835150
Synonyms: 2-(4-fluorophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Smiles: Fc1ccc(cc1)C1NC(=O)c2c(O1)cccc2

STK835151
Synonyms: 2-amino-4-ethyl-6-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)c2cc3ccccc3oc2=O)nc(c(c1CC)C#N)N

STK835152
Synonyms: (2E)-2-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-3-[(3-butoxyphenyl)amino]prop-2-enenitrile
Smiles: CCCCOc1cccc(c1)N/C=C(/c1scc(n1)c1ccc(cc1)c1ccccc1)\C#N

STK835153
Synonyms: 2,4-bis(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine
Smiles: COc1ccc(c(c1)OC)C1=Nc2ccccc2NC(C1)(C)c1ccc(cc1OC)OC

STK530019
Synonyms: 4-ethoxy-N,N-diethyl-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide
Smiles: CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)nn2C)S(=O)(=O)N(CC)CC

STK530020
Synonyms: 4,5-diphenyl-2-(2,4,6-trimethylphenyl)-1H-imidazole
Smiles: Cc1cc(C)c(c(c1)C)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK835156
Synonyms: 5,5-dimethyl-3-phenyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
Smiles: CC1(C)Cc2ccccc2c2n1c(nn2)c1ccccc1

STK530025
Synonyms: methyl5-methyl-3-{[3-(3-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCCC(C1)C)cc(cc2)C

STK835157
Synonyms: 8-phenyl-4,5-dihydro[1,2,5]oxadiazolo[3,4-f]cinnoline
Smiles: c1ccc(cc1)c1nnc2c(c1)c1nonc1CC2

STK530027
Synonyms: 2-[bis(5-methylfuran-2-yl)methyl]-6-methyl-4-nitrophenol
Smiles: Cc1ccc(o1)C(c1cc(cc(c1O)C)[N+](=O)[O-])c1ccc(o1)C

STK835158
Synonyms: N-(2-nitro-1-phenylethyl)aniline
Smiles: [O-][N+](=O)CC(c1ccccc1)Nc1ccccc1

STK530028
Synonyms: N'-(2,1,3-benzoxadiazol-4-ylsulfonyl)acetohydrazide
Smiles: CC(=O)NNS(=O)(=O)c1cccc2c1non2

STK530030
Synonyms: 5-{1-[(4-methylphenyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(=C1C(=O)NC(=O)NC1=O)Nc1ccc(cc1)C

STK530033
Synonyms: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STK530040
Synonyms: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-butoxyphenyl)amino]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1cc2cc(Br)ccc2oc1=O)\C#N

STK530043
Synonyms: N-{6-[bis(5-methylfuran-2-yl)methyl]-1,3-benzodioxol-5-yl}acetamide
Smiles: CC(=O)Nc1cc2OCOc2cc1C(c1ccc(o1)C)c1ccc(o1)C

STK530045
Synonyms: 3-(prop-2-yn-1-yl)quinazolin-4(3H)-one
Smiles: C#CCn1cnc2c(c1=O)cccc2

STK530048
Synonyms: 5-[(E)-{2-[(2-hydroxyphenyl)carbonyl]hydrazinylidene}methyl]-4-(4-methylpyridinium-1-yl)-2-oxo-1,3-thiazol-3-ide
Smiles: Cc1cc[n+](cc1)c1[n-]c(=O)sc1/C=N/NC(=O)c1ccccc1O

STK835169
Synonyms: (2Z)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(phenylamino)prop-2-enenitrile
Smiles: N#C/C(=C/Nc1ccccc1)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK530053
Synonyms: (5E)-5-(hydroxyimino)-6-oxo-3-(prop-1-en-2-yl)heptanenitrile
Smiles: N#CCC(C(=C)C)C/C(=N\O)/C(=O)C

STK835171
Synonyms: (2Z)-3-[(2,4-dimethoxyphenyl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: COc1ccc(c(c1)OC)N/C=C(\c1scc(n1)c1ccc(c(c1)C)C)/C#N

STK530054
Synonyms: methyl(5E)-5-[(heptylamino)methylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Smiles: CCCCCCCN/C=C/1\C(=O)CC(C(C1=O)C(=O)OC)(C)C

STK530055
Synonyms: 2-{[8,8-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)N)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK530058
Synonyms: quinoline-5,8-diamine
Smiles: Nc1ccc(c2c1nccc2)N

STK835175
Synonyms: N-[(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)methyl]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NCc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Br

STK835176
Synonyms: 5-chloro-4-hydroxy-6H-pyrido[3,2,1-jk]carbazol-6-one
Smiles: Clc1c(O)c2cccc3c2n(c1=O)c1ccccc31

STK835178
Synonyms: 4,6-dichloro-5-nitro-2,1,3-benzoxadiazole
Smiles: [O-][N+](=O)c1c(Cl)cc2c(c1Cl)non2

STK835179
Synonyms: 1,2,4,5-tetrahydro-3H-2-benzazepin-3-one
Smiles: O=C1NCc2c(CC1)cccc2

STK530079
Synonyms: 8-methyl-4-phenyl-1-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(nn2)SC(C)C)c1ccccc1

STK530080
Synonyms: N-[(Z)-amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]acetamide
Smiles: CC(=O)/N=C(/c1nonc1N)\N

STK530086
Synonyms: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(1H-indol-3-yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c[nH]c2c1cccc2)C

STK530090
Synonyms: {[(2Z)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}(phenyl)aceticacid
Smiles: CC(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NC(c1ccccc1)C(=O)O

STK530093
Synonyms: 4-({[2-(3-methylbutoxy)phenyl]carbonyl}amino)butanoicacid
Smiles: CC(CCOc1ccccc1C(=O)NCCCC(=O)O)C

STK530094
Synonyms: 1,5-anhydro-2-deoxy-3-C-methyl-D-erythro-pentitol
Smiles: O[C@@H]1COCC[C@]1(C)O

STK835189
Synonyms: 5-(3,4-dihydroxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: O=C1CCCC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)O)O

STK530100
Synonyms: 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1F)O)c(n2C)C

STK530101
Synonyms: methyl3-({N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylglycyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN(CCc1ccc(c(c1)OC)OC)C)cccc2

STK835192
Synonyms: ethyl6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxylate
Smiles: CCOC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK530105
Synonyms: 5-hydroxy-1H-indole-2-carboxylicacid
Smiles: Oc1ccc2c(c1)cc([nH]2)C(=O)O

STK835193
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/c1scc(n1)c1ccc2c(c1)OCO2

STK835194
Synonyms: (2Z)-N-hydroxy-4-[3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]butan-2-imine
Smiles: O/N=C(\CCc1oc2c(c1c1ccc(o1)C)cccc2)/C

STK530112
Synonyms: 3-(4-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(pyridin-3-ylmethyl)urea
Smiles: CC1CN=C(S1)N(C(=O)Nc1ccc(cc1)Cl)Cc1cccnc1

STK530113
Synonyms: 2,2'-(9H-carbazole-3,6-diyl)diaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1cc(ccc1[nH]2)CC(=O)O

STK530114
Synonyms: 8-methoxy-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)C

STK530119
Synonyms: 3-{4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3(4H)-yl}benzoicacid
Smiles: OC(=O)c1cccc(c1)n1c(/C=C/c2ccccc2)nc2c(c1=O)cccc2

STK530121
Synonyms: 9,10-dimethoxy-6-phenyl-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Smiles: COc1ccc2c(c1OC)C(=O)N1C2N(c2ccccc2)C(=O)c2c1cccc2

STK530125
Synonyms: butyl2-{[(2Z)-3-bromo-6-oxo-6,11-dihydro-2H-pyrimido[2,1-b]quinazolin-2-ylidene]amino}benzoate
Smiles: CCCCOC(=O)c1ccccc1/N=c/1\nc2[nH]c3ccccc3c(=O)n2cc1Br

STK530128
Synonyms: ethyloxo(1-oxo-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetate
Smiles: CCOC(=O)C(=O)C1CCc2c(C1=O)[nH]c1c2cccc1

STK835197
Synonyms: ethyl[(4-ethyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CC)CCCCC3

STK530129
Synonyms: N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Smiles: Cc1ccc2c(c1)c1CCCC(c1[nH]2)NCc1ccccc1

STK530131
Synonyms: (6Z)-5-diazo-1,3-dimethyl-6-{(2E)-[(5-nitrofuran-2-yl)methylidene]hydrazinylidene}dihydropyrimidine-2,4(1H,3H)-dione
Smiles: [N-]=[N+]=C1/C(=N/N=C/c2ccc(o2)[N+](=O)[O-])/N(C)C(=O)N(C1=O)C

STK530134
Synonyms: methyl2,4-dioxo-6-phenylcyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)CC(=O)CC1c1ccccc1

STK530135
Synonyms: 1-[1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)C(N1CCC(CC1)C(=O)N)C)c(n2C)C

STK530137
Synonyms: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
Smiles: Nc1c2cc3CCCCCc3nc2sc1C(=O)C12CC3CC(C2)CC(C1)C3

STK530139
Synonyms: 1-(benzylsulfanyl)-8-tert-butyl-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cn1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C)SCc1ccccc1

STK530140
Synonyms: N-[4-(3,6-dioxocyclohexa-1,4-dien-1-yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1=CC(=O)C=CC1=O

STK530141
Synonyms: 2-(pyridin-3-yl)-1,3-thiazole-4-carboxylicacid
Smiles: OC(=O)c1csc(n1)c1cccnc1

STK530142
Synonyms: N-[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]valine
Smiles: CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)NC(C(=O)O)C(C)C

STK530144
Synonyms: N-{(2E)-3-(4-methoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}phenylalanine
Smiles: COc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)Cc1ccccc1)/NC(=O)c1ccccc1

STK530145
Synonyms: (2E)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Smiles: COc1cc(ccc1OC)C(=O)/C=C/c1ccccc1

STK530146
Synonyms: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(naphthalen-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C\C=C\c2ccco2)/C(=O)N1c1cccc2c1cccc2

STK530150
Synonyms: 5-(acetyloxy)pyridine-3-carboxylicacid
Smiles: CC(=O)Oc1cncc(c1)C(=O)O

STK530152
Synonyms: 2-methoxy-1-(3-methyl-1H-indol-2-yl)ethanone
Smiles: COCC(=O)c1[nH]c2c(c1C)cccc2

STK835205
Synonyms: N-[(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)CNS(=O)(=O)c1ccccc1

STK530160
Synonyms: 1-[5-methyl-3-(pentafluoroethyl)-1H-pyrazol-4-yl]ethanone
Smiles: CC(=O)c1c(C)[nH]nc1C(C(F)(F)F)(F)F

STK530161
Synonyms: N-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-methylacetamide
Smiles: CC(=O)N(C1=C(O)C(=O)c2c(C1=O)cccc2)C

STK835208
Synonyms: 4-[(1R,4S)-bicyclo[2.2.1]hept-2-yl]benzene-1,2-diol
Smiles: Oc1ccc(cc1O)C1C[C@H]2C[C@@H]1CC2

STK530169
Synonyms: 2,3-dihydro-1,4-benzodioxine-5-carboxylicacid
Smiles: OC(=O)c1cccc2c1OCCO2

STK530170
Synonyms: 8-methoxy-N-(4-methoxybenzyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccc(cc1)CNc1ncnc2c1[nH]c1c2cc(cc1)OC

STK835213
Synonyms: 2-amino-5-[4-(propan-2-yloxy)benzyl]pyrimidine-4,6-diol
Smiles: CC(Oc1ccc(cc1)Cc1c(O)nc(nc1O)N)C

STK530175
Synonyms: 2-hexadecyl-1H-benzimidazol-6-ol
Smiles: CCCCCCCCCCCCCCCCc1nc2c([nH]1)cc(cc2)O

STK530176
Synonyms: ethyl4-(2-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1O

STK530177
Synonyms: 5-[(3-hydroxypropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Smiles: OCCCNc1ccc2c3c1C(=O)c1ccccc1c3on2

STK835216
Synonyms: 5-butyl-N-(2-phenylethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3NCCc1ccccc1

STK530180
Synonyms: ethyl3-({[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]acetyl}amino)-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCC(=CC1)c1ccc(cc1)F)cc(cc2)OC

STK530183
Synonyms: 3-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-formylcyclopent-3-ene-1,1,2-tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)Cl

STK530187
Synonyms: 3-amino-4-formyl-2-[2-(4-methylphenyl)-2-oxoethyl]cyclopent-3-ene-1,1,2-tricarbonitrile
Smiles: O=CC1=C(N)C(C(C1)(C#N)C#N)(C#N)CC(=O)c1ccc(cc1)C

STK530189
Synonyms: 7-oxo-7H-benzo[e]perimidine-4-carboxylicacid
Smiles: OC(=O)c1ccc2c3c1ncnc3c1c(C2=O)cccc1

STK530190
Synonyms: 5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]benzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1CSc1ccccn1)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK530191
Synonyms: 2-methyl-9,10-dihydro-4H-benzo[5,6]cyclohepta[1,2-d][1,3]oxazol-4-ol
Smiles: Cc1nc2c(o1)CCc1c(C2O)cccc1

STK530194
Synonyms: 4-methoxyquinoline-2-carboxylicacid
Smiles: COc1cc(nc2c1cccc2)C(=O)O

STK530199
Synonyms: N-[(2Z)-2-{[(2-methoxyphenyl)carbonyl]amino}-3-phenylprop-2-enoyl]glycine
Smiles: COc1ccccc1C(=O)N/C(=C\c1ccccc1)/C(=O)NCC(=O)O

STK835220
Synonyms: (4aR,8bS)-4a,8b-dihydro-2H-1,4-dioxa-8c-azapentaleno[1,6-ab]inden-2a(3H)-ylmethanol
Smiles: OCC12CO[C@@H]3N2[C@H](OC1)c1c3cccc1

STK835221
Synonyms: 1-[(E)-morpholin-4-yldiazenyl]anthracene-9,10-dione
Smiles: O=C1c2c(cccc2C(=O)c2c1cccc2)/N=N/N1CCOCC1

STK530204
Synonyms: 2,11-dimethyl-4,9-dioxo-3,5,8,10-tetraazadodecane-1,12-dioicacid(non-preferredname)
Smiles: CC(C(=O)O)NC(=O)NCCNC(=O)NC(C(=O)O)C

STK530210
Synonyms: ethyl[10-(N,N-diethylglycyl)-10H-phenothiazin-2-yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1c(S2)cccc1

STK530211
Synonyms: 4,6,7-trimethylquinazolin-2-amine
Smiles: Nc1nc(C)c2c(n1)cc(c(c2)C)C

STK530214
Synonyms: 2-[bis(5-methylfuran-2-yl)methyl]phenol
Smiles: Cc1ccc(o1)C(c1ccccc1O)c1ccc(o1)C

STK530215
Synonyms: (2Z)-3-(4-hydroxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoicacid
Smiles: Oc1ccc(cc1)/C=C(/C(=O)O)\NC(=O)c1ccccc1

STK530217
Synonyms: methyl3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)C

STK530220
Synonyms: methyl3-butanoyl-6,6-dimethyl-2-oxo-4-[(2-phenylethyl)amino]cyclohex-3-ene-1-carboxylate
Smiles: CCCC(=O)C1=C(NCCc2ccccc2)CC(C(C1=O)C(=O)OC)(C)C

STK530224
Synonyms: methyl1-(furan-2-ylmethyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1ccc(=O)n(c1)Cc1ccco1

STK530227
Synonyms: 1-cyclohexyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Smiles: COc1c(OC)ccc2c1C(=O)OC2c1c(=O)[nH]c(=O)n(c1O)C1CCCCC1

STK530229
Synonyms: N-hexyl-5-phenyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1

STK530231
Synonyms: 2-[(2E)-2-benzylidene-1-methylhydrazinyl]-4-phenyl-1,3-thiazole
Smiles: CN(c1scc(n1)c1ccccc1)/N=C/c1ccccc1

STK530234
Synonyms: N-(4-methoxybenzyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1

STK835224
Synonyms: 2-(dimethylamino)-6-(methoxymethyl)-4-methylpyridine-3-carbonitrile
Smiles: COCc1cc(C)c(c(n1)N(C)C)C#N

STK530239
Synonyms: methyl3-{[(4,6-dimethyl-2-oxo-2H-pyran-5-yl)carbonyl]amino}thiophene-2-carboxylate
Smiles: COC(=O)c1sccc1NC(=O)c1c(C)cc(=O)oc1C

STK530240
Synonyms: 3-phenyl-2-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: C=CCSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK530245
Synonyms: 1-(3,4-dimethoxybenzyl)-N-(3,4-dimethoxyphenyl)prolinamide
Smiles: COc1ccc(cc1OC)CN1CCCC1C(=O)Nc1ccc(c(c1)OC)OC

STK530246
Synonyms: 2-(benzylamino)-3-chloronaphthalene-1,4-dione
Smiles: ClC1=C(NCc2ccccc2)C(=O)c2c(C1=O)cccc2

STK530248
Synonyms: 2-(4-benzylpiperidin-1-yl)-1-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCC(CC1)Cc1ccccc1

STK835228
Synonyms: (2E)-1-(5-bromo-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2cc(Br)ccc2O)ccc1OC

STK530249
Synonyms: 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-pyrimido[5,4-b]indole
Smiles: FC(c1cccc(c1)N1CCN(CC1)c1ncnc2c1[nH]c1c2cccc1)(F)F

STK530250
Synonyms: 8-(4-methoxyphenoxy)-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: COc1ccc(cc1)Oc1ccc2c(c1)c1CCCC3c1n2CCN3

STK530254
Synonyms: 7-hydroxy-4-(trifluoromethyl)quinolin-2(1H)-one
Smiles: Oc1ccc2c(c1)[nH]c(=O)cc2C(F)(F)F

STK530255
Synonyms: 3,5-dihydroxynaphthalene-2-carboxylicacid
Smiles: OC(=O)c1cc2cccc(c2cc1O)O

STK835233
Synonyms: 7-hydroxy-4-methylquinolin-2(1H)-one
Smiles: Oc1ccc2c(c1)[nH]c(=O)cc2C

STK530256
Synonyms: 10-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazol-7-amine
Smiles: Nc1ccc(c2c1c1CCCC3c1n2CCN3)C

STK530257
Synonyms: methyl4-{[(4-chlorophenyl)(dimethoxyphosphoryl)methyl]amino}benzoate
Smiles: COP(=O)(C(c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)OC)OC

STK530259
Synonyms: 2,2'-(9-pentyl-9H-carbazole-3,6-diyl)diaceticacid
Smiles: CCCCCn1c2ccc(cc2c2c1ccc(c2)CC(=O)O)CC(=O)O

STK530261
Synonyms: 3-[3-bromo-5-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl]propanoicacid
Smiles: COC(=O)c1cn(CCC(=O)O)c(=O)c(c1)Br

STK801742
Synonyms: 4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: COc1ccc2c(c1)c(c[nH]2)c1csc(n1)N

STK835235
Synonyms: bis(2-hydroxy-4-methoxyphenyl)methanone
Smiles: COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC

STK835237
Synonyms: N-benzyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCc1ccccc1

STK530269
Synonyms: N~2~-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-N-(2-methylphenyl)glycinamide
Smiles: O=C(Nc1ccccc1C)CNC1=NC(C)(C)Cc2c1cccc2

STK530270
Synonyms: 2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)butanedioicacid
Smiles: OC(=O)CC(C1=C(O)CC(CC1=O)(C)C)C(=O)O

STK835238
Synonyms: 1-[5-(benzyloxy)-2-methyl-1-benzofuran-3-yl]ethanone
Smiles: CC(=O)c1c(C)oc2c1cc(OCc1ccccc1)cc2

STK835240
Synonyms: 4-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline
Smiles: CC(c1ccc(cc1)c1nc2ccc3c(c2c2c1CCC2)cccc3)C

STK530276
Synonyms: 6-methyl-2-(2-methylpropyl)pyridin-3-ol
Smiles: CC(Cc1nc(C)ccc1O)C

STK835247
Synonyms: ethyl(8-imino-2,3,5,6,7,8-hexahydrodicyclopenta[b,e]pyridin-4(1H)-yl)acetate
Smiles: CCOC(=O)Cn1c2CCCc2c(=N)c2c1CCC2

STK530279
Synonyms: methyl5-bromo-1-[2-(dimethylamino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(CCN(C)C)c(=O)c(c1)Br

STK530284
Synonyms: 1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-3-(piperidin-1-yl)propan-2-ol
Smiles: OC(CN1CCn2c3C1CCCc3c1c2ccc(c1)C)CN1CCCCC1

STK530285
Synonyms: 1-[1-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-oxo-3-(propan-2-yl)imidazolidin-4-yl]-1-hydroxy-3-propan-2-ylurea
Smiles: CC(NC(=O)N(C1N(C(C)C)C(=O)N(C1(C)C)Cc1ccc2c(c1)OCO2)O)C

STK530286
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)methanamine
Smiles: c1ccc2c(c1)C(CNCC1COc3c(O1)cccc3)OCC2

STK530289
Synonyms: pentachlorobenzenethiol
Smiles: Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl

STK530290
Synonyms: 9H-carbazol-3-ylaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1ccccc1[nH]2

STK530292
Synonyms: 2,2'-(quinazoline-2,4-diyldiimino)dibenzoicacid
Smiles: OC(=O)c1ccccc1Nc1nc(Nc2ccccc2C(=O)O)c2c(n1)cccc2

STK530293
Synonyms: 3-(ethyl{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}amino)propanenitrile
Smiles: N#CCCN(CCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)CC

STK835249
Synonyms: 2-{[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]amino}-1-(2-methyl-1H-indol-3-yl)ethanone
Smiles: CCOCc1cnc(nc1NCC(=O)c1c(C)[nH]c2c1cccc2)C

STK530294
Synonyms: (9aR)-1-benzyl-9,9,9a-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
Smiles: O=C1CN2[C@@](N1Cc1ccccc1)(C)C(c1c2cccc1)(C)C

STK835251
Synonyms: 4,6-dimethylfuro[2,3-d]pyrimidin-2-ol
Smiles: Oc1nc(C)c2c(n1)oc(c2)C

STK530296
Synonyms: (3,4-dimethoxyphenyl)(8-hydroxy-4-methoxynaphthalen-1-yl)methanone
Smiles: COc1cc(ccc1OC)C(=O)c1ccc(c2c1c(O)ccc2)OC

STK530299
Synonyms: 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCC(CC1)Cc1ccccc1)O)c(n2C)C

STK530300
Synonyms: 8-tert-butyl-1,4-dimethyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cn1c(=O)c2c3CCC(Cc3sc2n2c1nnc2C)C(C)(C)C

STK530301
Synonyms: ethyl5-methoxy-3-({[4-(3-methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: CCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCN(CC1)CC(=O)Nc1c([nH]c2c1cc(OC)cc2)C(=O)OCC

STK530302
Synonyms: 7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCC1(C)OCc2c(C1)c1c(=O)n(C)c3n(c1s2)cnn3

STK835254
Synonyms: methyl(5Z)-2,2-dimethyl-5-{[(4-nitrophenyl)amino]methylidene}-4,6-dioxocyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C\Nc2ccc(cc2)[N+](=O)[O-])/C(=O)CC1(C)C

STK530303
Synonyms: 3-bromo-5-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-2H-pyran-2-one
Smiles: O=C(N1CCCc2c1cccc2)c1coc(=O)c(c1)Br

STK530308
Synonyms: 1-ethyl-2-(4-methoxyphenyl)-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazine
Smiles: CCc1c(cn2c1c1cccn1CC2)c1ccc(cc1)OC

STK530310
Synonyms: N'-(1,3-benzoxazol-2-yl)benzohydrazide
Smiles: O=C(c1ccccc1)NNc1nc2c(o1)cccc2

STK835258
Synonyms: 9-ethyl-9H-carbazol-3-amine
Smiles: CCn1c2ccc(cc2c2c1cccc2)N

STK835260
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccccc1n1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK835262
Synonyms: (3E)-3-{[(4-methylcyclohexyl)amino]methylidene}-1,3-dihydro-2H-indol-2-one
Smiles: CC1CCC(CC1)N/C=C\1/C(=O)Nc2c1cccc2

STK530313
Synonyms: ethyloxo(3-oxo-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetate
Smiles: CCOC(=O)C(=O)C1Cc2c(C1=O)[nH]c1c2cccc1

STK530316
Synonyms: methyl(5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(propan-2-ylamino)ethylidene]cyclohexanecarboxylate
Smiles: COC(=O)C1C(=O)/C(=C(\NC(C)C)/C)/C(=O)CC1(C)C

STK530318
Synonyms: 1-[(4-butoxyphenyl)carbonyl]proline
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCCC1C(=O)O

STK530319
Synonyms: bis(2-methylpropyl)D-glutamate
Smiles: CC(COC(=O)CC[C@H](C(=O)OCC(C)C)N)C

STK530328
Synonyms: 7-ethyl-1-(ethylsulfanyl)-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC(OC3)(C)CC

STK835271
Synonyms: (2E)-N-[4-(propan-2-yloxy)benzyl]-2-(pyridin-3-ylmethylidene)hydrazinecarbothioamide
Smiles: CC(Oc1ccc(cc1)CNC(=S)N/N=C/c1cccnc1)C

STK530330
Synonyms: 1-(1,2,8-trimethyl-5,6-dihydrodipyrrolo[1,2-a:2',1'-c]pyrazin-3-yl)ethanone
Smiles: CC(=O)c1c(C)c(c2n1CCn1c2ccc1C)C

STK530331
Synonyms: 1,6-bis(hydroxymethyl)-3,4,5,8-tetramethylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
Smiles: OCN1C(=O)N(C)C2C(C1C)C(C)N(C(=O)N2CO)C

STK530336
Synonyms: 2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexanone
Smiles: CC(=O)C1C(=O)CC(C(C1C)C(=O)C)(C)O

STK530340
Synonyms: methyl{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK530344
Synonyms: N-[2-(4-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
Smiles: Fc1ccc(cc1)CCNC(=O)c1c(C)cc(=O)oc1C

STK530345
Synonyms: 2-[(difluoromethyl)sulfonyl]aniline
Smiles: Nc1ccccc1S(=O)(=O)C(F)F

STK530346
Synonyms: (2Z)-2-[(phenylcarbonyl)amino]-3-(pyridin-4-yl)prop-2-enoicacid
Smiles: OC(=O)/C(=C/c1ccncc1)/NC(=O)c1ccccc1

STK530347
Synonyms: 5-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-4,6-dimethyl-2H-pyran-2-one
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)cc(=O)oc1C

STK530348
Synonyms: 6-hydroxy-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(O)nc(c2c1CC(C)(C)OC2)CC(C)C

STK530349
Synonyms: 5-{[(4-chlorophenyl)sulfanyl]methyl}-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboximidamide
Smiles: Clc1ccc(cc1)SCc1[nH]n(c(=O)c1C(=N)N)c1ccccc1

STK835278
Synonyms: methyl3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1,2-benzoxazole-5-carboxylate
Smiles: COC(=O)C1C(=O)c2c(C)noc2CC1(C)C

STK530353
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCCC(C1)(C)C

STK530355
Synonyms: 3-[1-(aminomethyl)-3,4-dihydro-1H-isochromen-1-yl]-N,N-diethylpropan-1-amine
Smiles: CCN(CCCC1(CN)OCCc2c1cccc2)CC

STK835279
Synonyms: N-[3-(6,7-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]acetamide
Smiles: COc1c(OC)ccc2c1C(=O)N(C2)c1cccc(c1)NC(=O)C

STK530357
Synonyms: 2-(cyclododecyloxy)-4,4,6-trimethyl-1,3,2-dioxaborinane
Smiles: CC1OB(OC2CCCCCCCCCCC2)OC(C1)(C)C

STK530365
Synonyms: 1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1c2cc(cc1)F

STK835283
Synonyms: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc2c1cccc2)/c1scc(n1)c1ccc2c(c1)OCO2

STK530374
Synonyms: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-6-methoxy-2-oxo-2H-chromene-3-carboxamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc2cc(OC)ccc2oc1=O

STK530375
Synonyms: ethyl2-[(N,N-diethylglycyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CN(CC)CC)sc2c1CC(C)(C)OC2

STK530379
Synonyms: 2-(3-bromophenyl)-6-chloro-4H-chromen-4-one
Smiles: Clc1ccc2c(c1)c(=O)cc(o2)c1cccc(c1)Br

STK835290
Synonyms: 3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1c1ccccc1)c1c[nH]c2c1cccc2

STK835291
Synonyms: 3-(1H-indol-3-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2

STK530388
Synonyms: ethyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(2-methoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1OC)C(=O)N)C(=O)C

STK530390
Synonyms: (2E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2cc(ccc2O)[N+](=O)[O-])ccc1OC

STK530392
Synonyms: 4-(methylamino)-4-oxo-2-[4-(propan-2-yloxy)phenyl]butanoicacid
Smiles: CNC(=O)CC(c1ccc(cc1)OC(C)C)C(=O)O

STK530393
Synonyms: 2-(furan-2-ylmethyl)-1H-naphtho[2,3-g]indazole-3,6,11(2H)-trione
Smiles: O=c1n(Cc2ccco2)[nH]c2c1ccc1c2c(=O)c2c(c1=O)cccc2

STK530395
Synonyms: 3-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxyamino)-5,5-dimethyl-1,3-thiazolidine-2-thione
Smiles: ONC1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C

STK835297
Synonyms: 5-(4-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Smiles: COc1ccc(cc1)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)C)cccc3

STK530397
Synonyms: 4,4',4'',4''',4'''',4'''''-[benzene-1,2,3,4,5,6-hexaylhexakis(carbonylimino)]hexabenzenesulfonicacid
Smiles: O=C(c1c(C(=O)Nc2ccc(cc2)S(=O)(=O)O)c(C(=O)Nc2ccc(cc2)S(=O)(=O)O)c(c(c1C(=O)Nc1ccc(cc1)S(=O)(=O)O)C(=O)Nc1ccc(cc1)S(=O)(=O)O)C(=O)Nc1ccc(cc1)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)O

STK530398
Synonyms: 1,4a-diphenyl-4,4a-dihydropyrido[1,2-a]benzimidazol-8(3H)-one
Smiles: O=C1C=CC2=NC3(N(C2=C1)C(=CCC3)c1ccccc1)c1ccccc1

STK530400
Synonyms: 6-methyl-4-phenyl-1-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC(Sc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3)C

STK530401
Synonyms: 5-[(2,6-dimethylmorpholin-4-yl)carbonyl]-2H-pyran-2-one
Smiles: CC1OC(C)CN(C1)C(=O)c1ccc(=O)oc1

STK835299
Synonyms: 2-amino-5-(4-methoxybenzyl)pyrimidine-4,6-diol
Smiles: COc1ccc(cc1)Cc1c(O)nc(nc1O)N

STK530409
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-methyl-1H-indol-3-yl)acetamide
Smiles: O=C(Nc1c(C)[nH]c2c1cccc2)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK530410
Synonyms: 1-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]cyclohexanol
Smiles: CN1CCN(CC1)CC#CC1(O)CCCCC1

STK530411
Synonyms: 4-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)N1CCN(CC1)c1ccc(cc1)F

STK530412
Synonyms: methyl5-bromo-1-(furan-2-ylmethyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
Smiles: COC(=O)c1cn(Cc2ccco2)c(=O)c(c1)Br

STK835305
Synonyms: (2E)-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-3-[(2-nitrophenyl)amino]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C

STK530421
Synonyms: (2E,4E)-5-(4-iodophenyl)-3-methylpenta-2,4-dienoicacid
Smiles: C/C(=C\C(=O)O)/C=C/c1ccc(cc1)I

STK835307
Synonyms: 2-[(1S,4R)-bicyclo[2.2.1]hept-2-yl]benzene-1,4-diol
Smiles: Oc1ccc(c(c1)C1C[C@@H]2C[C@H]1CC2)O

STK530423
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
Smiles: Fc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STK530424
Synonyms: 2,2'-(9-methyl-9H-carbazole-3,6-diyl)diaceticacid
Smiles: OC(=O)Cc1ccc2c(c1)c1cc(ccc1n2C)CC(=O)O

STK530427
Synonyms: 8-(1,3-benzodioxol-5-yloxy)-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)Cc1ccccc1

STK835308
Synonyms: 5-[2-(4-methylphenyl)-2-oxoethyl]-2-thioxoimidazolidin-4-one
Smiles: O=C(c1ccc(cc1)C)CC1NC(=S)NC1=O

STK835309
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanone
Smiles: CC(=O)C1COc2c(O1)cccc2

STK530429
Synonyms: 1-[3-(3,4-dihydroquinolin-1(2H)-yl)-2-hydroxypropyl]guanidine
Smiles: OC(CN1CCCc2c1cccc2)CNC(=N)N

STK530430
Synonyms: 1,9-bis(4-methoxyphenyl)-2,5,8-trimethyl-2,3,4,5,6,7,8,9-octahydro-1H-pyrrolo[3,2-c:4,5-c']dipyridine
Smiles: COc1ccc(cc1)C1N(C)CCc2c1c1C(N(C)CCc1n2C)c1ccc(cc1)OC

STK530431
Synonyms: [1-(2-methylphenyl)-3-oxo-3-(thiophen-2-yl)propyl]propanedinitrile
Smiles: N#CC(C(c1ccccc1C)CC(=O)c1cccs1)C#N

STK835312
Synonyms: 4-(bicyclo[2.2.1]hept-2-yl)cyclohexane-1,2-diol
Smiles: OC1CCC(CC1O)C1CC2CC1CC2

STK835320
Synonyms: 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
Smiles: O=C(c1ccccc1)Cn1cc(c2c1cccc2)C

STK530437
Synonyms: 5,5'-(quinolin-2-ylmethanediyl)bis(1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
Smiles: O=C1N(C)C(=S)N(C(=O)C1C(C1C(=O)N(C)C(=S)N(C1=O)C)c1ccc2c(n1)cccc2)C

STK835322
Synonyms: 5-propanoylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(=O)C1C(=O)NC(=O)NC1=O