FULL DB

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

STK583361
Synonyms: 7-(2,6-dichlorobenzyl)-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC1CCCCN1Cc1nc2c(n1Cc1c(Cl)cccc1Cl)c(=O)n(c(=O)n2C)C

STK583362
Synonyms: 3-cyclohexyl-2-(2,4-dichlorophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Clc1ccc(c(c1)Cl)c1nc2c(c(=O)n1C1CCCCC1)c(=O)c1c(n2C)cccc1

STK583363
Synonyms: 2-ethyl-N-[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1CCc1ccc(cc1)OC)CS(=O)(=O)C2)CC

STK583364
Synonyms: (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hydroxy-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: OC1=N/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C(=O)N1c1ccccc1

STK583366
Synonyms: N-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)Cl

STK583367
Synonyms: N-(2-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccccc1Br

STK583368
Synonyms: 7-(3-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=O)n2C)C

STK583369
Synonyms: ethylN-({[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK583370
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK583371
Synonyms: 2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F

STK583372
Synonyms: (4E)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(F)(F)F)/C=C/c1ccccc1

STK583375
Synonyms: 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK583377
Synonyms: 5-(2-methoxyphenyl)-4-{[(E)-(3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK583379
Synonyms: 4-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)Cc1cc2ccc(cc2[nH]c1=O)C

STK583383
Synonyms: 1-(4-methoxyphenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)OC)S

STK583385
Synonyms: N-{[(2Z)-4-(naphthalen-1-yl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}-2-phenoxyacetamide
Smiles: O=C(NC(=S)/N=c/1\scc([nH]1)c1cccc2c1cccc2)COc1ccccc1

STK583386
Synonyms: 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nnc1Cc1cccs1

STK583388
Synonyms: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-4-ylmethyl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCc1ccncc1

STK583390
Synonyms: 5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK583392
Synonyms: 4-nitro-N'-[(E)-quinoxalin-6-ylmethylidene]benzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N/N=C/c1ccc2c(c1)nccn2

STK583393
Synonyms: 2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NCc1cccnc1

STK583394
Synonyms: (3a'S,6a'R)-5'-(1,3-benzodioxol-5-yl)-3'-(1H-indol-3-ylmethyl)-5-nitro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK583395
Synonyms: (3a'S,6a'R)-5'-benzyl-5-fluoro-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(cc1)O)C(=O)N2

STK583398
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-bromophenyl)-7-chloro-5-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2Cl

STK583399
Synonyms: 4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OC

STK583400
Synonyms: (5E)-3-(2-chlorophenyl)-5-({[3-(dimethylamino)propyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O)C

STK583401
Synonyms: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C)C

STK583402
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK583403
Synonyms: 3-[(3a'S,6a'R)-5'-(butan-2-yl)-7-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2Cl)C

STK583404
Synonyms: 2-(ethylsulfanyl)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccc(c1)OC

STK583405
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK583407
Synonyms: N-(4-chlorophenyl)-2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)N=C2C(=C(O)CCC2)C1c1ccc(cc1)Cl

STK583410
Synonyms: 3-(2-chlorobenzyl)-8-(4-chlorophenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK583411
Synonyms: 1'-ethyl-6'-nitro-1,2'-diphenyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=O)N(C2=O)c1ccccc1)[N+](=O)[O-]

STK583413
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK583414
Synonyms: N-[(3E)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-fluorobenzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1ccccc1c2

STK583415
Synonyms: 1-(4-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)c1ccc(cc1)Br

STK583416
Synonyms: 4-nitro-N-{[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]carbamothioyl}benzamide
Smiles: S=C(/N=c\1/scc([nH]1)c1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK583417
Synonyms: N-[(1Z)-1-{1-cyano-2-[(2,5-dimethylphenyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C(=O)Nc1cc(C)ccc1C

STK583418
Synonyms: (4E)-1-hexyl-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CCCCCCN1C(c2ccccc2)/C(=C(/c2ccccc2)\O)/C(=O)C1=O

STK583419
Synonyms: N-(3-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK583420
Synonyms: 2-ethyl-3-methyl-1-[(2E)-2-(quinolin-8-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cccc3c1nccc3)c1ccccc1n2

STK583421
Synonyms: 4-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3NCc1cccnc1)C

STK583425
Synonyms: 5-(3,4-dimethoxyphenyl)-6-hydroxy-1,3,8,8-tetramethyl-5,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C

STK583426
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(4-chlorophenyl)-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK583427
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-methyl-4-nitrobenzamide
Smiles: Cc1nn(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STK583428
Synonyms: 3-(2-methoxyethyl)-10-methyl-2-phenylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1

STK583429
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccc(cc1)Cl

STK583430
Synonyms: N-(3-hydroxypropyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK583431
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583432
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK583433
Synonyms: (4E)-6-[(2-ethylphenyl)amino]-4-[(2-ethylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl4-methylpiperidine-1-carbodithioate
Smiles: CCc1ccccc1Nc1nc(n/c(=N/c2ccccc2CC)/[nH]1)SC(=S)N1CCC(CC1)C

STK583434
Synonyms: N-hexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: CCCCCCNC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK583435
Synonyms: 8-benzyl-5-(pyrrolidin-1-yl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(nc2n1nnn2)N1CCCC1

STK583437
Synonyms: (3,5-dichlorophenyl)(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Smiles: Clc1cc(Cl)cc(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

STK583438
Synonyms: 2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)NCc1ccccn1

STK583441
Synonyms: 4-ethyl-9-(pyridin-3-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CCc1cc(=O)oc2c1ccc1c2CN(CO1)Cc1cccnc1

STK583442
Synonyms: N-(2-bromophenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccc(cc1)Cl

STK583446
Synonyms: 6-chloro-4-ethyl-9-[3-(2-oxopyrrolidin-1-yl)propyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)CCCN1CCCC1=O

STK583448
Synonyms: methylN-[(2,4-dimethoxyphenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1OC)OC

STK583449
Synonyms: 2-(furan-2-yl)-10-methyl-3-propylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccco1

STK583451
Synonyms: 5-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-phenylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccccc1

STK583452
Synonyms: 5-(3-chlorobenzyl)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-methylpyrimidin-4-ol
Smiles: Clc1cccc(c1)Cc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)ccc(c2)C

STK583455
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(1E)-1-(4-methoxy-3-nitrophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N)/C

STK583457
Synonyms: methyl(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
Smiles: COC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK583459
Synonyms: 6-(4-chlorophenyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccccc2)ncn3)C1)O

STK583460
Synonyms: (8S,8aR,11aS)-10-(3,5-dimethylphenyl)-9,11-dioxo-N-[3-(trifluoromethyl)phenyl]-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2cccc(c2)C(F)(F)F)C=Cc2c1cccc2

STK583461
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK583462
Synonyms: (4E)-2-(2,5-dimethoxyphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2)OC

STK583463
Synonyms: methyl4-methoxy-3-[(9-methoxy-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)methyl]benzoate
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1cc(ccc1OC)C(=O)OC

STK583464
Synonyms: methyl3,3,3-trifluoro-2-[(2-phenylethyl)amino]-N-1,3-thiazol-2-ylalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nccs1)NCCc1ccccc1

STK583466
Synonyms: (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-{[1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccccc2O)C)/C1=O)O

STK583468
Synonyms: 8-(3-methoxyphenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK583469
Synonyms: 2-(3-methoxyphenyl)-7,7-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1cccc(c1)c1nc(SCCc2ccccc2)c2c(n1)CC(OC2)(C)C

STK583472
Synonyms: 3-[6-(2-bromo-4,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(C)cc(cc1Br)C

STK583473
Synonyms: N-(4-ethylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK583474
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK583475
Synonyms: methylN-[(3-chlorophenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cccc(c1)Cl

STK583477
Synonyms: 3-[4-(morpholin-4-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCOCC1)CCCn1nnc2c(c1=O)cccc2

STK583478
Synonyms: (2E)-3-(2-chlorophenyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccccc1Cl

STK583479
Synonyms: 1'-butyl-2'-hydroxy-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: CCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)O

STK583480
Synonyms: 2-[(2,2-diethoxyethyl)sulfanyl]-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)CC)OCC

STK583481
Synonyms: [(5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C1=O

STK583482
Synonyms: N-(1,3-benzodioxol-5-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK583483
Synonyms: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK583484
Synonyms: 2-(2,4-diethoxyphenyl)-5,6,7,8-tetrahydroquinoxaline1,4-dioxide
Smiles: CCOc1cc(OCC)ccc1c1c[n+]([O-])c2c([n+]1[O-])CCCC2

STK583485
Synonyms: N-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-6-methyl-5-oxo-2,5-dihydropyridazin-3-yl]-4-fluorobenzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)F)c1ccc(cc1)Cl

STK583486
Synonyms: 2-(4-chlorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
Smiles: Clc1ccc(cc1)c1nn2c(n1)c1c(C2)cccc1

STK583487
Synonyms: N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]benzenesulfonamide
Smiles: COc1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[nH]2

STK583488
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccc(cc1)Cl

STK583489
Synonyms: methylN-[(4-chlorophenyl)carbamoyl]-D-leucinate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(cc1)Cl)CC(C)C

STK583491
Synonyms: 4-(furan-2-yl)-2-methyl-N-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
Smiles: O=C(C1=C(C)N=c2n(C1c1ccco1)c1ccccc1[nH]2)Nc1ccccc1

STK583494
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK583495
Synonyms: 8-(5-chloro-2-methylphenyl)-1,7-dimethyl-3-(2-oxopropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cc(Cl)ccc1C)C

STK583496
Synonyms: 3-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(F)cc1

STK583497
Synonyms: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1cc(C)nc(n1)n1[nH]c2c(c1=O)c(O)cc(n2)CSc1nc2c(s1)cccc2

STK583498
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1c(/C=N/Nc2ncnc3c2c(cs3)c2ccccc2)cccc1OC

STK583499
Synonyms: 5-(3-chlorophenyl)-2-(naphthalen-1-yl)-4-phenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1[nH]c(nc1c1ccccc1)c1cccc2c1cccc2

STK583501
Synonyms: 2-(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(3-methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F

STK583504
Synonyms: (10aS)-2-(4-ethoxyphenyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583505
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK583508
Synonyms: 3-(3,4-dimethylphenyl)-2-methyl-4H-thiochromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: Cc1ccc(cc1C)n1c(C)nc2c(c1=O)c(=O)c1c(s2)cccc1

STK583509
Synonyms: 6-hydroxy-8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C)/C

STK583510
Synonyms: (E)-1-(3,4-dimethoxyphenyl)-N-{[11-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine
Smiles: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)Oc3c(C2c2ccco2)c(C)nn3c2ccccc2)ccc1OC

STK583511
Synonyms: 1-amino-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-[(2-hydroxyethyl)amino]anthracene-9,10-dione
Smiles: OCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c(c2c1C(=O)c1c(C2=O)cccc1)N

STK583512
Synonyms: 4-(2-methylpropyl)-7-(piperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3N1CCNCC1)C

STK583513
Synonyms: N-(4-ethoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)C

STK583515
Synonyms: 6-(furan-2-ylmethyl)-1-(3-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccco1

STK583516
Synonyms: 4-chloro-N-(2-methylpropyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O)C

STK583518
Synonyms: 4-{[(E)-(4-fluorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)F

STK583519
Synonyms: 7-benzyl-10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccccc1

STK583520
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1F)/O

STK583521
Synonyms: 9-(3-fluorophenyl)-6-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK583522
Synonyms: 7-[(2-methylprop-2-en-1-yl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK583524
Synonyms: N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1n1ncnc1)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK583525
Synonyms: (2E,5E)-2-[(4-methoxyphenyl)imino]-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1ccc(cc1)/N=C\1/S/C(=C/C=C/c2ccccc2)/C(=N1)O

STK583526
Synonyms: 3-(3-chlorophenyl)-5-[(2-methylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1cccc(c1)Cl

STK583529
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583530
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK583532
Synonyms: N'-{(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/NC(=O)c1ccncc1)[N+](=O)[O-]

STK583533
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3,4-dimethoxyphenyl)carbonyl]-3'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(c(c1)OC)OC)C(=O)Nc1c2cccc1)cccc3

STK583534
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C1=O

STK583536
Synonyms: 8-(3,4-dichlorophenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)c2ccccc2cc1

STK583538
Synonyms: N-(1,3-benzodioxol-5-yl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK583539
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK583540
Synonyms: N-[4-(acetylamino)phenyl]-2-hydroxy-7-(4-methoxyphenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)N=C(CC2C(=O)Nc1ccc(cc1)NC(=O)C)O

STK583541
Synonyms: pentyl{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK583543
Synonyms: 3-[4-(piperidin-1-ylsulfonyl)phenyl]-N-[3-(1H-tetrazol-1-yl)phenyl]propanamide
Smiles: O=C(Nc1cccc(c1)n1cnnn1)CCc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK583544
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK583545
Synonyms: 9-(2-chlorophenyl)-6-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK583547
Synonyms: (5E)-6-hydroxy-3-(4-iodophenyl)-5-[(morpholin-4-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NN2CCOCC2)/C1=O)O

STK583548
Synonyms: N-(2-phenylethyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC2)NCCc1ccccc1

STK583549
Synonyms: (3R)-2,2-dimethyl-5-oxo-N-[3-(propan-2-yloxy)propyl]-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC(OCCCNC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK583550
Synonyms: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1/C=N/n1c(=S)[nH]nc1c1ccccn1)Cl

STK583551
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-fluorophenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583553
Synonyms: 1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK583554
Synonyms: 4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COCCN(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2ccc(cc2[nH]c1=O)C

STK583555
Synonyms: 9-(3-fluorophenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)F)ncn3)C1)O

STK583556
Synonyms: 2-chloro-4-(5-{(E)-[1-(3-chlorophenyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)O

STK583557
Synonyms: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: [O-][N+](=O)c1c(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc2n(c1=O)C

STK583558
Synonyms: 7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)c1noc(c1)C

STK583559
Synonyms: 1-(3-chlorophenyl)-6-(2-methoxyethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1)Cl)S

STK583561
Synonyms: 6-[2-(benzyloxy)ethyl]-9-methoxy-6H-indolo[2,3-b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOCc1ccccc1

STK583562
Synonyms: 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1)(C)C

STK583563
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(4-chlorophenyl)carbonyl]-5''-ethyl-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK583564
Synonyms: (4-chlorophenyl){4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N+](=O)[O-]

STK583565
Synonyms: 3-[11-(4-tert-butylphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-benzofuran-1(3H)-one
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(cc2)C(C)(C)C)C2OC(=O)c4c2cccc4)cccc3)CC(C1)(C)C

STK583566
Synonyms: 4-methoxy-N'-{(E)-[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1H-indole-2-carbohydrazide
Smiles: C=CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cccc2OC

STK583567
Synonyms: 3-(butylsulfanyl)-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: CCCCSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK583568
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK583569
Synonyms: N-(3-chlorophenyl)-1-(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)Cl)c1ccc(cc1)Cl

STK583570
Synonyms: 4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK583571
Synonyms: (4E)-2-(4-bromophenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)Br)C(=O)c2c1cccc2

STK583572
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1ccccc1Cl

STK583573
Synonyms: 2-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)Cl

STK583574
Synonyms: 1,6-dioxo-1,6-bis[(tetrahydrofuran-2-ylmethyl)amino]hexane-2,3,4,5-tetrayltetraacetate(non-preferredname)
Smiles: CC(=O)OC(C(C(=O)NCC1CCCO1)OC(=O)C)C(C(C(=O)NCC1CCCO1)OC(=O)C)OC(=O)C

STK583576
Synonyms: 9-(2,3-dimethoxyphenyl)-6-(2-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cccc(c1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK583577
Synonyms: (5Z)-5-(3,4-dihydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccc(c(c2)O)O)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C

STK583578
Synonyms: ethyl4-({4-[(hexyloxy)carbonyl]phenyl}amino)-6-methylquinoline-3-carboxylate
Smiles: CCCCCCOC(=O)c1ccc(cc1)Nc1c(cnc2c1cc(C)cc2)C(=O)OCC

STK583579
Synonyms: N-(3-fluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: Fc1cccc(c1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK583581
Synonyms: 8-amino-N-(2-fluoro-4-methylphenyl)-3,4-dihydro-2H-1,4-ethanothieno[2,3-b][1,5]naphthyridine-7-carboxamide
Smiles: Cc1ccc(c(c1)F)NC(=O)c1sc2c(c1N)cc1c(n2)C2CCN1CC2

STK583582
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-(furan-2-ylmethyl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NCc1ccco1

STK583583
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK583584
Synonyms: 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)Br

STK583585
Synonyms: (4E)-4-({[3-(diethylamino)propyl]amino}methylidene)-2-(2,5-dimethoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(OC)ccc1OC)CC

STK583586
Synonyms: (4E)-5-(4-ethylphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STK583587
Synonyms: N-{4-[(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK583588
Synonyms: 4-{(E)-[5-iminio-2-(4-methylpiperidin-1-yl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenolate
Smiles: CC1CCN(CC1)c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)[O-])/C2=[NH2+])s1

STK583589
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK583590
Synonyms: 4-{[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cc(Br)c(c(c1)OC)O

STK583591
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnc(s1)SCc1ccccc1

STK583593
Synonyms: 8-[4-(4-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)F)C

STK583594
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-benzyl-5-chloro-7-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK583595
Synonyms: N-[3-(4-bromophenyl)-4-oxo-4H-thiochromen-2-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1c1ccc(cc1)Br

STK583599
Synonyms: 3-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1cccnc1

STK583601
Synonyms: (3a'S,6a'R)-5-chloro-5'-(2,3-dihydro-1,4-benzodioxin-6-yl)-3'-(3,4-dihydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1ccc(c(c1)O)O)C(=O)N2

STK583602
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)N1CCOCC1)c1cccc(c1)Cl

STK583603
Synonyms: 8-amino-3-benzyl-2',6'-dihydroxy-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N)ccc1N1C2CN(CC1)Cc1ccccc1

STK583604
Synonyms: 2,5-dimethyl-6-(2-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nn2c(n1)nc(c(c2O)Cc1ccccc1C)C

STK583605
Synonyms: 2-({4-amino-5-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK583606
Synonyms: (5E)-1-(2-chlorophenyl)-5-[(piperidin-1-ylamino)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NN1CCCCC1)c1ccccc1Cl

STK583608
Synonyms: 3-(7-methyl-6H-indolo[2,3-b]quinoxalin-6-yl)propyl2-chlorobenzoate
Smiles: O=C(c1ccccc1Cl)OCCCn1c2nc3ccccc3nc2c2c1c(C)ccc2

STK583609
Synonyms: 16-(3-chloro-5-methoxy-4-propoxyphenyl)-2,3,4,6,7,11,12,16-octahydro-1H,10H-[1,4]dioxepino[2',3':6,7]isoquino[2,1-a]quinolin-1-one
Smiles: CCCOc1c(Cl)cc(cc1OC)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1

STK583610
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OCc1ccccc1

STK583611
Synonyms: (4E)-2-(2-methoxyphenyl)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK583613
Synonyms: 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1)C

STK583614
Synonyms: (E)-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene](2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

STK583615
Synonyms: methyl2-{[(6-methoxy-6-oxohexyl)carbamoyl]amino}benzoate
Smiles: COC(=O)CCCCCNC(=O)Nc1ccccc1C(=O)OC

STK583616
Synonyms: 4-hydroxy-8-(2-hydroxyphenyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: O=c1nc(O)c2c(n1C)nc1n2c(C)c(n1c1ccccc1O)C

STK583617
Synonyms: methyl4-[7-bromo-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)ccc(c1)Br

STK583619
Synonyms: N-[4-(dimethylamino)phenyl]-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)N(C)C

STK583621
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1ccccc1OC

STK583622
Synonyms: (5E)-3-benzyl-5-{1-[(4-fluorophenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1ccc(cc1)F

STK583623
Synonyms: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-[4-(trifluoromethyl)phenyl]ethanone
Smiles: O=C(c1ccc(cc1)C(F)(F)F)/C=C/1\NCCc2c1cc1OCOc1c2

STK583624
Synonyms: (5E)-5-[1-(azepan-1-ylamino)propylidene]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NN1CCCCCC1

STK583626
Synonyms: (3S)-N-{(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxopentan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC(C[C@@H](C(=O)Nc1ccc(cc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK583627
Synonyms: N-{4-[(5-{(Z)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxybenzyl)oxy]phenyl}acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK583630
Synonyms: 7-(4-ethoxy-3-methoxyphenyl)-6-(4-methoxyphenyl)-2-methyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: CCOc1ccc(cc1OC)C1C2=C(Nc3n1ncn3)c1c(OC2c2ccc(cc2)OC)ccc(c1)C

STK583631
Synonyms: (3a'S,6a'R)-3'-(4-hydroxybenzyl)-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cccc2

STK583633
Synonyms: 8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F

STK583635
Synonyms: 1-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)propan-2-one
Smiles: CC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583636
Synonyms: 2-(3-cyclohexyl-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)C1CCCCC1)CCCCC3

STK583637
Synonyms: 2,4-dichloro-N'-{4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1Cl)Cl)CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK583638
Synonyms: 7-heptyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK583640
Synonyms: 4-[(3E)-3-[hydroxy(phenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1cccc(c1)[N+](=O)[O-]

STK583641
Synonyms: 5-(4-chlorophenyl)-1,3-dimethyl-10-(1-methyl-1H-indol-3-yl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3c1cn(c3c1cccc3)C)n(C)c(=O)n(c2=O)C

STK583642
Synonyms: 2-methyl-3-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyrazine1,4-dioxide
Smiles: CCCOc1ccc(cc1)c1c(C)[n+]([O-])c2c([n+]1[O-])CCC2

STK583643
Synonyms: (4E)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1OC

STK583644
Synonyms: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SC/C=C/c1ccccc1

STK583645
Synonyms: 9-(3,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(c(c1)C)C

STK583646
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,4-dimethoxyphenyl)carbonyl]-3'-[(2-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583647
Synonyms: N-[2-(2-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-3-yl)ethyl]-N-ethylacetamide
Smiles: CCN(C(=O)C)CCc1c(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)[nH]c2c1cccc2

STK583648
Synonyms: N-{2-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}benzamide
Smiles: COc1ccccc1CCN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O

STK583649
Synonyms: 8-[(diethylammonio)methyl]-3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-olate
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+](CC)CC)[O-]

STK583651
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-propylhexanamide
Smiles: CCCNC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583654
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1cccc(c1)Cl

STK583656
Synonyms: (4Z)-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCN(CC2)c2ccccc2F)[nH]/c(=N/c2ccccc2)/n1

STK583660
Synonyms: 10-methyl-N-(4-methylphenyl)-8-(4-nitrophenyl)-11-propyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: CCCC1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]

STK583661
Synonyms: 2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-ylN-[(4-methylphenyl)sulfonyl]-L-isoleucinate
Smiles: CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NS(=O)(=O)c1ccc(cc1)C)C

STK583663
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK583665
Synonyms: N'-[(E)-(2,3-dimethoxyphenyl)methylidene]-5-ethoxy-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1cccc(c1OC)OC

STK583666
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583667
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1cccc(c1)[N+](=O)[O-])CC

STK583672
Synonyms: N-{1-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]-3-methyl-1H-pyrazol-5-yl}-3-methyl-4-nitrobenzamide
Smiles: Cc1nn(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])c1nc2c(n1Cc1ccccc1Cl)cccc2

STK583673
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK583675
Synonyms: 1-{[7-(2-methoxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: COCCn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK583676
Synonyms: 6-benzyl-2-[(2-chlorobenzyl)sulfanyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccccc1CSc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C

STK583678
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(Oc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1)C

STK583680
Synonyms: 8,10-dimethyl-4-(4-methylpiperazin-1-yl)-2-propylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)C)n2c(n1)c1c(C)cc(nc1n2)C

STK583681
Synonyms: N-(3,4-dimethoxybenzyl)-2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
Smiles: COc1cc(CNCCC2(CCOC(C2)(C)C)c2cccc(c2)C(F)(F)F)ccc1OC

STK583682
Synonyms: 2-({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3nccs3)nnc2c2c1CC(C)(C)OC2

STK583684
Synonyms: 1,3-dimethyl-7-pentyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK583685
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK583686
Synonyms: N-[(2Z)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK583687
Synonyms: N-(4-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1ccc(cc1)F

STK583688
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1ccccn1)C

STK583689
Synonyms: 1-(2,3-dimethylphenyl)-6-(1-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S)c1ccccc1

STK583691
Synonyms: (E)-(4-chlorophenyl){1-[2-(diethylammonio)ethyl]-2-(2,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1ccc(cc1OC)OC)CC

STK583692
Synonyms: 2-[(2E)-2-(2-carbamothioylhydrazinylidene)cyclohexyl]pyridine-4-carboxylicacid
Smiles: NC(=S)N/N=C/1\CCCCC1c1nccc(c1)C(=O)O

STK583694
Synonyms: (4E)-1-hexadecyl-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)OC)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK583696
Synonyms: 2-ethyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1

STK583697
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1COc1ccc(cc1)Cl

STK583699
Synonyms: N-(3-ethoxypropyl)-8-methyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCOCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK583700
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-tert-butyl-7-chloro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: O=C1[C@@H]2C(Cc3ccccc3)NC3([C@@H]2C(=O)N1C(C)(C)C)C(=O)Nc1c3cccc1Cl

STK583702
Synonyms: 3'-(4-ethylphenyl)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2C(C)OC(C1)C)[N+](=O)[O-])O

STK583703
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK583704
Synonyms: 1-{5-chloro-4-[(3-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylicacid
Smiles: Oc1cccc(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3

STK583705
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK583708
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583709
Synonyms: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-{[1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2cccc(c2)O)C)/C1=O)O

STK583710
Synonyms: (4E)-1-(furan-2-ylmethyl)-4-[hydroxy(3-nitrophenyl)methylidene]-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)Cc1ccco1)/c1cccc(c1)[N+](=O)[O-]

STK583711
Synonyms: N-(4-ethoxyphenyl)-2-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)C(C)C)Cc1cc2ccccc2[nH]c1=O

STK583713
Synonyms: N-[(2E)-3-[4-(diethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CCN(c1ccc(cc1)N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2)CC

STK583714
Synonyms: (3S)-N-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NCc1ccc(cc1)C

STK583715
Synonyms: (5-chloro-6-methyl-1-benzofuran-3-yl)aceticacid
Smiles: OC(=O)Cc1coc2c1cc(Cl)c(c2)C

STK583717
Synonyms: N-(4-fluorophenyl)-2-(2-oxo-5a,11b-dihydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazol-3(6H)-yl)acetamide
Smiles: O=C(Cn1c(=O)sc2c1SCC1C2c2ccccc2OC1)Nc1ccc(cc1)F

STK583718
Synonyms: 6-ethyl-10-methyl-3-[3-(trifluoromethyl)benzyl]-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1cccc(c1)C(F)(F)F

STK583719
Synonyms: 2-(4-phenylpiperazin-1-yl)-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CN1CCN(CC1)c1ccccc1

STK583720
Synonyms: 3-cyclohexyl-N-(3-ethoxy-4-methoxybenzyl)-3-[4-(propan-2-yloxy)phenyl]propan-1-amine
Smiles: CCOc1cc(CNCCC(c2ccc(cc2)OC(C)C)C2CCCCC2)ccc1OC

STK583721
Synonyms: methyl3-{[(3,4-dimethoxyphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)OC)OC)cccc2

STK583722
Synonyms: 8-(3-chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK583724
Synonyms: 12-chloro-3-(pyridin-3-ylmethyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: Clc1cc2c(c3c1OCN(C3)Cc1cccnc1)oc(=O)c1c2CCCC1

STK583725
Synonyms: 3-[(2,6-difluorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(F)cccc1F

STK583726
Synonyms: 7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C

STK583727
Synonyms: ethyl6-ethyl-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc3c1cccc3)cc(cc2)CC

STK583728
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)phenyl]-6-[2-(dimethylamino)ethyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: CN(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1)C

STK583729
Synonyms: 4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Cl

STK583730
Synonyms: N'-{(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1OC)S

STK583731
Synonyms: 6-ethyl-4-[(4-fluorobenzyl)sulfanyl]-6-methyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)F)nc(nc1s2)SC

STK583732
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1C)Cl

STK583733
Synonyms: 5-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(C)c(c(n1)O)Cc1ccccc1

STK583735
Synonyms: 1-(1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)-3-methylthiourea
Smiles: CNC(=S)Nc1ccc2c(c1)CC1(C3N2CCCC3)C(=O)N(C)C(=O)N(C1=O)C

STK583736
Synonyms: methylN-{(1Z)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/C

STK583737
Synonyms: 8-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CN1CCc2c(C1)sc1c2c(NCc2ccncc2)nc2n1nnn2

STK583738
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-3-(2,5-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)OC

STK583739
Synonyms: 4-[(4-fluorophenyl)amino]-1-methyl-3-nitroquinolin-2(1H)-one
Smiles: Fc1ccc(cc1)Nc1c([N+](=O)[O-])c(=O)n(c2c1cccc2)C

STK583740
Synonyms: (1'S,3R,3'S,7a'S)-7''-chloro-1'-[(2-chlorophenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

STK583742
Synonyms: 3-(2-methoxyphenoxy)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCC(C1)C)[O-]

STK583743
Synonyms: N-(4-bromo-3-methylphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583744
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4-chlorobutanamide
Smiles: ClCCCC(=O)/N=c\1/sc2c([nH]1)cccc2

STK583745
Synonyms: 2-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-1-phenylethanone
Smiles: CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n2c1ncn2

STK583746
Synonyms: (2E,5Z)-2-[(2-chlorophenyl)imino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccccc2Cl)/S/C/1=C\C=C\c1ccco1

STK583747
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK583749
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1F)F

STK583753
Synonyms: 1'-cyclohexyl-1-ethyl-2'-hydroxy-2-methyl-2H,4H,4'H-spiro[dipyrido[1,2-a:2',3'-d]pyrimidine-3,5'-pyrimidine]-4',5,6'(1H,1'H)-trione
Smiles: CCN1c2nc3ccccn3c(=O)c2CC2(C1C)C(=O)N=C(N(C2=O)C1CCCCC1)O

STK583756
Synonyms: 1-(4-tert-butylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cccc1

STK583758
Synonyms: propan-2-yl[4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate
Smiles: CC(OP(=O)(C(c1ccccc1F)O)c1ccc(cc1)N(C)C)C

STK583759
Synonyms: 2-{4-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]piperazin-1-yl}ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK583760
Synonyms: 2-{4-[7-(3,4-dichlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]piperazin-1-yl}acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(O)nc(=O)n2C

STK583762
Synonyms: 4-(3,4-dichlorophenyl)-N,1-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(c(c1)Cl)Cl

STK583765
Synonyms: 2-(6-ethyl-1,3-benzothiazol-2-yl)-7-fluoro-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)F

STK583766
Synonyms: 4-{[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)[O-]

STK583767
Synonyms: N-[(2E)-3-[4-(diethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(cc1)N(CC)CC)CS(=O)(=O)C2

STK583768
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-(furan-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3)OC

STK583769
Synonyms: 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK583770
Synonyms: (1S)-1-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
Smiles: C[C@@H](c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)N

STK583771
Synonyms: 8-bromo-N-(4-methylphenyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Cc1ccc(cc1)Nc1ncnc2c1oc1c2cc(cc1)Br

STK583772
Synonyms: 7-[(2,4-dichlorobenzyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK583773
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)phenyl]-6-(3-chloro-4-fluorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)F)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)OCc1ccccc1

STK583775
Synonyms: 4-(5-{(Z)-[2-hydroxy-1-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}furan-2-yl)-3-methylbenzoicacid
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C\c2ccc(o2)c2ccc(cc2C)C(=O)O)/C1=O)O

STK583777
Synonyms: 2-methoxy-4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK583778
Synonyms: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)NC(=O)OCc1ccccc1

STK583779
Synonyms: 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ylN-[(4-methylphenyl)sulfonyl]-beta-alaninate
Smiles: O=C(Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)CCNS(=O)(=O)c1ccc(cc1)C

STK583780
Synonyms: ethyl4-({(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(n1)C

STK583781
Synonyms: N'-{(E)-[4,6-dioxo-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S

STK583783
Synonyms: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl{[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C

STK583784
Synonyms: (1'S,2'S,3R,3a'R)-1'-acetyl-7'-methyl-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK583785
Synonyms: 3-[(3,5-dibromopyridin-2-yl)amino]-2-benzofuran-1(3H)-one
Smiles: Brc1cnc(c(c1)Br)NC1OC(=O)c2c1cccc2

STK583786
Synonyms: N-(furan-2-ylmethyl)-8-propyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2n1nnn2

STK583789
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK583790
Synonyms: 2-ethyl-5-methyl-6-[4-(propan-2-yl)benzyl][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1nn2c(n1)nc(c(c2O)Cc1ccc(cc1)C(C)C)C

STK583791
Synonyms: methylN-[(2-chlorobenzyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1ccccc1Cl

STK583792
Synonyms: 3-butyl-2-(2-methylphenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccccc1C

STK583793
Synonyms: 7-hydroxy-6-(4-methoxyphenyl)-2,9,9-trimethyl-6,8,9,10-tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5-b]quinolin-5(4H)-one
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c1n2nc(n1)C)(C)C

STK583794
Synonyms: methyl2-{[7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl)C

STK583795
Synonyms: 4-(prop-2-en-1-yl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCn1c(=S)[nH]nc1c1ccc2c(n1)cccc2

STK583796
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(3-fluorophenyl)hexanamide
Smiles: O=C(Nc1cccc(c1)F)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583797
Synonyms: (5E)-6-hydroxy-3-(4-methylphenyl)-5-[1-(piperidin-1-ylamino)propylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NN1CCCCC1

STK583799
Synonyms: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/Cl

STK583800
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(3-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK583802
Synonyms: 3-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]quinazolin-4(3H)-one
Smiles: C[C@H](n1cnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccccc1

STK583803
Synonyms: 4-(1,3-benzodioxol-5-yl)-6-hydroxy-2-[(2-methylpropyl)sulfanyl]-4,5-dihydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(C)C)N=C(CC1c1ccc2c(c1)OCO2)O

STK583804
Synonyms: 2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)NCc1ccncc1

STK583806
Synonyms: 1,4-bis(4-methoxyphenyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccc(cc1)OC

STK583807
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK583808
Synonyms: 3-{(2E)-2-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinyl}-5H-[1,2,4]triazino[5,6-b]indole
Smiles: COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)c(n2C)C

STK583809
Synonyms: ethyl(1R,2R,3R)-1,6-dicyano-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)carbonyl]-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)C2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC)C#N

STK583813
Synonyms: 1-(3-bromophenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)Br)nnc1c1cccc(c1)Cl

STK583814
Synonyms: N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2)Cc1ccccc1

STK583815
Synonyms: 5-(3-chlorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1cccc(c1)Cl

STK583817
Synonyms: 1-[11-(furan-2-yl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-methylpropan-1-one
Smiles: CC(C(=O)N1C(c2ccco2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C

STK583818
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C

STK583820
Synonyms: 7,7-dimethyl-2-(4-methylphenyl)-4-(propan-2-ylsulfanyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CC(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C

STK583821
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK583823
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}pyridine-4-carbohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccncc1

STK583826
Synonyms: 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1n1c(=S)[nH]nc1c1ccco1)C(F)(F)F

STK583830
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)OCC)O

STK583831
Synonyms: N-(2,4-difluorophenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK583832
Synonyms: (5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)C

STK583834
Synonyms: 2-(2,6-dichlorobenzyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1c(Cl)cccc1Cl

STK583835
Synonyms: 3-[(2-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1F)COc1ccc(cc1)C

STK583836
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3)OC

STK583837
Synonyms: (4Z)-6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4-[(2-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c\1/[nH]c(CN2CCN(CC2)c2cccc(c2)Cl)nc(n1)N

STK583838
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)C1N(c2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)[N+](=O)[O-])/O

STK583839
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2

STK583840
Synonyms: 4-(butylsulfanyl)-2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: CCCCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)OC

STK583842
Synonyms: 5-(2,3-dihydro-1H-pyrrolo[1,2-a][3,1]benzimidazol-4-ium-4-yl)-2,6-dihydroxypyrimidin-4-olate
Smiles: Oc1nc([O-])c(c(n1)O)[n+]1c2ccccc2n2c1CCC2

STK583843
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc2c(c1)OCCO2

STK583844
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-{[4-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583845
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK583846
Synonyms: 2,2-dimethyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)propanamide
Smiles: Cc1ccc(cc1)N(C(=O)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK583847
Synonyms: N-[7-(4-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
Smiles: CC(=O)Nc1nn2c(n1)NC(CC2c1ccc(cc1)C)c1ccccc1

STK583848
Synonyms: 8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(=O)n(c(=O)n2C)C

STK583849
Synonyms: methylN-{[4-(acetylamino)phenyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)NC(=O)C

STK583850
Synonyms: N-(2-tert-butylphenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1cccc(c1)C

STK583851
Synonyms: N-(4-bromo-2-fluorophenyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1F)Br

STK583852
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-(4-benzylpiperazin-1-yl)acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CN1CCN(CC1)Cc1ccccc1

STK583854
Synonyms: 5-{[(2Z)-5,5-dioxido-3-[4-(trifluoromethoxy)phenyl]tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK583855
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-propoxyphenyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK583856
Synonyms: N-butyl-3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanamide
Smiles: CCCCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583857
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl)C

STK583858
Synonyms: (7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)[4-(trifluoromethyl)phenyl]methanone
Smiles: CC1c2cc3OCCCOc3cc2CCN1C(=O)c1ccc(cc1)C(F)(F)F

STK583861
Synonyms: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl2-{[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)NC(=O)OCc1ccccc1

STK583862
Synonyms: {(5S)-3-[4-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl}aceticacid
Smiles: COc1ccc(cc1NC(=O)[C@@]1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)[N+](=O)[O-]

STK583863
Synonyms: 4-{(2E)-2-[(6-methoxy-1H-indol-3-yl)methylidene]hydrazinyl}-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK583864
Synonyms: 8-ethoxy-3-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1cccnc1

STK583865
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-[(E)-2-phenylethenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)/C=C/c1ccccc1

STK583866
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3,4-dimethoxyphenyl)carbonyl]-3'-[(2-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583867
Synonyms: N'-[(E)-(4-chlorophenyl)methylidene]-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide
Smiles: O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)N/N=C/c1ccc(cc1)Cl

STK583868
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-propylpyrimidin-4-ol
Smiles: CCCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK583869
Synonyms: N-(3,4-difluorophenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1ccccc1F

STK583872
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK583873
Synonyms: 3-[(3-chlorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1cccc(c1)OC)SCc1cccc(c1)Cl

STK583875
Synonyms: 7-chloro-2-(2-hydroxy-2-phenylethyl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK583877
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK583878
Synonyms: 3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n(c1=O)CCN1CCOCC1

STK583879
Synonyms: 2-(4-tert-butylphenyl)-10-methyl-3-propylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)C(C)(C)C

STK583880
Synonyms: (E)-[3-fluoro-4-(propan-2-yloxy)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)F)OC(C)C)/[O-]

STK583882
Synonyms: ethyl4-[1-methyl-3-(3-methylbutyl)-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK583883
Synonyms: 8-(3-chlorophenyl)-3-(2-fluorobenzyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK583885
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccccc1

STK583886
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-4,5-dimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1c(OC)ccc2c1cc([nH]2)C(=O)N/N=C/c1ccccc1O

STK583889
Synonyms: (4Z)-4-[(2,4-dimethylphenyl)imino]-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2C)C)/[nH]1

STK583891
Synonyms: 2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(3,4-dimethoxyphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2

STK583892
Synonyms: 8-(4-ethylphenyl)-4-hydroxy-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: CCc1ccc(cc1)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK583895
Synonyms: (1'R,2'R)-2'-(3-chlorophenyl)-7'-fluoro-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Fc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1cccc(c1)Cl

STK583896
Synonyms: 2-{5-[(3-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Fc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583897
Synonyms: N-(3-chlorophenyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1cccc(c1)Cl

STK583898
Synonyms: 2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK583900
Synonyms: 5,9-dimethyl-2-[3-(propan-2-yloxy)phenyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1cccc(c1)OC(C)C

STK583902
Synonyms: 5-{[4-(2-amino-2-oxoethoxy)-3-methoxybenzyl]amino}-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1cc(CNc2ccc(c(c2)C(=O)[O-])[NH+]2CCOCC2)ccc1OCC(=O)N

STK583903
Synonyms: N-(2,5-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccccc1

STK583905
Synonyms: 1,3-dimethyl-7-(3-methylbenzyl)-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK583906
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK583907
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/C(=C/c1ccccc1)/C

STK583908
Synonyms: N-[(2Z)-3-(3-bromophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: Brc1cccc(c1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK583909
Synonyms: 3-(4-chlorophenyl)-7-methyl-2-[(pyridin-4-ylmethyl)amino]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)NCc1ccncc1)c1ccc(cc1)Cl

STK583910
Synonyms: (8S,8aR,11aS)-10-(3,5-dichlorophenyl)-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK583911
Synonyms: (3a'S,6a'R)-5-fluoro-3'-[2-(methylsulfanyl)ethyl]-5'-(2-phenylethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(F)cc1

STK583912
Synonyms: 4-methoxy-N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O

STK583913
Synonyms: 7'-{[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCCN1C(=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

STK583914
Synonyms: 3-(3-chlorophenyl)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1OC)CCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK583916
Synonyms: N-(3-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1Cc1cccs1

STK583917
Synonyms: 2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nnc(o1)[C@@H](N)C)CC

STK583920
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-methoxybenzyl)hexanamide
Smiles: COc1ccc(cc1)CNC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583924
Synonyms: 2-cyano-N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: N#CCC(=O)/N=C/1\SC2C(N1c1cccc(c1)OC)CS(=O)(=O)C2

STK583925
Synonyms: (1'R,2'S)-7'-chloro-2'-(2-fluorophenyl)-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2cccs2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1F

STK583927
Synonyms: 4-{[2-(2-hydroxy-3-methoxyphenyl)quinazolin-4-yl]oxy}benzonitrile
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)C#N)c2c(n1)cccc2

STK583928
Synonyms: N-[3-(2-chlorophenyl)-1-ethyl-4-oxo-1,4-dihydroquinolin-2-yl]-4-nitrobenzamide
Smiles: CCn1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])c(c2ccccc2Cl)c(=O)c2c1cccc2

STK583930
Synonyms: (1'S,3R,3'S,7a'S)-5''-fluoro-1'-[(2-methoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK583931
Synonyms: 2-[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-[2-(morpholin-4-yl)ethyl]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)cc2c1ccccc1)NCCN1CCOCC1

STK583933
Synonyms: 2-(benzylamino)-4-(dimethylamino)pyridine-3-carbonitrile
Smiles: N#Cc1c(nccc1N(C)C)NCc1ccccc1

STK583934
Synonyms: N-[(1Z)-1-{1-cyano-2-oxo-2-[(1-phenylethyl)amino]ethylidene}-1H-isoindol-3-yl]-2-fluorobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1F)/C(=O)NC(c1ccccc1)C

STK583935
Synonyms: 4-[(4-fluorophenyl)carbonyl]-2-(2-methyl-4-nitrophenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STK583936
Synonyms: 2-{[4-(4-acetylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: CC(=O)c1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2

STK583937
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-5-(2-methylcyclohexyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: CC1CCCCC1N1CNC(=NC1)/N=c/1\sc2c([nH]1)cccc2

STK583938
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2,1,3-benzoxadiazole-4-sulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1c(c2)cccc1C

STK583939
Synonyms: (3a'S,6a'R)-5'-(3-bromophenyl)-5-fluoro-3'-(4-hydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Br)Cc1ccc(cc1)O)C(=O)N2

STK583940
Synonyms: 2-[(3a'S,6a'R)-5'-tert-butyl-7-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK583941
Synonyms: 3-[10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]naphthalen-2-ol
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1cc2ccccc2cc1O)c1ccccc1

STK583942
Synonyms: 9-benzyl-2-[3-(propan-2-yloxy)phenyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(Oc1cccc(c1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1)C

STK583943
Synonyms: 1-(3-methoxyphenyl)-7-methyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK583947
Synonyms: N-(furan-2-ylmethyl)-3-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccco1

STK583950
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK583952
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCSc1nc2c(n1CCOC)c(O)nc(=O)n2C

STK583954
Synonyms: 7'-[(E)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1C

STK583957
Synonyms: {[(4-fluorophenyl)amino][(3-methylbenzyl)sulfanyl]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1cccc(c1)C)C#N

STK583959
Synonyms: (3S,3'S,3a'R,6a'S)-5-bromo-3'-(2-methylpropyl)-5'-(prop-2-en-1-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cc(Br)cc2

STK583960
Synonyms: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CN(CC(C1)C)Cc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK583963
Synonyms: 4-methoxy-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1onc(c1)c1ccc(cc1)C

STK583965
Synonyms: 4,6,7-trimethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)c(OC)c(cc2OC)OC

STK583966
Synonyms: tert-butyl[(1S)-1-{5-[(4-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-3-methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)F)NC(=O)OC(C)(C)C)C

STK583968
Synonyms: methylN-{(E)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STK583973
Synonyms: 2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyrazine1,4-dioxide
Smiles: CCCOc1ccc(cc1)c1c[n+]([O-])c2c([n+]1[O-])CCC2

STK583974
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583978
Synonyms: 2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK583979
Synonyms: (10aS)-2-[4-(propan-2-yl)phenyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Smiles: CC(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK583980
Synonyms: N-{4-[(furan-2-ylmethyl)(tetrahydrofuran-2-ylmethyl)sulfamoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccco1)CC1CCCO1

STK583981
Synonyms: N-(3-fluoro-4-methylphenyl)-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1c1ccccc1)c1ccccc1F

STK583983
Synonyms: 1-(4-methoxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK583989
Synonyms: N'-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)CC

STK583991
Synonyms: N-(3,5-dimethoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1cccc(c1)C

STK583992
Synonyms: 1-(3-fluorophenyl)-2-(pyridin-3-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK583993
Synonyms: (3S)-N-[(1R)-2-oxo-1-phenyl-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCCNC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK583994
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccnc1

STK583995
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583996
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccc(cc1)Cl

STK583997
Synonyms: 1-methyl-7'-nitro-2'-phenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CC(C1)c1ccccc1)[N+](=O)[O-]

STK583998
Synonyms: 4-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STK584000
Synonyms: 4-(2,3-dimethoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: COc1cccc(c1OC)C1CC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STK584002
Synonyms: 1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-(thiophen-2-yl)piperazine-2,5-dione
Smiles: Cc1ccc(cc1)N1C(=O)CN(C(=O)C1c1cccs1)c1c(C)cccc1C

STK584003
Synonyms: 5-benzyl-3-(3-bromo-4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccc(c(c1)Br)F)c1ccccc1

STK584004
Synonyms: 9-benzyl-2-(furan-2-yl)-5-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1nc(n2)c1ccco1)CCN(C3)Cc1ccccc1

STK584006
Synonyms: 4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1O

STK584008
Synonyms: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-bromophenyl)-3-(1,3-thiazol-2-yl)-3,5-dihydro-4H-imidazol-4-one
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/N=C(N1c1nccs1)c1ccccc1Br

STK584009
Synonyms: (2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(phenylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK584010
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1c1cccc(c1)C

STK584014
Synonyms: (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-({1-[3-(2-methoxyphenoxy)propyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK584016
Synonyms: 5,6-bis(4-methoxyphenyl)-N-(pyridin-2-yl)furo[2,3-d]pyrimidin-4-amine
Smiles: COc1ccc(cc1)c1c(oc2c1c(ncn2)Nc1ccccn1)c1ccc(cc1)OC

STK584018
Synonyms: 7-(2-methylpropyl)-14H-chromeno[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Smiles: CC(Cc1nc2oc3ccccc3c(=O)c2c2n1c1ccccc1n2)C

STK584019
Synonyms: 2-(3-methoxyphenyl)-7,7-dimethyl-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1cccc(c1)c1nc(SCCN2CCOCC2)c2c(n1)CC(OC2)(C)C

STK584020
Synonyms: N-[(2E)-3-benzyl-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)CCCc1ccccc1

STK584021
Synonyms: 3-[(3a'S,6a'R)-2,4',6'-trioxo-5'-(2-phenylethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1

STK584022
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl6-{[(benzyloxy)carbonyl]amino}hexanoate
Smiles: O=C(OCc1ccccc1)NCCCCCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK584024
Synonyms: N-{[trans-4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl}-Nalpha-(tert-butoxycarbonyl)-L-phenylalaninamide
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1

STK584027
Synonyms: 3-(2-hydroxyphenyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(NC2C(=O)O)c1ccccc1O

STK584029
Synonyms: 5-(4-ethylphenyl)-3-(2-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylicacid
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK584031
Synonyms: 1-(4-chlorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: Clc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK584032
Synonyms: 1-[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazinyl]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1c(F)cccc1Cl)c1ccccc1n2

STK584034
Synonyms: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK584035
Synonyms: N-(2-bromophenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccccc1

STK584036
Synonyms: 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(Cc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK584037
Synonyms: 2-chloro-N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2ccccc2Cl)/s1

STK584038
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584039
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(furan-2-yl)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccco1

STK584041
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1COc1ccc(cc1)Cl

STK584043
Synonyms: 2-(2,6-dichlorophenyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)Cc1c(Cl)cccc1Cl

STK584045
Synonyms: 5,6-dimethyl-2-[(naphthalen-1-ylmethyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1C)NCc1cccc2c1cccc2

STK584046
Synonyms: N-[(2Z)-2-(butanoylimino)-2,3-dihydro-1,3-benzothiazol-6-yl]-2-iodobenzamide
Smiles: CCCC(=O)/N=c\1/[nH]c2c(s1)cc(cc2)NC(=O)c1ccccc1I

STK584047
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: COc1cc(CCNC(=O)Cn2c3ccc(cc3c3c2c(=O)n2CCSc2n3)F)ccc1OC

STK584048
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1OC)OC

STK584049
Synonyms: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)N=C2C(=C(O)CCC2)C1c1ccco1

STK584051
Synonyms: N-[(2E)-3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2

STK584052
Synonyms: 3-amino-5-oxo-N-(2-phenylethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)NCCc1ccccc1

STK584053
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1cccc(c1)Cl

STK584054
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1c1ccccc1)c1ccccc1F

STK584055
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1c1cccc(c1)C

STK584059
Synonyms: N-[(2Z)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK584060
Synonyms: 8,8-dimethyl-5-(phenylamino)-3-(propylsulfanyl)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: CCCSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK584061
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(pyridin-3-ylmethyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: Cc1cccc(c1)OCC(Cn1c(NCc2cccnc2)nc2c1c(O)nc(=O)n2C)O

STK584063
Synonyms: (5s,7s)-2-[4-(benzyloxy)phenyl]-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: O=C1[C@]2(C)CN3C[C@]1(CN(C2)C3c1ccc(cc1)OCc1ccccc1)c1ccccc1

STK584064
Synonyms: 2-[(2,4-dichlorophenoxy)methyl]-5-{[2-(dimethylamino)ethyl]amino}-1,3-oxazole-4-carbonitrile
Smiles: N#Cc1nc(oc1NCCN(C)C)COc1ccc(cc1Cl)Cl

STK584065
Synonyms: (3aR,6aS)-5-benzyl-3-(3,4-dimethoxyphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1

STK584066
Synonyms: 4-[4-(benzyloxy)phenyl]-6-hydroxy-2-(propylsulfanyl)-4,5-dihydropyridine-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)OCc1ccccc1

STK584068
Synonyms: N-[3-(dimethylamino)propyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
Smiles: CN(CCCNC(=O)c1c2CCCc2nc2c1cccc2)C

STK584069
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1Br

STK584070
Synonyms: (3a'S,6a'R)-5-bromo-5'-(2-phenylethyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Brc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C(C)C)C(=O)N2

STK584071
Synonyms: N-(2-bromophenyl)-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccccc1Br)CCCCCn1nnc2c(c1=O)cccc2

STK584072
Synonyms: 9-(3-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)SC)(C)C

STK584075
Synonyms: 6-chloro-2-oxo-4-propyl-2H-chromen-7-ylN-[(benzyloxy)carbonyl]-L-isoleucinate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H]([C@@H](CC)C)NC(=O)OCc1ccccc1

STK584076
Synonyms: 1-{(2E)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl}-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3ccccc3nc1Cl)c1ccccc1n2

STK584079
Synonyms: 7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK584081
Synonyms: N-(3,4-dimethylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1COc1ccccc1

STK584082
Synonyms: 4-(2,5-dimethoxyphenyl)-5-{[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)n1c(n[nH]c1=S)Cn1c(nc2c1cccc2)c1ccccn1)OC

STK584083
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK584084
Synonyms: 5-(3,4-dichlorophenyl)-N'-[(E)-pyridin-2-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1ccccn1

STK584085
Synonyms: 2-hydroxy-N'-[(E)-(6-methoxy-1H-indol-3-yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/NC(=O)c1ccccc1O

STK584086
Synonyms: 4-[(2E)-2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)[N+](=O)[O-]

STK584088
Synonyms: (6E)-6-[(2,3-dimethylphenyl)imino]-4-(3-methyl-1-benzofuran-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1[nH]/c(=N\c2cccc(c2C)C)/nc(n1)c1oc2c(c1C)cccc2

STK584089
Synonyms: 1',3'-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2COCC1)[N+](=O)[O-]

STK584093
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(naphthalen-1-yl)propanamide
Smiles: O=C(Nc1cccc2c1cccc2)CCn1c(C)nc2c1cccc2

STK584095
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK584096
Synonyms: 6-chloro-7-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl][1,3]dioxolo[4,5-g]quinoline
Smiles: Clc1nc2cc3OCOc3cc2cc1/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK584101
Synonyms: 2-[(3,4-dichlorophenyl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(c(c1)Cl)Cl

STK584102
Synonyms: N-(biphenyl-2-yl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1COc1ccccc1

STK584103
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1OC)OC)OC

STK584104
Synonyms: 3-(2-chlorobenzyl)-1,7-dimethyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CC1CCCO1)C

STK584105
Synonyms: 8-[(2-methoxyethyl)sulfanyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK584106
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-{1-[(1-phenylethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NC(c1ccccc1)C

STK584107
Synonyms: 4-chloro-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)NN1Cc2c(C1=N)cccc2

STK584108
Synonyms: N-[3-(4-fluorophenyl)-4-oxo-4H-thiochromen-2-yl]-3-nitrobenzamide
Smiles: Fc1ccc(cc1)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c(c1=O)cccc2

STK584109
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(C)c(cc2OC)Cl)nnc1COc1ccc(cc1)Cl

STK584110
Synonyms: 2-{[9-(methylsulfanyl)-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccccn2)c2c(n1)c1c(s2)nc(c2c1CCC2)C(C)C

STK584111
Synonyms: 7'-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trion
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK584115
Synonyms: 4-hydroxy-1,6,7-trimethyl-8-propyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK584116
Synonyms: 2-(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: Nc1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK584117
Synonyms: 6-butyl-1-(4-fluorophenyl)-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)F)O

STK584118
Synonyms: 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)CC

STK584119
Synonyms: 1-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)CC(OC2)(C)C

STK584121
Synonyms: 2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)cc2C)C)NCc1ccccn1

STK584122
Synonyms: methyl4-{[6-(4-oxoquinazolin-3(4H)-yl)hexanoyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CCCCCn1cnc2c(c1=O)cccc2

STK584123
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(naphthalen-2-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)cccc2)CCn1c(C)nc2c1cccc2

STK584124
Synonyms: 2'-hydroxy-12-methyl-1'-(4-methylbenzyl)-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: Cc1ccc(cc1)CN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O

STK584127
Synonyms: 1-(3,4-dimethoxyphenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK584128
Synonyms: N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvalyl-S-benzyl-D-cysteine
Smiles: CCCC(C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C

STK584129
Synonyms: N-[(2S)-1-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)NC1CCS(=O)(=O)C1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584130
Synonyms: 1',3'-dimethyl-3-[(2E)-3-phenylprop-2-en-1-yl]-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(C/C=C/c2ccccc2)CC1

STK584131
Synonyms: N-[(3Z)-1-ethyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-nitrobenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])/c2c1nc1c(c2)cccc1C

STK584132
Synonyms: N-(4-butoxyphenyl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: CCCCOc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584134
Synonyms: 1'-(2-chlorobenzyl)-2'-hydroxy-12-methyl-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1Cl)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C

STK584135
Synonyms: 2,2-dimethyl-N-[2-(morpholin-4-yl)ethyl]-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN1CCOCC1)C

STK584137
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK584138
Synonyms: 1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-ylN-[(4-methylphenyl)sulfonyl]-D-phenylalaninate
Smiles: O=C([C@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK584139
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-9-(3-methylthiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1sccc1C

STK584146
Synonyms: dioctylhexanedioate
Smiles: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

STK584147
Synonyms: 4-{[(E)-(2-methoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK584148
Synonyms: methylN-[(4-ethylphenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)CC

STK584151
Synonyms: N-[2-(1H-imidazol-5-yl)ethyl]-2-phenoxyacetamide
Smiles: O=C(COc1ccccc1)NCCc1cnc[nH]1

STK584153
Synonyms: (3a'S,6a'R)-5'-benzyl-7-chloro-3'-(3,4-dihydroxybenzyl)-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Cc1cc(Cl)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2

STK584154
Synonyms: 6-hydroxy-1'-methyl-6'-nitro-2'-phenyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: O=C1NC(=O)C2(C(=N1)O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-]

STK584156
Synonyms: 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK584158
Synonyms: ethyl4-{[(5-chlorothiophen-2-yl)sulfonyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1ccc(s1)Cl)c(OC)cc2)C

STK584159
Synonyms: 6-hydroxy-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cc1nnc(s1)SCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

STK584160
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)tetrahydrofuran-2-carboxamide
Smiles: CC(CN(C(=O)C1CCCO1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK584161
Synonyms: (2'S,3S,3'S,10b'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-3'-[(4-fluorophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3

STK584162
Synonyms: (3R,3'S,3a'S,6a'R)-5'-(4-chloro-2-methoxy-5-methylphenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1cc(Cl)c(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2C(C)C)C(=O)Nc2c1cccc2)C

STK584163
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]-2-methylbenzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1C)c1ccccc1

STK584164
Synonyms: ethyl2-[1-(3-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cccc1

STK584165
Synonyms: 8-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: O=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584168
Synonyms: 2-amino-5-hydroxy-7-methyl-4-(pyridin-3-yl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(O)nc(c2)C

STK584169
Synonyms: (5E)-3-tert-butyl-5-{[(furan-2-ylmethyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCc2ccco2)/C(=O)N1C(C)(C)C

STK584170
Synonyms: N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

STK584173
Synonyms: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(propan-2-yl)-1H-benzimidazole
Smiles: COc1ccc(cc1)/C=C/c1nc2c(n1C(C)C)cccc2

STK584174
Synonyms: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK584176
Synonyms: 7-bromo-1-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK584177
Synonyms: 7-ethyl-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK584178
Synonyms: 3-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: C[C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCC(CC1)Cc1ccccc1

STK584179
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK584180
Synonyms: (4E)-5-(4-chlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1