FULL DB

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

STK558395
Synonyms: N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK558396
Synonyms: (6Z)-6-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1c(Cl)cccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558397
Synonyms: (1'S,2'S,3R,3a'R)-2'-(1,3-benzodioxol-5-ylcarbonyl)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc2c(c1)OCO2

STK558399
Synonyms: (8S,8aR,11aS,11bS)-10-(2-fluorophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)Nc1ccccc1

STK558400
Synonyms: 2-{4-[cyclohexyl(methyl)amino]quinazolin-2-yl}phenol
Smiles: Oc1ccccc1c1nc2ccccc2c(n1)N(C1CCCCC1)C

STK558401
Synonyms: (6Z)-6-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558403
Synonyms: (8S,8aR,11aS,11bS)-10-(3-chloro-4-fluorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)F)C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2

STK558404
Synonyms: (8R,8aS,11aR)-10-(4-chlorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1C2c2ccccc2C=C1)C(=O)C(C)(C)C

STK558406
Synonyms: 2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cc(Br)ccc2O)nc2c(c1=O)cc(cc2)I

STK558407
Synonyms: 5-(3-methylphenyl)-2-phenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1

STK558409
Synonyms: 2-butyl-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: CCCCc1nc2ccccc2c(=O)n1c1ccc(cc1C)C

STK558410
Synonyms: methyl3-{[(2,6-difluorophenyl)carbonyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1c(F)cccc1F)cc(cc2)C

STK558411
Synonyms: 5-(benzylsulfanyl)-3-(hexylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCCCCSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK558412
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558413
Synonyms: 6-ethyl-6-methyl-N-(2-phenylethyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK558414
Synonyms: 10,10-dimethyl-3-(propan-2-ylsulfanyl)-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(nn2)SC(C)C)CC(OC3)(C)C

STK558416
Synonyms: 4-{[(4aR,4bS,7aR,8S)-6-benzyl-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK558418
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK558419
Synonyms: 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)propanamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(nn2)SC(C(=O)Nc1ccc(cc1)C)C

STK558420
Synonyms: 6-(3-methoxyphenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1)c1sc2n(n1)c(nn2)c1ccc(cc1)C

STK558421
Synonyms: 9-(propan-2-yl)-2-(pyridin-4-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1ccncc1)C

STK558422
Synonyms: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1c1ccc(cc1)C(C)(C)C

STK558423
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558426
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(2-methyl-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2)c1cc(ccc1C)[N+](=O)[O-]

STK558427
Synonyms: N~2~-methyl-6-(morpholin-4-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCOCC1)N(c1ccccc1)C

STK558428
Synonyms: N'-[(E)-{4-[(2-fluorobenzyl)oxy]phenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)OCc1ccccc1F

STK558429
Synonyms: 2-[(4-amino-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Smiles: CN1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=O)Nc1ccc(cc1)Cl

STK558430
Synonyms: 2-[(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK558433
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccc(cc1)C(C)C

STK558434
Synonyms: (2Z)-2-cyano-2-[(5E)-5-(2,5-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)ethanamide
Smiles: COc1ccc(c(c1)/C=c\1/s/c(=C(\C(=O)Nc2cccc(c2)C)/C#N)/n(c1=O)c1ccccc1C)OC

STK558435
Synonyms: N,N-diethyl-4-[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccc(cc1)OC)CC

STK558436
Synonyms: 2-[(3S,3'S,3a'S,6a'R)-5'-(4-chlorophenyl)-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)C[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1

STK558437
Synonyms: 3-(4-chlorophenyl)-1-(2,2-diethoxyethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CCOC(Cn1c(=O)n(c2ccc(cc2)Cl)c(=O)c2c1sc1c2CCC1)OCC

STK558438
Synonyms: N-cyclohexyl-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(NC2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK558439
Synonyms: 9-bromo-2-(5-methylfuran-2-yl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C)c1ccc(o1)C

STK558440
Synonyms: ethyl4-[({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)C

STK558441
Synonyms: 6-(3-bromophenyl)-3-(3-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1cccc(c1)Cl

STK558442
Synonyms: 2-(4-benzylpiperazin-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

STK558444
Synonyms: 5-(4-fluorophenyl)-3-(heptan-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC(C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1)CC

STK558445
Synonyms: 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK558446
Synonyms: N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(c(c1)OC)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK558447
Synonyms: 5-(4-nitrophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1ON(C2c1ccncc1)c1ccccc1

STK558448
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558449
Synonyms: 2-(4-methoxyphenyl)-3-[4-(2,3,6-trimethylphenoxy)butyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(C)ccc(c1C)C

STK558450
Synonyms: N-benzyl-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CSc1nc(NCc2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STK558451
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(3-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK558452
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E)-1-phenylbutan-2-ylidene]acetohydrazide
Smiles: CC/C(=N\NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)/Cc1ccccc1

STK558453
Synonyms: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)CSc1nc2c(s1)cccc2)C

STK558455
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK558456
Synonyms: 3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylicacid
Smiles: OC(=O)c1oc2c(c1C)C(=O)CCC2

STK558457
Synonyms: 3-(4-ethoxyphenyl)-2-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)F)nc2c(c1=O)c1CCN(Cc1s2)C

STK558458
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK558460
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558461
Synonyms: N-(3-methoxypropyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCCCOC)c2c(n1)sc1c2CC(OC1)(C)C

STK558462
Synonyms: 1-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: COc1ccc(cc1)c1nc(=S)c2c(n1CCCN(C)C)CC(OC2)(C)C

STK558466
Synonyms: 3-(2-methylpropyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1)C

STK558469
Synonyms: (4-methoxyphenyl)[(2-methylphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)OC)Nc1ccccc1C

STK558470
Synonyms: 4-[3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccc1C

STK558471
Synonyms: (2Z)-2-cyano-2-[5-(4-methoxybenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: COc1ccc(cc1)CC1S/C(=C(\C(=O)N)/C#N)/N(C1=O)c1cccc(c1)OC

STK558472
Synonyms: 8-butyl-7-(4-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCCCn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)OC

STK558473
Synonyms: 2-[(4-nitrobenzyl)sulfanyl]-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc(N)c2c(n1)sc1c2CC(SC1c1ccccc1)c1ccccc1

STK558474
Synonyms: 2-[4-(3-methylphenoxy)quinazolin-2-yl]phenol
Smiles: Cc1cccc(c1)Oc1nc(nc2c1cccc2)c1ccccc1O

STK558475
Synonyms: 3-(2-methylpropyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK558476
Synonyms: 2-[(3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I

STK558479
Synonyms: 5-(4-methoxyphenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK558480
Synonyms: 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK558481
Synonyms: N'-[(E)-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1cc(Br)ccc1OCc1cccc(c1)F

STK558482
Synonyms: ethyl5-methoxy-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)OC

STK558483
Synonyms: 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C(=O)N1Cc1ccccc1

STK558484
Synonyms: 4-[3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK558485
Synonyms: 8,8-dimethyl-3-(2-phenylethyl)-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCc1ccccc1)(C)C

STK558487
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(4-bromophenyl)-2-oxo-2-phenylethanehydrazonothioate
Smiles: Brc1ccc(cc1)N/N=C(\C(=O)c1ccccc1)/Sc1nnnn1c1ccccc1

STK558488
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK558489
Synonyms: 2-[(4-chlorobenzyl)sulfanyl]-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2)Cl)nc2c(c1=O)cc1c(n2)CCCC1

STK558492
Synonyms: 11-{[(E)-(4-fluorophenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Fc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCc1ccccc1

STK558493
Synonyms: (2Z)-2-[5-(3-chloro-4-methylbenzyl)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1ccc(c(c1)Cl)C)/C(=O)Nc1ccc(cc1)C

STK558494
Synonyms: N'-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CC(C)(C)SCc2c(n1)N1CCOCC1)C

STK558495
Synonyms: 2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK558498
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cc(ccc1OC)[N+](=O)[O-]

STK558499
Synonyms: 2,2-dimethyl-5-phenyl-N-(prop-2-en-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: C=CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1

STK558500
Synonyms: 5-(3,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)OC)C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK558501
Synonyms: 2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cc(cc2)I

STK558502
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK558503
Synonyms: 3-(4-ethylphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)CC

STK558505
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I

STK558508
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK558509
Synonyms: 2-({4-amino-6-[(4-fluorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2ccc(cc2)F)c(c(n1)N)[N+](=O)[O-]

STK558510
Synonyms: 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558511
Synonyms: (5E)-5-[1-(methylamino)ethylidene]-1-(2-methylphenyl)-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN/C(=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1C)/C

STK558512
Synonyms: N-(3-chlorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK558514
Synonyms: 2-{[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccccc2Cl)nc2c(c1=O)c1CCCCc1s2

STK558515
Synonyms: N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)Br

STK558516
Synonyms: 10,10-dimethyl-3-[(2-methylprop-2-en-1-yl)sulfanyl]-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=C)C)nn2)CC(OC3)(C)C

STK558518
Synonyms: (6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3C)/C2=N)s1

STK558519
Synonyms: 6-heptadecyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
Smiles: CCCCCCCCCCCCCCCCCc1nc(N)nc(n1)N(C)C

STK558520
Synonyms: 3-[9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]naphthalen-2-ol
Smiles: CC(N1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cc2ccccc2cc1O)C

STK558522
Synonyms: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-6-(3-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C

STK558523
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2cccc(c2)Cl)cc(c1OC)OC

STK558525
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558526
Synonyms: ethyl3-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)cc(cc2)OC

STK558527
Synonyms: 6-(biphenyl-4-yl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK558530
Synonyms: 5-nitro-6-(pyrrolidin-1-yl)-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCC1CCCO1

STK558532
Synonyms: (6Z)-5-imino-6-{4-[(2-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccccc1C)c1cccnc1

STK558533
Synonyms: (6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)[N+](=O)[O-])/C2=N)s1

STK558538
Synonyms: (4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK558540
Synonyms: 2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nc2CC(C)(C)OCc2c2n1c(SCC(=O)Nc1cccc(c1)C(F)(F)F)nn2

STK558541
Synonyms: 5-(2,6-dichlorophenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccncc1)Cl

STK558543
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-2'-(furan-2-ylcarbonyl)-7'-methoxy-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccco1

STK558544
Synonyms: 6-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2,3-dimethoxybenzoicacid
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1C(=O)O)OC)OC

STK558545
Synonyms: 4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-6-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1

STK558546
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK558547
Synonyms: 3-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccc(cc1Cl)Cl

STK558548
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[(5E)-3-(4-methylphenyl)-4-oxo-5-(2,4,5-trimethoxybenzylidene)-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C/c2cc(OC)c(cc2OC)OC)/c(=O)n1c1ccc(cc1)C)/C(=O)Nc1cccc(c1)C

STK558549
Synonyms: 3-[4-(3,5-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1cc(C)cc(c1)C

STK558550
Synonyms: 1-(4-chlorophenyl)-2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)CC(OC3)(C)CC

STK558551
Synonyms: methyl(8S,8aR,11aS,11bS)-10-(naphthalen-2-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Smiles: COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)cccc2

STK558552
Synonyms: (6Z)-6-{4-[3-(2,4-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)C)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK558553
Synonyms: 3-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(c(c1)OC)OC

STK558554
Synonyms: 2-amino-1-butyl-N-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCc1ccc(cc1)OC

STK558555
Synonyms: 1,3-dimethyl-7-[(3-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCCN(C1)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK558556
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(c1)Cl

STK558557
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]urea(non-preferredname)
Smiles: NNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2

STK558558
Synonyms: 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O

STK558559
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558561
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1ccccc1CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK558564
Synonyms: (5Z)-5-[4-(propan-2-yloxy)benzylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CC(Oc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCCC1)C

STK558565
Synonyms: 4-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl)CC

STK558566
Synonyms: 3,5-bis(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK558567
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558570
Synonyms: 3,4,5-trimethoxy-N-{5-[(4-methylpiperazin-1-yl)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}benzamide
Smiles: COc1c(OC)cc(cc1OC)C(=O)Nc1ccc2c(c1)N(C(=O)CN1CCN(CC1)C)c1ccccc1CC2

STK558572
Synonyms: 2-{[1-ethyl-4-hydroxy-6-oxo-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc(O)c(c(=O)n1CC)C1NCCc2c1cccc2

STK558573
Synonyms: butyl4-[(4aS,4bR,7aS,8R)-8-{[4-(acetyloxy)phenyl]carbonyl}-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1

STK558575
Synonyms: 2-[(3-chlorobenzyl)sulfanyl]-3-methoxyquinazolin-4(3H)-one
Smiles: COn1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2

STK558576
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: CCCCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558577
Synonyms: 6,6-dimethyl-4-[(2-phenylethyl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK558578
Synonyms: N'-{(1E,2E)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/C(=C/c1ccc(cc1)C(C)C)/C

STK558579
Synonyms: 6,6-dimethyl-N-(2-phenylethyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK558580
Synonyms: 5-benzyl-3-(2,5-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)Cc1ccccc1)OC

STK558581
Synonyms: 7-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-2-methyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCN(CC1)Cc1ccccc1

STK558582
Synonyms: 5-(4-bromophenyl)-3-(2,4-dichlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK558583
Synonyms: ethyl{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK558584
Synonyms: 3-(2-methoxyphenyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccc(cc1)C

STK558585
Synonyms: 3-[(Z)-(3-cyclopentyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: OC(c1ccccc1)CNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCC1

STK558588
Synonyms: (2'R,3'R)-3'-acetyl-2'-(3,4-dimethoxyphenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: COc1cc(ccc1OC)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2

STK558590
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-2-(4-methylphenyl)-1,3-thiazolidine
Smiles: Cc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl

STK558592
Synonyms: 3-methoxy-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one
Smiles: COn1c(SC(C)C)nc2c(c1=O)cccc2

STK558594
Synonyms: 3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK558595
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK558597
Synonyms: 2-chloro-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: Clc1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK558599
Synonyms: (6Z)-6-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558601
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1ccccc1F

STK558602
Synonyms: 3-(4-fluorophenyl)-N-{3-(4-methylphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl}-3-phenylpropanamide
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)OC(C)C)CCNC(=O)CC(c1ccc(cc1)F)c1ccccc1

STK558603
Synonyms: (6aS,6bR,9aS,10R)-8-(4-methylphenyl)-7,9-dioxo-10-(phenylcarbonyl)-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-1-ylacetate
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1c(ccc2)OC(=O)C)C(=O)c1ccccc1

STK558604
Synonyms: 8,8-dimethyl-3-(2-methylpropyl)-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CC(C)C)(C)C

STK558605
Synonyms: 2-(morpholin-4-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCOCC1

STK558606
Synonyms: methyl4-{5-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558607
Synonyms: 2-[4-(2-bromo-4-methylphenoxy)quinazolin-2-yl]phenol
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccccc1O

STK558608
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methylphenyl)propanamide
Smiles: O=C(C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C)Nc1ccc(cc1)C

STK558609
Synonyms: 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4(3H)-one
Smiles: Brc1cccc(c1)/C=C/c1nc2ccccc2c(=O)n1CCc1ccccc1

STK558610
Synonyms: 3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK558611
Synonyms: N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: N#CCCN(C(=O)C12CCC(C2(C)C)(C(=O)C1)C)CCC#N

STK558612
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCc3c(C1)cccc3)O)c([nH]2)C

STK558613
Synonyms: 4-chloro-N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-3-yl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(c(c1)C)C)C(F)(F)F

STK558614
Synonyms: 3-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: C=CCc1cccc(c1O)/C=N/n1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK558615
Synonyms: methylN-{[3-(trifluoromethyl)phenyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(c1)C(F)(F)F

STK558616
Synonyms: 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)O)nc2c(c1=O)c1CCCCc1s2

STK558617
Synonyms: 4-{(E)-[2-(4-benzylpiperazin-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)N1CCN(CC1)Cc1ccccc1

STK558618
Synonyms: 7-methoxy-3-(pyridin-2-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccccn1

STK558619
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)NC(CCc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK558620
Synonyms: 3-(2-chlorophenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1ON(C2c1ccccc1Cl)c1ccccc1

STK558621
Synonyms: 3-(3-methoxyphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: COc1cccc(c1)n1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558622
Synonyms: 2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)-N-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(n1cnc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)C

STK558623
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

STK558624
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccccc2O)nc2c(c1=O)cc(cc2)I

STK558626
Synonyms: 7-methoxy-3-[2-(morpholin-4-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCN1CCOCC1

STK558627
Synonyms: methyl3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cccc2

STK558629
Synonyms: 3-(heptan-3-yl)-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC(C1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1)CC

STK558630
Synonyms: 2-{[3-(4-ethoxyphenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)c1CCN(Cc1s2)C

STK558631
Synonyms: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(s1)cccc2)N1CCN(CC1)c1ccccc1

STK558632
Synonyms: (6Z)-6-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558633
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/C=C/c1ccccc1)\C

STK558634
Synonyms: 3-(3-ethoxyphenyl)-6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cccc(c1)OC

STK558636
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NCCc2ccccc2)nc(c1[N+](=O)[O-])N

STK558637
Synonyms: (6E)-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3ccccc3)/C2=N)s1

STK558638
Synonyms: methyl6-tert-butyl-2-[3-(4-fluorophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)F

STK558639
Synonyms: tert-butyl(2''R,3''R)-2''-(4-methoxyphenyl)-4',6'-dioxo-2'',3''-dihydro-10b''H-dispiro[cyclopentane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-3''-carboxylate
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)OC(C)(C)C)N2C(C31C(=O)OC1(OC3=O)CCCC1)c1ccccc1C=N2

STK558640
Synonyms: (6Z)-5-imino-6-(1H-indol-3-ylmethylidene)-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3c[nH]c4c3cccc4)/C2=N)s1

STK558641
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-ethyl-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK558642
Synonyms: 2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK558643
Synonyms: 2-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(Nc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK558644
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C(F)(F)F

STK558645
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3)c1ccccc1

STK558646
Synonyms: 3-(2-methoxyphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccccc1c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK558647
Synonyms: N'-[2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-diethylethane-1,2-diamine
Smiles: CCN(CCNc1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)CC

STK558648
Synonyms: 3-(3-chlorophenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1

STK558650
Synonyms: (4aR,4bS,7aR,8S)-8-(2,2-dimethylpropanoyl)-6-(4-fluorophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

STK558651
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-propylquinazolin-4(3H)-one
Smiles: CCCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK558652
Synonyms: 6,6-dimethyl-5,7-dinitro-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1ccccn1)[N+](=O)[O-]

STK558655
Synonyms: 1-amino-N-(4-ethoxyphenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK558657
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccccc2C)c2c(n1)sc1c2CC(OC1)(C)CC

STK558659
Synonyms: 6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK558660
Synonyms: N~2~-benzyl-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCc1ccccc1

STK558661
Synonyms: N-(4-acetylphenyl)-2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(N)c2c(n1)nc1c(c2)CCCC1

STK558662
Synonyms: 3-(4-tert-butylphenyl)-6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccc(cc1)C(C)(C)C

STK558663
Synonyms: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STK558665
Synonyms: 2-(4-chlorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)N/N=C/c1ccccc1O

STK558666
Synonyms: 6-ethyl-6-methyl-4-[(4-nitrobenzyl)sulfanyl]-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2)[N+](=O)[O-])c2c(n1)sc1c2CC(OC1)(C)CC

STK558667
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-{(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)OCc1cccc2c1cccc2

STK558669
Synonyms: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK558670
Synonyms: 2-(4-methoxyphenyl)-3-{2-[2-(3-methylphenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cccc(c1)C

STK558672
Synonyms: 3-[(4-bromophenyl)sulfonyl]-1-cyclopentyl-2-imino-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Brc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)C1CCCC1)nc1n(c2=O)cccc1

STK558673
Synonyms: 3-(3-methoxyphenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)OC

STK558674
Synonyms: 1-[2-(1H-indol-3-yl)ethyl]-3-[4-(pentafluorophenoxy)phenyl]urea
Smiles: O=C(Nc1ccc(cc1)Oc1c(F)c(F)c(c(c1F)F)F)NCCc1c[nH]c2c1cccc2

STK558675
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cccc(c1)/C=N/NC(=O)CSc1nnc(n1C)c1ccc(cc1)Br

STK558676
Synonyms: 4-benzyl-6-ethyl-6-methyl-1-(propylsulfanyl)-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: CCCSc1nnc2n1c1c3ccccc3CC(c1c(=O)n2Cc1ccccc1)(C)CC

STK558677
Synonyms: N-benzyl-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)NCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK558679
Synonyms: ethyl6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CN2CCOCC2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

STK558680
Synonyms: 3-ethyl-2-[(4-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)F)nc2c(c1=O)c1CCN(Cc1s2)C

STK558681
Synonyms: ethyl6-fluoro-2-methylquinoline-3-carboxylate
Smiles: Cc1nc2ccc(cc2cc1C(=O)OCC)F

STK558682
Synonyms: N-(4-ethoxyphenyl)-4-{(2E)-2-[3-methoxy-4-(propan-2-yloxy)benzylidene]hydrazinyl}-4-oxobutanamide
Smiles: CCOc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1ccc(c(c1)OC)OC(C)C

STK558684
Synonyms: 1-(4-chlorophenyl)-2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanone
Smiles: CCCSc1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)C

STK558685
Synonyms: N-(4-methoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK558686
Synonyms: (6Z)-6-{4-[3-(3,4-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCCOc1ccc(c(c1)C)C)c1cccnc1

STK558687
Synonyms: (5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK558688
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[3-(2-methylphenoxy)propoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCCOc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK558689
Synonyms: 2-[4-(benzyloxy)phenyl]-1-(2-methoxyphenyl)-4-oxoazetidine-2-carbonitrile
Smiles: COc1ccccc1N1C(=O)CC1(C#N)c1ccc(cc1)OCc1ccccc1

STK558690
Synonyms: 3-benzyl-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=C(c1cccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK558691
Synonyms: 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanoicacid
Smiles: OC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK558692
Synonyms: (2''R,3''R)-3''-acetyl-2''-(4-methoxyphenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Smiles: COc1ccc(cc1)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC1(OC3=O)CCCCC1)c1ccccc1C=N2

STK558693
Synonyms: (4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)OC

STK558694
Synonyms: 5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)[nH]cn2

STK558695
Synonyms: N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: NCCCNc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK558696
Synonyms: 2-(benzylsulfanyl)-3-(4-chlorophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK558698
Synonyms: 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2nc3c([nH]2)cccc3)nc2c(c1=O)c1CCCc1s2

STK558699
Synonyms: 6-(3-bromophenyl)-3-(2-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Brc1cccc(c1)C1=Nn2c(SC1)nnc2c1ccccc1C

STK558700
Synonyms: N~2~-benzyl-N~4~-(4-ethoxyphenyl)-N~2~-methyl-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(Cc1ccccc1)C

STK558701
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)/c1ccccc1

STK558703
Synonyms: 3-(4-ethoxyphenyl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)OC

STK558704
Synonyms: 3-[(4-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)Cl)nn2)CC(OC3)(C)CC

STK558705
Synonyms: ethyl{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK558706
Synonyms: 1-[2-(diethylamino)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: CCN(CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccc(cc1)OC)CC

STK558707
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NC(CCc1ccccc1)C)nn2)CC(OC3)(C)CC

STK558708
Synonyms: N~2~-[3-(dimethylamino)propyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CN(CCCNc1nc(N2CCN(CC2)C)c(c(n1)N)[N+](=O)[O-])C

STK558709
Synonyms: 2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
Smiles: Cc1nc(N)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C

STK558710
Synonyms: 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OCC)nn2)CC(OC3)(C)C

STK558711
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cc(OC)ccc1OC

STK558712
Synonyms: 8,10-dichloro-2,3-dihydro-5H,6H-chromeno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-5,6-dione
Smiles: Clc1cc(Cl)c2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCS2

STK558713
Synonyms: methyl3-{[3-(4-cyclohexylpiperazin-1-yl)propanoyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)C1CCCCC1)ccc(c2)OC

STK558714
Synonyms: 2-{[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2

STK558715
Synonyms: 2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK558716
Synonyms: 4-{[(4aS,4bR,7aS,8R)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)NC2=O

STK558717
Synonyms: (5Z)-5-[(3-{3-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1cn(nc1c1cccc(c1)OCc1ccccc1Cl)c1ccccc1)N1CCOCC1

STK558718
Synonyms: 2-[4-(2-ethylpiperidin-1-yl)quinazolin-2-yl]-6-methoxyphenol
Smiles: CCC1CCCCN1c1nc(nc2c1cccc2)c1cccc(c1O)OC

STK558719
Synonyms: 8-(butylsulfanyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK558720
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-(1H-pyrrol-2-ylmethylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc[nH]3)/C2=N)s1

STK558721
Synonyms: N'-[(E)-(3-chlorophenyl)methylidene]-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nc(cc1C)C)N/N=C/c1cccc(c1)Cl

STK558722
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)CC

STK558723
Synonyms: ethyl1-methyl-6-[(4-methylpiperazin-1-yl)methyl]-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1=C(CN2CCN(CC2)C)N(C(=O)NC1c1ccccc1)C

STK558724
Synonyms: N-(4-methoxyphenyl)-4-oxo-4-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]butanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cccnc1

STK558725
Synonyms: 5-(4-bromophenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C

STK558727
Synonyms: 2-[(4-chlorophenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: Clc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK558728
Synonyms: 6-(2-chlorophenyl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1ccccc1c1nn2c(s1)nnc2COc1ccccc1

STK558731
Synonyms: 2-ethyl4-methyl5-[3-(2-chlorophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK558732
Synonyms: 3-(4-ethylphenyl)-5-(naphthalen-1-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STK558734
Synonyms: 3-methyl-N-[1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]butanamide
Smiles: CC(Cn1nc(c2c1nc1ccccc1c2)NC(=O)CC(C)C)C

STK558735
Synonyms: 6-(3-ethoxyphenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccc(cc1)C

STK558736
Synonyms: 8-methoxy-2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1

STK558737
Synonyms: ethyl4-{5-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]furan-2-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK558738
Synonyms: N-(2,4-difluorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)cccc2

STK558739
Synonyms: (4aR,4bS,7aR,8S)-6-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK558740
Synonyms: 6,6-dimethyl-4-(prop-2-en-1-ylsulfanyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: C=CCSc1nc(SCCC)nc2c1c1CC(C)(C)OCc1s2

STK558741
Synonyms: (1R,3R)-3-(phenylcarbonyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile
Smiles: N#C[C@@H]1C[C@@H](N2C1c1ccccc1C=N2)C(=O)c1ccccc1

STK558742
Synonyms: methyl{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)OC)nn2)CC(OC3)(C)CC

STK558743
Synonyms: ethylN-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1ccc(cc1)C(C)(C)C

STK558744
Synonyms: (4aR,4bS,7aR,8S)-6-(4-chlorophenyl)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK558745
Synonyms: N-(4-chlorophenyl)-2-[(5-ethyl-3,5-dimethyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c(n2)SCC(=O)Nc1ccc(cc1)Cl)C

STK558748
Synonyms: 8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-7-(1-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1C(c1ccccc1)C)c(=O)n(c(=O)n2C)C)CC

STK558749
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)C)OC

STK558750
Synonyms: 5-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl

STK558751
Synonyms: (6E)-6-{[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Brc1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK558753
Synonyms: 10,10-dimethyl-3,5-bis(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nnc2n1c(SCCC)nc1c2c2CC(C)(C)OCc2s1

STK558754
Synonyms: 4-(2,3-dimethylphenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Cc1cccc(c1C)Oc1nc(nc2c1cccc2)c1ccccn1

STK558755
Synonyms: 3-(3-ethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1cc(OC)c(c(c1)OC)OC

STK558758
Synonyms: 2-methoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl4-chlorobenzenesulfonate
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OS(=O)(=O)c1ccc(cc1)Cl

STK558759
Synonyms: 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-[3-(morpholin-4-yl)propyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Clc1ccc(cc1)S(=O)(=O)c1cc2c(n(c1=N)CCCN1CCOCC1)nc1n(c2=O)cccc1

STK558760
Synonyms: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(n1c(CN2CCCCC2C)nc2c1c(=O)n(c(=O)n2C)C)C

STK558761
Synonyms: 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK558763
Synonyms: N-hydroxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]heptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)C)O

STK558764
Synonyms: (2E)-3-(4-chlorophenyl)-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
Smiles: O=C1Nc2nc(nn2C(C1)c1ccccc1)NC(=O)/C=C/c1ccc(cc1)Cl

STK558765
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate
Smiles: N#C/C(=C/Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc(cc1)[N+](=O)[O-]

STK558766
Synonyms: 4-(4-methoxyphenyl)-7-(propan-2-yl)-1-thioxo-2,4,6,9-tetrahydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: COc1ccc(cc1)n1c(=O)c2c3CC(OCc3sc2n2c1n[nH]c2=S)C(C)C

STK558767
Synonyms: (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: Cc1onc(c1)N1C(=O)C(=O)/C(=C(\c2ccc(o2)C)/O)/C1c1cccnc1

STK558768
Synonyms: (E)-(5-methylfuran-2-yl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)C

STK558769
Synonyms: 4-{[(E)-(2-ethoxyphenyl)methylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccccc1/C=N/n1c(=S)[nH]nc1c1cccnc1

STK558770
Synonyms: 2-[(6-{[(2Z)-4,6-bis(phenylamino)-1,3,5-triazin-2(1H)-ylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
Smiles: O=C(N1CCCC1)CSc1sc2c(n1)ccc(c2)/N=c/1\nc(Nc2ccccc2)nc([nH]1)Nc1ccccc1

STK558771
Synonyms: (5E)-3-(4-chlorophenyl)-6-hydroxy-5-{[(4-methylpiperazin-1-yl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CN1CCN(CC1)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK558772
Synonyms: (E)-{2-(4-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCCn1c[nH+]cc1)/[O-]

STK558774
Synonyms: N-(3-fluorophenyl)-1-heptyl-2-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCn1c(O)c(C(=O)Nc2cccc(c2)F)c(=O)c2c1cccc2

STK558775
Synonyms: N-[4-({(E)-[1-(2-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O

STK558776
Synonyms: (2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2ccc(c(c2)C)C)/S/C/1=C\c1cccnc1

STK558777
Synonyms: N-(2,5-dimethylphenyl)-2,2-dimethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: Cc1ccc(c(c1)N(C(=O)C(C)(C)C)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK558778
Synonyms: 2-[(2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Smiles: N#Cc1ccccc1COc1c(Cl)cc(cc1Cl)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK558779
Synonyms: (4E)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STK558780
Synonyms: (4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(furan-2-ylmethyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccco1

STK558781
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: C[NH+](CCCN1C(c2ccncc2)/C(=C(/c2ccco2)\[O-])/C(=O)C1=O)C

STK558782
Synonyms: 3-nitro-N-{(3E)-2-phenyl-5-[(phenylcarbonyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-ylidene}benzamide
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\[nH]c(nn1c1ccccc1)NC(=O)c1ccccc1

STK558783
Synonyms: (2Z)-3-(1H-benzotriazol-1-yl)-2-[(4-bromophenyl)imino]-4-hydroxynaphthalen-1(2H)-one
Smiles: Brc1ccc(cc1)/N=C/1\C(=O)c2ccccc2C(=C1n1nnc2c1cccc2)O

STK558784
Synonyms: (5Z)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-3-(3-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C/NC2CCN(CC2)Cc2ccccc2)/C1=O)O

STK558786
Synonyms: N-(3,4-dichlorophenyl)-1-hydroxy-11-(4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)Nc1ccc(c(c1)Cl)Cl)cccc2)c1cccs1

STK558787
Synonyms: (E)-[4-(benzyloxy)-3-methylphenyl]{1-[2-(dimethylammonio)ethyl]-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[O-]

STK558788
Synonyms: N-[2-(2-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2ccc(cc2)Br)S)[nH]c2c1cccc2

STK558789
Synonyms: 2-[(E)-{[4-(2-methoxyphenyl)piperazin-4-ium-1-yl]imino}methyl]phenolate
Smiles: COc1ccccc1[NH+]1CCN(CC1)/N=C/c1ccccc1[O-]

STK558790
Synonyms: (4E)-5-(4-fluorophenyl)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)O

STK558791
Synonyms: (E)-(4-chlorophenyl)[2-(2,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK558792
Synonyms: {3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-1-yl}(2-bromophenyl)methanone
Smiles: Brc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)C1=NN(C(C1)/C=C/c1ccccc1)C(=O)c1ccccc1Br

STK558793
Synonyms: (4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK558794
Synonyms: 3-benzyl-6-chloro-8-[(2-ethylpiperidinium-1-yl)methyl]-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: CCC1CCCC[NH+]1Cc1c([O-])c(Cl)cc2c1oc(=O)c(c2C)Cc1ccccc1

STK558795
Synonyms: 5-(4-methylphenyl)-4-{[(E)-(3-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)[N+](=O)[O-]

STK558796
Synonyms: 1-(3-methoxyphenyl)-3-[(2E)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1cccc(c1)NC(=O)/N=c/1\[nH]nc(s1)C12CC3CC(C2)CC(C1)C3

STK558797
Synonyms: 11-(5-bromo-2-hydroxyphenyl)-3,3,7,8-tetramethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: Brc1ccc(c(c1)C1Nc2cc(C)c(cc2N=C2C1=C(O)CC(C2)(C)C)C)O

STK558798
Synonyms: (E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-chloro-4-ethoxyphenyl)methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC[NH+](C)C)/[O-]

STK558799
Synonyms: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

STK558800
Synonyms: 4-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]phenolate
Smiles: [O-]c1ccc(cc1)/C=N/Nc1[nH+]c2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK558801
Synonyms: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1c(OC)cc(cc1OC)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F

STK558802
Synonyms: N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F

STK558803
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
Smiles: Cc1ccc(cc1)N(C(=O)c1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O

STK558804
Synonyms: N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1cccc(c1)C(=O)N(c1ccc(c(c1)C)C)Cc1cc2cc(C)ccc2[nH]c1=O

STK558805
Synonyms: (2Z)-2-{(2E)-[(1-{2-[4-(hexyloxy)phenoxy]ethyl}-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1,3-benzothiazole
Smiles: CCCCCCOc1ccc(cc1)OCCn1cc(c2c1cccc2)/C=N/N=c/1\sc2c([nH]1)cccc2

STK558806
Synonyms: (E)-(3-chloro-4-ethoxyphenyl){1-[3-(dimethylammonio)propyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OC)CCC[NH+](C)C)/[O-]

STK558807
Synonyms: 2-(4-{[2-(diethylammonio)ethyl]amino}quinazolin-2-yl)-6-methoxyphenolate
Smiles: CC[NH+](CCNc1nc(nc2c1cccc2)c1cccc(c1[O-])OC)CC

STK558808
Synonyms: 1-[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(piperidin-1-yl)ethanone
Smiles: Brc1ccc(cc1)C1CC(=NN1C(=O)CN1CCCCC1)c1c(O)nc2c(c1c1ccccc1)cc(cc2)Br

STK558809
Synonyms: (E)-(4-methoxy-3-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+]1CCOCC1)/[O-]

STK558810
Synonyms: 2-(3-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)S

STK558811
Synonyms: (E)-{2-(4-ethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OCC)CC[NH+]1CCOCC1)/[O-]

STK558812
Synonyms: 3,4-dichloro-N-[(4E)-2-(2,4-dichlorophenyl)quinazolin-4(3H)-ylidene]aniline
Smiles: Clc1ccc(c(c1)Cl)c1nc2ccccc2/c(=N\c2ccc(c(c2)Cl)Cl)/[nH]1

STK558813
Synonyms: (5Z)-5-[4-(diethylamino)-2-hydroxybenzylidene]-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(c(c1)O)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)F)O)CC

STK558817
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)nc3n2cccc3)/[O-])/C1c1cc(OC)ccc1OC)CC

STK558818
Synonyms: 2-{[(1-propyl-1H-3,1-benzimidazol-3-ium-2-yl)amino]methyl}phenolate
Smiles: CCCn1c(NCc2ccccc2[O-])[nH+]c2c1cccc2

STK558819
Synonyms: 2-methyl-5-{(4Z)-4-[(4-sulfamoylphenyl)imino]-3,4-dihydrophthalazin-1-yl}-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)c1n[nH]/c(=N\c2ccc(cc2)S(=O)(=O)N)/c2c1cccc2

STK558820
Synonyms: methyl2-{(3E)-2-(4-ethylphenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC

STK558821
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)C)/[O-]

STK558822
Synonyms: 6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(1-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(c(n2)NCCCn1cncc1)C(c1ccccc1)C)C

STK558825
Synonyms: N-(3-methoxyphenyl)-4-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cc2ccccc2[nH]c1=O

STK558826
Synonyms: 4-bromo-2-{(E)-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)ccc2[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

STK558827
Synonyms: (E)-(3-chloro-4-ethoxyphenyl){2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCCn1cc[nH+]c1)/[O-]

STK558829
Synonyms: 3,7-bis[(4-chlorobenzyl)sulfanyl]-12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc(cc2)Cl)nn1)CC(OC3)(C)C

STK558830
Synonyms: 7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1c(F)cccc1Cl

STK558832
Synonyms: (4Z)-4-[(2,6-dimethylphenyl)imino]-7,7-dimethyl-1-phenyl-8-oxa-1,3-diazaspiro[4.5]dec-2-ene-2-thiol
Smiles: SC1=N/C(=N\c2c(C)cccc2C)/C2(N1c1ccccc1)CCOC(C2)(C)C

STK558833
Synonyms: N-(2-ethoxyphenyl)-6-(4-hydroxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
Smiles: CCOc1ccccc1NC(=O)C1=C(C)N=C(NC1c1ccc(cc1)O)S

STK558834
Synonyms: 10-(4-bromophenyl)-2-hydroxy-7-[3-(trifluoromethyl)phenyl]-5,5a,8a,9,9a,10-hexahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-6,8(4aH,7H)-dione
Smiles: Oc1nc2c(s1)C(c1ccc(cc1)Br)C1C(S2)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)C(F)(F)F

STK558835
Synonyms: N-{2-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-2-oxo-1-(4-oxo-3,4-dihydrophthalazin-1-yl)ethyl}benzamide
Smiles: O=C(c1ccccc1)NC(c1n[nH]c(=O)c2c1cccc2)C(=O)N/N=C/c1ccccc1F

STK558836
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: COc1c(OC)cccc1C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccco1)/O

STK558837
Synonyms: (4Z)-6-[(4-methoxyphenoxy)methyl]-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)OCc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STK558838
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

STK558839
Synonyms: N-[4-({(Z)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C\1/C(=NC(=O)N(C1=O)Cc1ccco1)O

STK558841
Synonyms: 4-butyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Smiles: CCCCc1cc(=O)oc2c1ccc(c2C[NH+]1CCCC1)[O-]

STK558842
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(pyridin-4-yl)methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccncc2)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

STK558843
Synonyms: (5Z)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\Nc1c(=O)n(n(c1C)C)c1ccccc1)c1ccccc1

STK558844
Synonyms: (E)-{2-(3-chlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC

STK558845
Synonyms: (5E)-5-({1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cccn2CCOc2ccc(c(c2)C)Cl)/C1=O)O

STK558847
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[O-])C

STK558849
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methylbenzoate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1ccccc1

STK558850
Synonyms: (2E,5Z)-2-[(4-bromophenyl)imino]-5-(thiophen-2-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Brc1ccc(cc1)/N=C\1/S/C(=C\c2cccs2)/C(=N1)O

STK558851
Synonyms: N-cyclohexyl-2-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)C(C)C)C1CCCCC1

STK558852
Synonyms: (E)-(4-chlorophenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

STK558853
Synonyms: N-[(Z)-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]{[(4-methoxyphenyl)carbonyl]amino}methylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N/C(=N/C(=O)c1ccc(cc1)OC)/N=c/1\sc2c([nH]1)cccc2

STK558854
Synonyms: N-(2-{(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}ethyl)acetamide
Smiles: CC(=O)NCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK558855
Synonyms: 7-(2-fluorophenyl)-6-(pyridin-4-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: Fc1ccccc1C1C2=C(N=c3n1nc[nH]3)c1c(OC2c2ccncc2)cccc1

STK558856
Synonyms: (1E)-2-butyl-1-[(4-fluorophenyl)imino]-3-methyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCCCc1c(C)c(C#N)c2n(/c/1=N/c1ccc(cc1)F)c1ccccc1[nH]2

STK558858
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

STK558859
Synonyms: (2E,5Z)-2-[(2,3-dichlorophenyl)imino]-5-(1H-indol-3-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: OC1=N/C(=N\c2cccc(c2Cl)Cl)/S/C/1=C\c1c[nH]c2c1cccc2

STK558860
Synonyms: 4-{(E)-[2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)Cl)SCC(=O)N/N=C/c1ccc(c(c1)OC)[O-]

STK558861
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])CC

STK558862
Synonyms: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC[NH+](CC)CC)/[O-]

STK558863
Synonyms: 1-[(2Z)-5-(3,4-dichlorobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)urea
Smiles: Cc1ccc(cc1)NC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(c(c1)Cl)Cl

STK558864
Synonyms: (E)-{1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1)C

STK558866
Synonyms: (5E)-1-(4-fluorophenyl)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCn2ccnc2)/C1=O)S

STK558867
Synonyms: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[furan-2-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccccc1F

STK558868
Synonyms: 4-methoxy-N-(2-methoxyphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccc(cc1)C(=O)N(c1ccccc1OC)Cc1cc2ccc(cc2[nH]c1=O)C

STK558869
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC[NH+](C)C)/[O-])C

STK558870
Synonyms: N-[(2Z)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-3-chloro-1-benzothiophene-2-carboxamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N\C(=O)c2sc3c(c2Cl)cccc3)/[nH]1

STK558872
Synonyms: 8-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)Cl

STK558873
Synonyms: (E)-[2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

STK558874
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-{(4Z)-4-[(3-methylphenyl)imino]-3,4-dihydrophthalazin-1-yl}benzenesulfonamide
Smiles: OCC(NS(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N\c2cccc(c2)C)/c2c1cccc2)(C)C

STK558876
Synonyms: ethyl2-{(3E)-2-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)/C(=C(/c2ccc(cc2)F)\O)/C(=O)C1=O

STK558877
Synonyms: N-(2-methoxyphenyl)-3-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccccc1N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2ccccc2[nH]c1=O

STK558878
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F)OC

STK558879
Synonyms: (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-{[(4-methylpiperazin-1-yl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: CN1CCN(CC1)N/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK558880
Synonyms: 3-{[(4-ethoxyphenyl)amino]methyl}-6-methylquinolin-2(1H)-one
Smiles: CCOc1ccc(cc1)NCc1cc2cc(C)ccc2[nH]c1=O

STK558881
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[NH+](CC)CC)/[O-]

STK558883
Synonyms: (E)-{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: Cc1ccc(o1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-]

STK558884
Synonyms: N'-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylidene]-2-oxo-1,2-dihydroquinoline-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2cc(=O)[nH]c3c2cccc3)c(c(c1)[N+](=O)[O-])O

STK558885
Synonyms: 7-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Fc1ccc(cc1)C1=CC(n2c(=N1)[nH]nn2)c1ccc(cc1Cl)Cl

STK558886
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccco1

STK558887
Synonyms: 11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: CCCOc1ccc(cc1OC)C1Nc2ccccc2N=C2C1=C(O)CC(C2)(C)C

STK558888
Synonyms: 4-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CCCSc1nc(O)c2c(n1)sc(c2C)C

STK558889
Synonyms: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)c1sc2c(n1)ccc(c2)F)/O

STK558890
Synonyms: (E)-{2-(furan-2-yl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(7-methoxy-1-benzofuran-2-yl)methanolate
Smiles: COc1cccc2c1oc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CC[NH+]1CCOCC1)/[O-]

STK558891
Synonyms: N-(3,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-4-nitrobenzamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(c(c1)C)C

STK558892
Synonyms: (5Z)-3-(2,5-dimethoxyphenyl)-6-hydroxy-5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1N1C(=O)N=C(/C(=C/NCCc2c[nH]c3c2cccc3)/C1=O)O)OC

STK558893
Synonyms: 4-[(E)-(2-{[(1-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]c3c(n2Cc2ccccc2)cccc3)ccc1[O-]

STK558894
Synonyms: (2E,5Z)-2-[(2,4-dimethylphenyl)imino]-5-(3,4,5-trimethoxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1cc(/C=C/2\S/C(=N/c3ccc(cc3C)C)/N=C2O)cc(c1OC)OC

STK558895
Synonyms: 5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[1-(3-fluorophenyl)-6-hydroxy-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl]methyl)-3-(3-fluorophenyl)-6-oxo-2-sulfanyl-3,6-dihydropyrimidin-
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(=O)nc(n(c1O)c1cccc(c1)F)S)c1c(=O)nc(n(c1[O-])c1cccc(c1)F)S

STK558896
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-ethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)O

STK558897
Synonyms: (2Z)-2-(1H-benzimidazol-2-yl)-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxyhex-2-enenitrile
Smiles: N#C/C(=C(\CCCN1C(=O)c2c(C1=O)cccc2)/O)/c1nc2c([nH]1)cccc2

STK558899
Synonyms: (E)-(4-chlorophenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)CC[NH+]1CCOCC1)/[O-]

STK558900
Synonyms: 1-[(Z)-(2-{[(4,5-diphenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]naphthalen-2-olate
Smiles: O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccccc1)N/N=C\c1c([O-])ccc2c1cccc2

STK558901
Synonyms: 4-[(E)-(2-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2CC)c2ccccc2)ccc1[O-]

STK558902
Synonyms: 4-[(E)-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2sc3c([nH+]2)cccc3)cc(c1[O-])OC

STK558904
Synonyms: N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CCCC(=O)N(c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O

STK558905
Synonyms: (4E)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C

STK558906
Synonyms: 5-{[6-hydroxy-1-(2-methylphenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrimidin-5-yl](4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl}phenyl)methyl}-3-(2-methylphenyl)-6-oxo-2-sulfanyl-3,6-dihydro
Smiles: COc1ccc(cc1C[NH+]1CCN(CC1)c1ccccc1OC)C(c1c(=O)nc(n(c1O)c1ccccc1C)S)c1c(=O)nc(n(c1[O-])c1ccccc1C)S

STK558907
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2sc(nc2C)C)/[O-])/C1c1cccc(c1)OC)CC

STK558908
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Smiles: Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+](C)C)/[O-]

STK558909
Synonyms: (5E)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-1-(prop-2-en-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=NC(=O)/C(=C\c2ccc(o2)Sc2ccc(cc2)C)/C1=O)S

STK558910
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)nc3n2cccc3C)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])C

STK558911
Synonyms: (2Z)-2-{(2E)-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1,3-benzothiazole
Smiles: Cc1cc(c(n1c1ccccc1)C)/C=N/N=c/1\sc2c([nH]1)cccc2

STK558912
Synonyms: 4-{[(E)-(2-methoxyphenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1

STK558915
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: CCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

STK558916
Synonyms: 7-(3-bromobenzyl)-8-(heptylsulfanyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCSc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C

STK558917
Synonyms: N'-{(Z)-[1-(3-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C/NNC(=O)c2ccncc2)/C1=O)O

STK558919
Synonyms: (4E)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)Cc1ccco1)/O

STK558920
Synonyms: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+]1CCOCC1)/[O-]

STK558921
Synonyms: (2E,5Z)-2-[(4-hydroxyphenyl)imino]-5-(thiophen-2-ylmethylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Oc1ccc(cc1)/N=C\1/S/C(=C\c2cccs2)/C(=N1)O

STK558922
Synonyms: (2E,5Z)-2-[(4-methylphenyl)imino]-5-[4-(octyloxy)benzylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\S/C(=N/c2ccc(cc2)C)/N=C1O

STK558923
Synonyms: 2-{(E)-[2-(quinolinium-8-yl)hydrazinylidene]methyl}quinolin-8-olate
Smiles: [O-]c1cccc2c1nc(/C=N/Nc1cccc3c1[nH+]ccc3)cc2

STK558924
Synonyms: (2E)-2-(4-hydroxy-2-oxo-1,3-thiazol-5(2H)-ylidene)-N-(1,3-thiazol-2-yl)ethanamide
Smiles: O=C(/C=C\1/SC(=O)N=C1O)Nc1nccs1

STK558925
Synonyms: 2-ethoxy-4-{4-hydroxy-3-[(4-methoxyphenyl)carbonyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}phenolate
Smiles: CCOc1cc(ccc1[O-])C1N(CC[NH+]2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)OC)O

STK558926
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(4-nitrophenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK558927
Synonyms: 4-chloro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylbenzamide
Smiles: CCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O

STK558928
Synonyms: 2-[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)CSc1nc(O)c2c(n1)sc1c2CCC1

STK558929
Synonyms: (E)-(4-chlorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STK558930
Synonyms: (5E)-1-(4-fluorobenzyl)-2-hydroxy-5-(4-methoxybenzylidene)pyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)O

STK558931
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methylacetate
Smiles: CC(=O)OCc1cc2ccc(cc2[nH]c1=O)C

STK558932
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Brc1ccc(cc1)COc1ccccc1/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N

STK558933
Synonyms: (E)-(3,4-dimethoxyphenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)CC[NH+](C)C)/[O-]

STK558934
Synonyms: (E)-1-benzofuran-2-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccncc2)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)C

STK558935
Synonyms: (5Z)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxy-3-(naphthalen-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C\Nc1c(=O)n(n(c1C)C)c1ccccc1)c1cccc2c1cccc2

STK558936
Synonyms: (E)-(4-bromophenyl){2-(4-tert-butylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Brc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CC[NH+]1CCOCC1)/[O-]

STK558937
Synonyms: N-butyl-3-methoxy-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1cccc(c1)OC)Cc1cc2cccc(c2[nH]c1=O)C

STK558939
Synonyms: N-butyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: CCCCN(C(=O)c1ccco1)Cc1cc2ccc(cc2[nH]c1=O)C

STK558940
Synonyms: 2-{(E)-[2-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: CCn1c(SCC(=O)N/N=C/c2ccccc2[O-])[nH+]nc1c1ccc(cc1)C

STK558942
Synonyms: (E)-(3-chloro-4-methoxyphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CC[NH+]1CCOCC1)/[O-]

STK558943
Synonyms: (5E)-5-[4-(benzyloxy)benzylidene]-1-[2-(4-fluorophenyl)ethyl]-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)CCN1C(=NC(=O)/C(=C\c2ccc(cc2)OCc2ccccc2)/C1=O)O

STK558944
Synonyms: (E)-(4-bromophenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: CC(Oc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)C

STK558945
Synonyms: (E)-(4-bromophenyl){1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C1=O)C

STK558946
Synonyms: (5E)-6-hydroxy-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-3-(naphthalen-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCCN2CCOCC2)/C(=O)N1c1cccc2c1cccc2

STK558947
Synonyms: (6Z)-N-(5-chloro-2-methylphenyl)-6-[(5-chloro-2-methylphenyl)imino]-4-(4-methylpiperazin-1-yl)-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: CN1CCN(CC1)c1nc([nH]/c(=N/c2cc(Cl)ccc2C)/n1)Nc1cc(Cl)ccc1C

STK558948
Synonyms: 4-[(E)-{2-[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-3-hydroxyphenolate
Smiles: C=CCn1c(N/N=C/c2ccc(cc2O)[O-])[nH+]c2c1c(=O)n(c(=O)n2C)C

STK558949
Synonyms: N-[4-({(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)S

STK558950
Synonyms: (E)-[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)Cc1ccc[nH+]c1)/[O-]

STK558952
Synonyms: 3-hydroxy-4-{(1E)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-5-ium-6-yl)hydrazinylidene]ethyl}phenolate
Smiles: [O-]c1ccc(c(c1)O)/C(=N/Nc1ccc2n([nH+]1)cnn2)/C

STK558953
Synonyms: (5E)-1-cyclopropyl-5-({[3-(diethylamino)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCN(CCCN/C=C/1\C(=O)N=C(N(C1=O)C1CC1)S)CC

STK558954
Synonyms: (E)-1-benzofuran-2-yl{1-[3-(diethylammonio)propyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2cc3c(o2)cccc3)\[O-])/C(=O)C1=O)CC

STK558955
Synonyms: 2-[(1Z)-1-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}ethyl]phenolate
Smiles: O=C(N/N=C(\c1ccccc1[O-])/C)CSc1sc2c([nH+]1)cccc2

STK558956
Synonyms: 2-[4-(azepanium-1-yl)quinazolin-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc2ccccc2c(n1)[NH+]1CCCCCC1

STK558957
Synonyms: 3-{(1Z)-1-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: O=C(CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)N/N=C(\c1cccc(c1)[O-])/C

STK558958
Synonyms: 3-cyclohexyl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylpyrimidin-4(3H)-one
Smiles: COc1cc2c(cc1OC)CCNC2c1c(O)nc(n(c1=O)C1CCCCC1)S

STK558961
Synonyms: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[furan-2-yl(hydroxy)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cc(OC)c(c(c2)OC)OC)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK558962
Synonyms: 1-decyl-2-hydroxy-4-oxo-N-(pyridin-2-yl)-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCCCCCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2c1cccc2

STK558963
Synonyms: (E)-{2-(2,5-dimethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccc(c(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC

STK558964
Synonyms: 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1onc(c1c1n[nH]c(=S)n1c1ccccc1)c1ccccc1

STK558965
Synonyms: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC

STK558967
Synonyms: 2-chloro-N-(3,4-dimethylphenyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1cc(ccc1C)N(C(=O)c1ccccc1Cl)Cc1cc2cccc(c2[nH]c1=O)C

STK558968
Synonyms: 5-({3-[(3,3-dimethylpiperidinium-1-yl)methyl]-4-methoxyphenyl}[4-hydroxy-1-(4-methylphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl]methyl)-6-hydroxy-1-(4-methylphenyl)-4-oxo-1,4-dihydropyrimidine-
Smiles: COc1ccc(cc1C[NH+]1CCCC(C1)(C)C)C(c1c(O)nc(n(c1=O)c1ccc(cc1)C)S)c1c(=O)nc(n(c1O)c1ccc(cc1)C)[S-]

STK558969
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2,3-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1c(OC)cccc1C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

STK558970
Synonyms: N-butyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-3-nitrobenzamide
Smiles: CCCCN(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc2cccc(c2[nH]c1=O)C

STK558971
Synonyms: N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: CCC(=O)N(c1cccc(c1C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK558972
Synonyms: (5E)-3-(3-chloro-4-methylphenyl)-5-({1-[2-(2,5-dichlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(c(c1)OCCn1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O)Cl

STK558974
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccccc1)/O)OC

STK558975
Synonyms: (4E)-5-(3-bromophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2cccc(c2)Br)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/O

STK558976
Synonyms: (E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-2-yl)pyrrolidin-3-ylidene](4-methylphenyl)methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1cccc[nH+]1)/[O-]

STK558977
Synonyms: 4,4'-{oxybis[benzene-4,1-diyl(5-phenyl-1H-imidazole-4,2-diyl)]}bis(N,N-dimethylaniline)
Smiles: CN(c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Oc1ccc(cc1)c1nc([nH]c1c1ccccc1)c1ccc(cc1)N(C)C)C

STK558978
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: OC(=O)CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[N+](=O)[O-]

STK558979
Synonyms: N-[2-(2-{(Z)-[1-(naphthalen-1-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]heptanamide
Smiles: CCCCCCC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)c2cccc3c2cccc3)S)[nH]c2c1cccc2

STK558980
Synonyms: 2-[(E)-(2-{[(1-ethyl-1H-3,1-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]c2c(n1CC)cccc2

STK558981
Synonyms: (E)-(4-fluorophenyl){2-(3-methoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK558982
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1cccc(c1)[N+](=O)[O-]

STK558983
Synonyms: (E)-{2-(4-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-3-methylphenyl)methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC[NH+]1CCOCC1)/[O-]

STK558984
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc(c(c2)C)OC)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

STK558985
Synonyms: (5Z)-3-butyl-6-hydroxy-5-(2,3,4-trimethoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C/c2ccc(c(c2OC)OC)OC)/C1=O)O

STK558986
Synonyms: (E)-(4-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK558988
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C

STK558989
Synonyms: (E)-1-benzofuran-2-yl{2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cc(ccc1OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

STK558991
Synonyms: 4-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate
Smiles: Brc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1cccnc1

STK558992
Synonyms: (E)-[4-(benzyloxy)-2-methylphenyl]{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(cc2C)OCc2ccccc2)\[O-])/C(=O)C1=O)C

STK558993
Synonyms: (E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[NH+](C)C)/[O-])C

STK558994
Synonyms: 2-chloro-N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccccc1Cl)c1ccc(c(c1)C)C

STK558995
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccccc1)/O

STK558996
Synonyms: (4E)-6-chloro-N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1nc(n/c(=N/c2ccc(cc2C)Cl)/[nH]1)Nc1ccc(cc1C)Cl

STK558997
Synonyms: (4E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methylphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/O

STK558998
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1cccc(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

STK558999
Synonyms: N-[(E)-amino{[(2E)-4-methylquinazolin-2(3H)-ylidene]amino}methylidene]-2-(methylamino)benzamide
Smiles: CNc1ccccc1C(=O)/N=C(/N=c/1\[nH]c(C)c2c(n1)cccc2)\N

STK559000
Synonyms: 4-(4-hydroxy-1,3-dimethyl-2,6-dioxo-2,3,5,6-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)Oc1ccc(cc1)C1C2=C(N=c3c1c(O)n(C)c(=O)n3C)c1c(C2=O)cccc1

STK559001
Synonyms: (E)-(2,8-dimethylimidazo[1,2-a]pyridin-3-yl){2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: O=C1C(=O)N(C(/C/1=C(/c1c(C)nc2n1cccc2C)\[O-])c1ccccc1F)CC[NH+]1CCOCC1

STK559002
Synonyms: (E)-{1-[3-(dimethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanolate
Smiles: C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)nc3n2cccc3C)/[O-])/C1c1ccccc1F)C

STK559003
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2cccs2)\O)/C(=O)C1=O

STK559004
Synonyms: N'-{(Z)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}pyridine-4-carbohydrazide
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/NNC(=O)c2ccncc2)/C1=O)O

STK559005
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nc2c(s1)cc(cc2)OC)/O

STK559006
Synonyms: (E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Smiles: COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[O-]

STK559007
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[O-]

STK559008
Synonyms: (4E)-5-(4-fluorophenyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1N(c2cccc(c2)C(F)(F)F)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/O

STK559009
Synonyms: 2-hydroxy-5-({(E)-[5-(2-nitrophenyl)furan-2-yl]methylidene}amino)pyrimidin-4(1H)-one
Smiles: O=c1nc(O)[nH]cc1/N=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK559010
Synonyms: (4E)-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2C)OC)/O)/C1c1ccc(c(c1)OC)OCC

STK559012
Synonyms: 3-{[(E)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methylidene]amino}-2-hydroxy-9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1cccc2c1c1nc(O)n(c(=O)c1[nH]2)/N=C/C1=CCC2CC1C2(C)C

STK559013
Synonyms: (4E)-1-(furan-2-ylmethyl)-4-[hydroxy(4-methylphenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)Cc1ccco1)/O

STK559014
Synonyms: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Br)/O)/C1c1cccc(c1)[N+](=O)[O-]

STK559016
Synonyms: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc(cc2)OC)\O)/C(=O)C1=O

STK559017
Synonyms: (E)-(4-methylphenyl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CC[NH+]1CCOCC1)/[O-]

STK559018
Synonyms: (5E)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-1-(2,5-dimethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(c(c1)N1C(=NC(=O)/C(=C\NC2CCN(CC2)Cc2ccccc2)/C1=O)S)OC

STK559019
Synonyms: (5Z)-5-{[(1-benzylpiperidin-4-yl)amino]methylidene}-3-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(/C(=C/NC2CCN(CC2)Cc2ccccc2)/C1=O)O

STK559020
Synonyms: 3-(3,3-dichloroprop-2-en-1-yl)-4,6-dimethylquinolin-2(1H)-one
Smiles: ClC(=CCc1c(=O)[nH]c2c(c1C)cc(cc2)C)Cl

STK559021
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccncc2)/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C1=O)CC

STK559022
Synonyms: (E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](4-propoxyphenyl)methanolate
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)Cc1ccc[nH+]c1)/[O-]

STK559024
Synonyms: (4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)CC1CCCO1)/O

STK559025
Synonyms: 8-(hexylsulfanyl)-6-hydroxy-3,7-dimethyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCSc1nc2c(n1C)c(O)nc(=O)n2C

STK559026
Synonyms: (4E)-5-(4-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)F)\O)/C(=O)C1=O

STK559027
Synonyms: N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]pyridine-4-carboxamide
Smiles: CCOc1ccc(cc1)N(C(=O)c1ccncc1)Cc1cc2ccc(cc2[nH]c1=O)C

STK559029
Synonyms: 2-{[6-hydroxy-1-(2-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2ccccc2C)nc(=O)cc1O

STK559030
Synonyms: (E)-{2-(3-chlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1cccc(c1)Cl)CC

STK559031
Synonyms: N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(c1ccc(c(c1)C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK559033
Synonyms: 1-(4-ethoxyphenyl)-3-[(2E)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: CCOc1ccc(cc1)NC(=O)/N=c/1\[nH]nc(s1)Cc1ccc(cc1)[N+](=O)[O-]

STK559034
Synonyms: 4-{(E)-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenolate
Smiles: COc1cc(/C=N/NC(=O)CSc2[nH+]nc(n2c2ccc(cc2)C)c2ccc(cc2)C)ccc1[O-]

STK559035
Synonyms: N-(4-chlorobenzyl)-2-hydroxy-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide
Smiles: CCCCCn1c(O)c(C(=O)NCc2ccc(cc2)Cl)c(=O)c2c1cccc2

STK559036
Synonyms: (E)-{2-(4-bromophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCC[NH+]1CCOCC1)/[O-])C

STK559037
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(furan-2-yl)methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccco2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK559038
Synonyms: 2-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]-6-ethoxyphenolate
Smiles: CCOc1cccc(c1[O-])/C=N/NC(=O)CSc1n[nH+]c(s1)SCc1ccc(cc1)Cl

STK559039
Synonyms: methyl2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC

STK559040
Synonyms: (E)-(7-methoxy-1-benzofuran-2-yl){2-(3-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1cccc(c1)C1/C(=C(/c2oc3c(c2)cccc3OC)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

STK559041
Synonyms: 7-(3-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=NC2(C(F)(F)F)C(F)(F)F)c1cccc(c1)F)O

STK559043
Synonyms: 3-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: O=C(N(c1ccccc1)Cc1cc2ccccc2[nH]c1=O)c1cccc(c1)[N+](=O)[O-]

STK559048
Synonyms: 4-{(1Z)-1-[2-({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C(\c2ccc(cc2)[O-])/CC)[nH+]nc1c1ccc(cc1)C

STK559050
Synonyms: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc(o2)Sc2ccccc2)/C1=O)O

STK559051
Synonyms: (E)-(1-[3-(dimethylammonio)propyl]-2-{4-[2-(2-methylphenoxy)ethoxy]phenyl}-4,5-dioxopyrrolidin-3-ylidene)(thiophen-2-yl)methanolate
Smiles: C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccs2)/[O-])/C1c1ccc(cc1)OCCOc1ccccc1C)C

STK559052
Synonyms: (E)-{2-(4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)CCC[NH+]1CCOCC1)/[O-])C

STK559053
Synonyms: (phenylsulfonyl){3-[3-(prop-2-en-1-yl)-1H-imidazol-3-ium-1-yl]quinoxalin-2-yl}azanide
Smiles: C=CC[n+]1ccn(c1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1

STK559054
Synonyms: (5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)N1C(=NC(=O)/C(=C\NCCCN(C)C)/C1=O)S

STK559055
Synonyms: (5E)-1-butyl-5-({[3-(diethylamino)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NCCCN(CC)CC)/C1=O)S

STK559056
Synonyms: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: CC1CCc2c(C1)s/c(=N/C(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)/[nH]2

STK559057
Synonyms: (5E)-6-hydroxy-3-methyl-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C\NCCN2CCNCC2)/C(=O)N1C

STK559058
Synonyms: 2-chloro-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)benzamide
Smiles: Cc1ccccc1N(C(=O)c1ccccc1Cl)Cc1cc2cccc(c2[nH]c1=O)C

STK559059
Synonyms: (E)-(3,4-dimethoxyphenyl){2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+]1CCOCC1)/[O-]

STK559060
Synonyms: 7-hydroxy-1-(pentan-3-yl)-4-[4-(pentyloxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)CC)O

STK559061
Synonyms: (2-oxo-1,2-dihydroquinolin-3-yl)methyl4-chlorobenzoate
Smiles: Clc1ccc(cc1)C(=O)OCc1cc2ccccc2[nH]c1=O

STK559063
Synonyms: (2E,5Z)-2-[(4-chlorophenyl)imino]-5-(2-methoxybenzylidene)-2,5-dihydro-1,3-thiazol-4-ol
Smiles: COc1ccccc1/C=C/1\S/C(=N/c2ccc(cc2)Cl)/N=C1O

STK559064
Synonyms: (5E)-1-butyl-5-({[3-(morpholin-4-yl)propyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=NC(=O)/C(=C\NCCCN2CCOCC2)/C1=O)S

STK559066
Synonyms: (E)-1-benzofuran-2-yl{2-(5-methylfuran-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(o1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/[O-]

STK559067
Synonyms: 1-(2-methoxyphenyl)-3-[(2E)-5-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Smiles: COc1ccccc1NC(=O)/N=c/1\[nH]nc(s1)c1ccc(cc1)C

STK559068
Synonyms: (E)-{2-(3-methoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(o2)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK559069
Synonyms: N-[(2E)-5-{[(2E)-2-benzylidenehydrazinyl]carbonyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]-4-methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)/N=c\1/sc(c([nH]1)C)C(=O)N/N=C/c1ccccc1

STK559070
Synonyms: 3,3-dimethyl-11-(3-phenoxyphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(NC2c2cccc(c2)Oc2ccccc2)cccc3)CC(C1)(C)C

STK559071
Synonyms: (4E)-5-(2-chlorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1Cl)Cc1ccco1)/c1ccccc1

STK559072
Synonyms: methyl4-(5-{(Z)-[1-(4-chlorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)O

STK559073
Synonyms: N-[(2E)-5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-nitrobenzamide
Smiles: Fc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)c2cccc(c2)[N+](=O)[O-])/s1

STK559074
Synonyms: (4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK559075
Synonyms: (E)-{2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STK559076
Synonyms: 1-[3-(4-fluorophenyl)-1-hydroxy-11-(3-nitrophenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Smiles: CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)F)C1c1cccc(c1)[N+](=O)[O-]

STK559077
Synonyms: 4,4'-dibenzo[b,d]furan-2,8-diylbis[5-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazole]
Smiles: COc1cc(OC)c(cc1c1nc(c([nH]1)c1ccccc1)c1ccc2c(c1)c1cc(ccc1o2)c1nc([nH]c1c1ccccc1)c1cc(OC)c(cc1OC)OC)OC

STK559078
Synonyms: (E)-{2-(4-tert-butylphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3,4-dimethoxyphenyl)methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)CCC[NH+](C)C)/[O-]

STK559079
Synonyms: N-(2,4-dimethylphenyl)-2-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COc1ccccc1C(=O)N(c1ccc(cc1C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK559080
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-phenylbenzamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccccc1)c1ccccc1

STK559081
Synonyms: 6-hydroxy-7-(2-{2-[2-hydroxy-3-methyl-6-oxo-8-(piperidin-1-yl)-3,6-dihydro-7H-purin-7-yl]ethoxy}ethyl)-3-methyl-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCOCCn1c(nc2c1c(=O)nc(n2C)O)N1CCCCC1)N1CCCCC1)O

STK559082
Synonyms: (E)-(4-bromophenyl){1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Br)/[O-])/C1c1ccccc1F)CC

STK559083
Synonyms: (E)-(4-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}methanolate
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccncc2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[O-]

STK559084
Synonyms: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: C=CCC1(C#N)C(=NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)S

STK559085
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

STK559086
Synonyms: 7-decyl-6-hydroxy-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCn1c(SCCCCC)nc2c1c(O)nc(=O)n2C

STK559087
Synonyms: (E)-{1-[3-(diethylammonio)propyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)OC)/[O-])/C1c1ccc(c(c1)OC)OC)CC

STK559089
Synonyms: 2-[(E)-(2-{[(1-methyl-1H-3,1-benzimidazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/NC(=O)CSc1[nH+]c2c(n1C)cccc2