FULL DB

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

STK554427
Synonyms: N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-phenylpropyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)NCCC(c1ccccc1)C1CCOC(C1)(C)C

STK554428
Synonyms: 1',3',3'-trimethyl-5-nitro-7-(propan-2-yloxy)-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: CC(Oc1cc2OC3(C=Cc2c(c1)[N+](=O)[O-])N(C)c1c(C3(C)C)cccc1)C

STK554429
Synonyms: 6-butyl-9-(3,4-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(c(c2)C)C)n(nc1C)c1ccccc1

STK554431
Synonyms: ethyl4-({(2E)-3-(3,4-diethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1

STK554432
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)C

STK554433
Synonyms: 3-(4-methylphenyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)c1CCCCc1s2

STK554435
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK554437
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC)C

STK554438
Synonyms: methyl3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)ccc(c2)OC

STK554439
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1cccnc1

STK554440
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554441
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(3-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(cc1)Cl

STK554442
Synonyms: dimethyl3-methyl-5-{[3-(3-methylphenoxy)propanoyl]amino}thiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc(c1C)C(=O)OC

STK554444
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(4-propoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554445
Synonyms: methyl3-[(2-bromohexanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cccc2)C(=O)OC)Br

STK554446
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554447
Synonyms: (2E)-2-[(2-methylphenyl)imino]-6-nitro-4H-1,3-benzodithiin-4-one
Smiles: Cc1ccccc1/N=c\1/sc(=O)c2c(s1)ccc(c2)[N+](=O)[O-]

STK554448
Synonyms: ethyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554449
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-chlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554452
Synonyms: 8-chloro-3-{[(E)-(4-fluorophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK554453
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554454
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)C

STK554455
Synonyms: 8-methyl-3-[3-(propan-2-yloxy)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CC(OCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)C

STK554456
Synonyms: 4-[(4aR,4bS,7aR,8S)-8-[(4-chlorophenyl)carbamoyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)N=CC=C1

STK554457
Synonyms: 3-{[(E)-(3-fluorophenyl)methylidene]amino}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1cccc(c1)F

STK554458
Synonyms: 7-({3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl}amino)-3-tert-butyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCNCc1ccc3c(c1)OCO3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C

STK554459
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nc2c(c1=O)cccc2

STK554460
Synonyms: [(1S,2R,3S,3aR)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](3-nitrophenyl)methanone
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1

STK554461
Synonyms: 2-imino-10-methyl-3-(phenylsulfonyl)-1-(pyridin-4-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: O=c1c2cc(c(=N)n(c2nc2n1cccc2C)Cc1ccncc1)S(=O)(=O)c1ccccc1

STK554462
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554464
Synonyms: (3aS,4R,9aS,9bR)-2-(3-fluorophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)F)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554467
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(3-bromophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2

STK554469
Synonyms: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)c1CCCCc1s2

STK554470
Synonyms: (5Z)-3-(phenylamino)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1Nc1ccccc1

STK554472
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C

STK554473
Synonyms: N-[4-(acetylamino)phenyl]-2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK554474
Synonyms: 3-(4-chlorophenyl)-2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554475
Synonyms: 3-(2,2-dimethoxyethyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COC(Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)OC

STK554476
Synonyms: 2-(2-chloro-6-fluorophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1c(F)cccc1Cl

STK554481
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554482
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(2,5-dimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(c(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC)OC

STK554485
Synonyms: 2'-(4-bromophenyl)-7'-methoxy-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc(cc1)Br

STK554487
Synonyms: 3-{4-(4-bromophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1cc(C)ccc1C

STK554488
Synonyms: ethyl1-{3-[(1-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554489
Synonyms: 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554490
Synonyms: 3-(2-hydroxy-4-nitrophenyl)-5-[4-(pentyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1O)[N+](=O)[O-]

STK554491
Synonyms: 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(c(c1)OC)C1=CC(n2c(N1)ncn2)c1ccc(c(c1)OC)OC

STK554492
Synonyms: 6-(biphenyl-4-yl)-2,3-dimethyl-7-phenylimidazo[1,2-b][1,2,4]triazine
Smiles: Cc1nn2c(nc1C)nc(c2c1ccccc1)c1ccc(cc1)c1ccccc1

STK554493
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554494
Synonyms: ethyl1-{3-[(3-tert-butyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554495
Synonyms: 3-(4-bromophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2

STK554496
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554497
Synonyms: 2-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCN(CC2)C)nc(cc1c1cccs1)c1cccs1

STK554498
Synonyms: 1-benzyl-9'-bromo-2'-(2,4-dimethoxyphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)Cc1ccccc1

STK554499
Synonyms: (9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-7-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2Cl)/C2=C(C1)C(c1ccccc1Cl)n1c(=N2)scc1c1ccc(cc1)C

STK554500
Synonyms: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-iodo-3,4-dimethyl-2H-chromen-2-one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1I)oc(=O)c(c2C)C

STK554501
Synonyms: methyl3-[(E)-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}diazenyl]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)cccc2

STK554502
Synonyms: N-[(4E)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]-N'-phenylbenzene-1,4-diamine
Smiles: CCOc1ccc/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C

STK554503
Synonyms: 1-(2-{[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]oxy}ethyl)-3-phenylurea
Smiles: CSc1nc(OCCNC(=O)Nc2ccccc2)nc(n1)N(C)C

STK554504
Synonyms: 3-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2

STK554507
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}propanoicacid
Smiles: OC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK554508
Synonyms: 17-[2-(piperazin-1-yl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione(non-preferredname)
Smiles: O=C1C2C(C(=O)N1CCN1CCNCC1)C1c3c(C2c2c1cccc2)cccc3

STK554509
Synonyms: 6-ethyl-6-methyl-2-(methylsulfanyl)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)SCc2c(C1)c1c(s2)nc(n(c1=O)c1ccccc1)SC

STK554510
Synonyms: 6-butyl-9-(4-ethylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)n(nc1C)c1ccccc1

STK554511
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3-methoxyphenyl)carbonyl]-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK554512
Synonyms: 3,3'-(hydroxyimino)bis[1-(2-nitrophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

STK554514
Synonyms: methyl5-methyl-3-({[(1R,2S)-2-phenylcyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1)cc(cc2)C

STK554516
Synonyms: 3-{[6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCCCNC1NC(=Nc2c1c1CC(C)(C)OCc1s2)SC

STK554517
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1nc2s/c(=C\c3cccc(c3)[N+](=O)[O-])/c(=O)n2nc1Cc1ccccc1Cl

STK554518
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C

STK554520
Synonyms: 5-(4-bromophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)Br

STK554521
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554522
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)C

STK554523
Synonyms: 5-(4-bromophenyl)-9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)Br)c1ccccc1

STK554525
Synonyms: 3-chloro-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK554526
Synonyms: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-{[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1cccc2c1cccc2)COc1ccccc1C

STK554527
Synonyms: 4-{(1E)-2-(acetylamino)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCCc1ccccc1

STK554528
Synonyms: 3-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)c1CCCCc1s2

STK554529
Synonyms: 3-butyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Oc1ccccc1

STK554530
Synonyms: 9-bromo-2-(4-chlorophenyl)-5-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccnc1)c1ccc(cc1)Cl

STK554532
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(2-chlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1ccccc1Cc1nn2c(nc1=O)s/c(=C\c1ccccc1Cl)/c2=O

STK554533
Synonyms: benzyl{4-(methylsulfanyl)-1-oxo-1-[(pyridin-3-ylmethyl)amino]butan-2-yl}carbamate
Smiles: CSCCC(C(=O)NCc1cccnc1)NC(=O)OCc1ccccc1

STK554536
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(naphthalen-2-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK554538
Synonyms: 9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)C(C)C)F

STK554539
Synonyms: (5Z)-3-(4-chlorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)Cl

STK554541
Synonyms: 2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK554542
Synonyms: 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1C1C=C(Nc2n1ncn2)c1ccc(cc1)C

STK554543
Synonyms: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C

STK554544
Synonyms: methyl6-methoxy-3-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)ccc(c2)OC

STK554546
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STK554547
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C)N1C2CC(=N1)c1ccc2c(c1)OCCO2

STK554550
Synonyms: 3-[5-(4-bromophenyl)-5-hydroxy-3-phenyl-1,2-oxazolidin-2-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N1OC(CC1c1ccccc1)(O)c1ccc(cc1)Br

STK554551
Synonyms: 3-tert-butyl-7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCc3c(C1)cccc3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C

STK554552
Synonyms: 2-(benzylsulfanyl)-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)c1CCCc1s2

STK554554
Synonyms: 3-(4-chlorophenyl)-2-[(3,4-dichlorobenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2

STK554555
Synonyms: ethyl5-methoxy-1,2-dimethyl-4-{[(3-methylpiperidin-1-yl)acetyl]amino}-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCCC(C1)C)c(OC)cc2)C

STK554556
Synonyms: 5-(4-butoxyphenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)O

STK554558
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554559
Synonyms: 8-[3-(hexyloxy)phenyl]-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCCCCCOc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK554560
Synonyms: {(2Z)-2-[(2E)-(2,4-dihydroxybenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}aceticacid
Smiles: OC(=O)CC1S/C(=N\N=C\c2ccc(cc2O)O)/N(C1=O)C

STK554561
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554562
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK554563
Synonyms: 4-({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2

STK554564
Synonyms: (iodomethyl)(diphenyl)phosphaneoxide
Smiles: ICP(=O)(c1ccccc1)c1ccccc1

STK554567
Synonyms: methyl3-{(E)-[4-(2-fluorophenyl)piperazin-1-yl]diazenyl}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1F)cccc2

STK554569
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone
Smiles: CCOc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554571
Synonyms: 8-methoxy-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: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK554572
Synonyms: 5-(methylsulfanyl)-8,9,10,11-tetrahydro-7H-[1,2,4]triazolo[1',5':1,6]pyrimido[4,5-b]indole
Smiles: CSc1nc2[nH]c3c(c2c2n1ncn2)CCCC3

STK554574
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[4-(prop-2-en-1-yloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: C=CCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC

STK554575
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)Nc1ccc(cc1)Cl

STK554576
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554578
Synonyms: 5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br

STK554579
Synonyms: ethyl4-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)Cc1ccccc1)c(OC)cc2)C

STK554580
Synonyms: ethyl4-({[4-(2-fluorophenyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccc1F)c(OC)cc2)C

STK554581
Synonyms: 2-imino-1-(4-methylbenzyl)-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc(cc1)Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

STK554582
Synonyms: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc2c(s1)cccc2

STK554584
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccc(c(c2)OC)OC)/C1=O

STK554585
Synonyms: 9,9-dimethyl-12-(morpholin-4-yl)-3,4,8,11-tetrahydro-2H,9H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e]pyrimido[1,2-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncn1c2=NCCC1

STK554587
Synonyms: 1,3-dimethyl-8-(3-methylphenyl)-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cccc(c1)n1c2nc3c(n2cc1C12CC4CC(C2)CC(C1)C4)c(=O)n(c(=O)n3C)C

STK554588
Synonyms: N-(3-bromophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554589
Synonyms: methyl3-({3-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)F

STK554590
Synonyms: 6-iodo-2-methyl-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)C)c1ccc2c(c1)cccc2

STK554592
Synonyms: 3-chloro-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2cccc(c2)Cl)cc(c1OC)OC

STK554593
Synonyms: 2-(3-bromo-2,6-dimethyl-4-oxoquinolin-1(4H)-yl)-N-(3,4-dimethylphenyl)acetamide
Smiles: Cc1ccc2c(c1)c(=O)c(c(n2CC(=O)Nc1ccc(c(c1)C)C)C)Br

STK554594
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C

STK554595
Synonyms: (2Z)-2-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}-3-ethoxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1C(CC)C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK554596
Synonyms: 3-(4-bromophenyl)-2-[(2-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCCCc1s2

STK554597
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554598
Synonyms: 3-(4-chlorophenyl)-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(c(c1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)OC

STK554599
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554600
Synonyms: 3-methyl-7-{[3-(4-phenylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCN(CC1)c1ccccc1)c(=O)c1c(c2=O)cccc1

STK554602
Synonyms: 3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK554603
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)C

STK554604
Synonyms: 3-butyl-6-chloro-10-phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccccc2)cccc1Cl

STK554605
Synonyms: 3-tert-butyl-7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554606
Synonyms: 2'-(2,4-dimethoxyphenyl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C(C)C)OC

STK554607
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)Cl

STK554608
Synonyms: 2'-(2,4-dimethoxyphenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C)OC

STK554609
Synonyms: 8-(benzyloxy)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1

STK554611
Synonyms: 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK554612
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK554614
Synonyms: 8-(benzyloxy)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1)C

STK554615
Synonyms: 4-acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Smiles: COc1ccc(cc1)C1C(=C(O)CC(C1(C#N)C#N)(C#N)C#N)C(=O)C

STK554617
Synonyms: 3-butyl-10-(4-ethylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)cccc1

STK554619
Synonyms: 3,3'-(hydroxyimino)bis[1-(naphthalen-1-yl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc2c1cccc2)C1CC(=O)N(C1=O)c1cccc2c1cccc2

STK554620
Synonyms: ethyl5-methoxy-1,2-dimethyl-4-[(thiophen-2-ylcarbonyl)amino]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2c(NC(=O)c3cccs3)c(OC)ccc2n(c1C)C

STK554621
Synonyms: methyl3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)ccc(c2)OC

STK554622
Synonyms: 2-[(3-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2

STK554623
Synonyms: 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: C/C(=C\CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C)/Cl

STK554624
Synonyms: (1E)-N-{[(2-fluorophenyl)carbamoyl]oxy}ethanimidoylchloride
Smiles: O=C(Nc1ccccc1F)O/N=C(/Cl)\C

STK554625
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-N-(3-methylbutyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)C

STK554626
Synonyms: (2'S,3'S)-3'-acetyl-2'-phenyl-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: CC(=O)[C@H]1N2N=Cc3c(C2[C@@]2([C@@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK554628
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554629
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK554630
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CC1Oc2ccccc2C=C1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554631
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(4-acetylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C

STK554633
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nc2c(c1=O)cccc2

STK554634
Synonyms: methyl5-fluoro-3-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(cc2)F

STK554635
Synonyms: methyl3-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cccc2

STK554636
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554637
Synonyms: N-(2-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK554638
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1c1ccc(cc1)Cl

STK554639
Synonyms: 4-{(1E)-2-(acetylamino)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCc1ccco1

STK554640
Synonyms: 5-(3-chloro-2-methylphenyl)-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc(c1C)Cl)c1cccs1)c1ccccc1

STK554641
Synonyms: (2E)-2-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK554642
Synonyms: N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554643
Synonyms: methyl(1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554645
Synonyms: methyl3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)ccc(c2)OC

STK554646
Synonyms: methyl(1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3c(N2[C@H]([C@@H]1c1ccco1)C(=O)C(C)(C)C)cccc3

STK554647
Synonyms: (2Z)-2-(4-bromobenzylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)Br)/c2=O

STK554648
Synonyms: (5E)-5-(3,4-diethoxybenzylidene)-2,3-diphenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: CCOc1cc(ccc1OCC)/C=C\1/N=C(N(C1=O)c1ccccc1)c1ccccc1

STK554649
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554651
Synonyms: methyl3-{[3-(3,5-dimethylpiperidin-1-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)CC(C1)C)cc(cc2)F

STK554652
Synonyms: N-(4-chlorophenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK554653
Synonyms: 4-[({[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK554654
Synonyms: 1-ethyl-7'-methoxy-2'-(pyridin-3-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cccnc1

STK554655
Synonyms: 2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK554656
Synonyms: N-(3,5-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nc2c(c1=O)cccc2

STK554657
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(4-methoxyphenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK554659
Synonyms: 3-[hydroxy(phenyl)amino]-1-[4-(pentyloxy)phenyl]pyrrolidine-2,5-dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554660
Synonyms: (3-nitrophenyl)[(1S,2R,3S,3aR)-3-nitro-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: [O-][N+](=O)[C@H]1[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554662
Synonyms: (5Z)-3-(naphthalen-2-yl)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1c1ccc2c(c1)cccc2

STK554663
Synonyms: 4-[(1E)-2-(acetylamino)-3-(butylamino)-3-oxoprop-1-en-1-yl]phenyl4-methylbenzenesulfonate
Smiles: CCCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

STK554664
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1cccnc1

STK554665
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[(3-methylthiophen-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1sccc1C)/c2=O

STK554666
Synonyms: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c(s2)ncn2c1nnc2SCc1ccc2c(c1)OCO2)C

STK554667
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554668
Synonyms: propan-2-yl{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C

STK554669
Synonyms: 2,2'-[(11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]diacetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)N)nn1)CCC(C3)C(C)(C)C

STK554670
Synonyms: 4-({[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3

STK554672
Synonyms: 3,3'-(hydroxyimino)bis[1-(4-nitrophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-]

STK554673
Synonyms: 7-({3-[(2-hydroxyethyl)(methyl)amino]propyl}amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: OCCN(CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554674
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[4-(dimethylamino)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)N(C)C)/c2=O

STK554675
Synonyms: 3-(4-ethoxyphenyl)-2-[(2-fluorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2F)nc2c(c1=O)cccc2

STK554676
Synonyms: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCCCc1s2

STK554677
Synonyms: methyl2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-[(3-fluorophenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)F)Nc1ccc(cn1)Br

STK554678
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccc2c(c1)OCO2

STK554679
Synonyms: 2-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2ccc(cc2[N+](=O)[O-])Cl)nc2c(c1=O)cc(cc2)I

STK554680
Synonyms: 2-(phenoxymethyl)-3-{[(E)-phenylmethylidene]amino}quinazolin-4(3H)-one
Smiles: O=c1n(/N=C/c2ccccc2)c(COc2ccccc2)nc2c1cccc2

STK554681
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(3,4,5-trimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1cc(OC)c(c(c1)OC)OC)/c2=O

STK554682
Synonyms: N-(3,4-difluorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nc2c(c1=O)c1CCCCc1s2

STK554684
Synonyms: methyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554685
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NC(=O)C

STK554687
Synonyms: 8-chloro-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1ccc(cc1)C(C)C

STK554688
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(4-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Fc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554689
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2)[N+](=O)[O-]

STK554691
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554692
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK554693
Synonyms: 3-butyl-6-chloro-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Cl)cccc1Cl

STK554695
Synonyms: 6,8-dichloro-9-(diethylamino)-1,4-dioxaspiro[4.4]non-8-en-7-one
Smiles: CCN(C1=C(Cl)C(=O)C(C21OCCO2)Cl)CC

STK554696
Synonyms: ethyl4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-1,5,6,7-tetrahydro-9H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9-yl)benzoate
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)C(=O)OCC)n(nc1C)c1ccccc1

STK554697
Synonyms: methyl3-[(2-bromohexanoyl)amino]-5-methyl-1H-indole-2-carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC)Br

STK554698
Synonyms: 3-(biphenyl-4-yl)-1-(2-hydroxyethyl)-7,9-dimethyl-4-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: OCCN1N=C(c2ccc(cc2)c2ccccc2)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK554699
Synonyms: 2-phenyl-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: c1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK554700
Synonyms: 2-[(5-ethyl-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-[(1-phenylcyclopentyl)methyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NCC1(CCCC1)c1ccccc1)nn2)CC(OC3)(C)C

STK554702
Synonyms: 11-(2,3-dimethoxyphenyl)-N-(3-methoxyphenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2OC)OC)c(nn1c1ccccn1)C

STK554704
Synonyms: N-(2,6-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1c1cccnc1

STK554705
Synonyms: 3-hydroxy-2-[(2E)-2-(3-hydroxybenzylidene)hydrazinyl]quinazolin-4(3H)-one
Smiles: Oc1cccc(c1)/C=N/Nc1nc2ccccc2c(=O)n1O

STK554706
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554709
Synonyms: (1'S,2'S,3R,3a'R)-2'-(furan-2-ylcarbonyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)c1ccccc1

STK554710
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554711
Synonyms: 7-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: COc1ccccc1N1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK554712
Synonyms: N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)undec-10-enehydrazide
Smiles: C=CCCCCCCCCC(=O)NNC1CC(=O)N(C1=O)c1ccccc1

STK554713
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK554714
Synonyms: 5-(3,4-dichlorophenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(c1cccc(c1)[N+](=O)[O-])N(O2)c1ccccc1

STK554715
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK554717
Synonyms: 3-[hydroxy(phenyl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554718
Synonyms: 7-({3-[benzyl(methyl)amino]propyl}amino)-3-tert-butyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN(Cc1ccccc1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554719
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(ccc2OC)NC(=O)C)nnc1c1cccnc1

STK554720
Synonyms: ethyl5,5-dimethyl-2-[(phenylcarbamoyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC(C)(C)OC2

STK554722
Synonyms: 9-(4-bromophenyl)-6-butyl-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Br)n(nc1C)c1ccccc1

STK554723
Synonyms: 11-(9-ethyl-9H-carbazol-3-yl)-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(c1)c1ccccc1n2CC

STK554724
Synonyms: methyl4-[({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554726
Synonyms: N-(2,5-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554727
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554728
Synonyms: 1,3-dimethyl-2,6-diphenylpiperidin-4-ol
Smiles: CC1C(O)CC(N(C1c1ccccc1)C)c1ccccc1

STK554729
Synonyms: 1-(2-bromophenyl)-3-[hydroxy(phenyl)amino]pyrrolidine-2,5-dione
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1Br)c1ccccc1

STK554730
Synonyms: 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK554732
Synonyms: 3,3'-(hydroxyimino)bis[1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1c(C)cccc1C)C1CC(=O)N(C1=O)c1c(C)cccc1C

STK554733
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554734
Synonyms: 2-amino-N-(4-fluorobenzyl)-1-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccco1

STK554735
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3,4-dimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554736
Synonyms: 1-benzyl-2'-(2,4-dichlorophenyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(cc1Cl)Cl

STK554737
Synonyms: (3aS,4R,9aS,9bR)-2-(4-bromophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)Br)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554738
Synonyms: dimethyl5-{[(4-butoxyphenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC

STK554740
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(Cl)cccc1Cl

STK554741
Synonyms: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2

STK554742
Synonyms: 7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCCN1CCCC1

STK554744
Synonyms: 7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK554746
Synonyms: 3-bromo-N-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]aniline
Smiles: Brc1cccc(c1)NCc1ccc(cc1)N1N=C(C(C1c1ccccc1)(C)C)c1ccccc1

STK554748
Synonyms: 3,3'-(hydroxyimino)bis[1-(4-bromophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)Br)C1CC(=O)N(C1=O)c1ccc(cc1)Br

STK554749
Synonyms: (6Z)-6-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-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)N1CCCCC1

STK554750
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK554751
Synonyms: 3-({(E)-[4-(dimethylamino)phenyl]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(cc1)N(C)C

STK554752
Synonyms: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)C)Br

STK554755
Synonyms: N-(4-ethoxyphenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK554757
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-(3-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK554758
Synonyms: 3-(2-methoxyphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1C

STK554759
Synonyms: 5-(4-chlorophenyl)-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)c1ccc(cc1)Cl)OC

STK554760
Synonyms: 11-(ethylsulfanyl)-1-[(3-methylbutyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCCC(C)C)nn2)CCCC3

STK554761
Synonyms: (6Z)-5-imino-6-{4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK554762
Synonyms: (8S,8aR,11aS,11bS)-10-(4-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: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK554763
Synonyms: 2-[(naphthalen-2-yloxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: c1ccc2c(c1)CC1(c3c2ncn2c3nc(n2)COc2ccc3c(c2)cccc3)CCCC1

STK554764
Synonyms: N,N-diethyl-2-{[4-(3-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)N(CC)CC

STK554765
Synonyms: 3-[(Z)-(3-ethyl-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: CCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK554766
Synonyms: (5Z)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])Cl

STK554767
Synonyms: 3-butyl-8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C

STK554768
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(3-nitrophenyl)-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)c1cccc(c1)[N+](=O)[O-]

STK554770
Synonyms: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK554771
Synonyms: 6-(4-ethoxyphenyl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1

STK554772
Synonyms: 1-[(3,4-dimethoxybenzyl)oxy]-3-(3-nitrophenyl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc(c1)[N+](=O)[O-])[O-]

STK554774
Synonyms: (6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)s1)CC

STK554775
Synonyms: 3-[(1E)-2-(4-ethoxyphenyl)-2-oxo-1-(2-phenylhydrazinylidene)ethyl]quinoxalin-2(1H)-one
Smiles: CCOc1ccc(cc1)C(=O)/C(=N/Nc1ccccc1)/c1nc2ccccc2[nH]c1=O

STK554776
Synonyms: N-(2-chlorophenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK554777
Synonyms: (6Z)-6-{[5-(3-chlorophenyl)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: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK554778
Synonyms: 10-(morpholin-4-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3ncn1

STK554779
Synonyms: N-(4-bromophenyl)-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)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)CC

STK554781
Synonyms: N-(4-chlorophenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK554782
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(2-methoxyphenyl)-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)c1ccccc1OC

STK554783
Synonyms: 3-(2-chloroquinolin-3-yl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK554785
Synonyms: (6Z)-6-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccccc1F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554786
Synonyms: 3-(4-chlorophenyl)-5-(naphthalen-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2

STK554787
Synonyms: 5-(4-chlorophenyl)-3-(2-hydroxy-4-nitrophenyl)-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)c1ccc(cc1O)[N+](=O)[O-]

STK554788
Synonyms: N~2~-(4-methoxyphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]

STK554789
Synonyms: 4-[(8S,8aR,11aS,11bS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccccc1

STK554790
Synonyms: 2,5-diphenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1cccnc1)N(O2)c1ccccc1

STK554792
Synonyms: 9-bromo-5-[4-(hexyloxy)-3-methoxyphenyl]-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK554793
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-[4-(2-phenoxyethoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3)/C2=N)s1

STK554794
Synonyms: 3-(3-ethoxyphenyl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)OC

STK554795
Synonyms: 2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1nc2c([nH]1)cccc2

STK554796
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)C

STK554797
Synonyms: 3-(4-nitrophenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1

STK554798
Synonyms: 4-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1sc2n(n1)c(nn2)c1ccc(cc1)Cl)CC

STK554799
Synonyms: 6-iodo-3-(4-methoxyphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCOCC2)nc2c(c1=O)cc(cc2)I

STK554803
Synonyms: 5-nitro-N~2~-(2-phenylethyl)-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCc1ccccc1

STK554804
Synonyms: (6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-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\c3ccc(o3)c3cccc(c3)[N+](=O)[O-])/C2=N)s1

STK554805
Synonyms: N-(3-chloro-2-methylphenyl)-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(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK554806
Synonyms: (5-methoxy-2-methyl-1H-indol-3-yl)[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc2c(c1)c(c([nH]2)C)C(=O)N1CCN(C(C1)C)c1cccc(c1)C

STK554807
Synonyms: 3-(3-chlorophenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK554808
Synonyms: N-carbamimidoyl-4-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK554809
Synonyms: 2-methoxy-6-{4-[(2-methylcyclohexyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(NC2CCCCC2C)c2c(n1)cccc2

STK554810
Synonyms: 2-(4-{[2-(morpholin-4-yl)ethyl]amino}quinazolin-2-yl)phenol
Smiles: Oc1ccccc1c1nc(NCCN2CCOCC2)c2c(n1)cccc2

STK554811
Synonyms: 2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK554812
Synonyms: (8S,8aR,11aS,11bS)-10-(4-nitrophenyl)-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]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1

STK554813
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(4-methylphenyl)-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)C

STK554816
Synonyms: (6Z)-6-[3-chloro-4-(3-phenoxypropoxy)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(c(c1)Cl)OCCCOc1ccccc1)c1cccnc1

STK554818
Synonyms: methyl{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)OC)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK554819
Synonyms: (6Z)-6-[3-ethoxy-4-(3-phenoxypropoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554821
Synonyms: 10-ethyl-10-methyl-3-(methylsulfanyl)-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(SC)nn2)CC(OC3)(C)CC

STK554823
Synonyms: N-(3-chlorophenyl)-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)Nc2cccc(c2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK554824
Synonyms: 6-(2-chlorophenyl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1Cl

STK554828
Synonyms: 5-nitro-2-(piperidin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCCC1

STK554829
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK554830
Synonyms: 2-imino-1-(4-methylbenzyl)-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: Cc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NC(c1ccccc1)C

STK554831
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br

STK554832
Synonyms: 5-nitro-2-(pyrrolidin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCC1

STK554834
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-methoxyphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OC)nn2)CC(OC3)(C)CC

STK554836
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccccc1C

STK554837
Synonyms: N-(3-chlorophenyl)-2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1cccc(c1)Cl)SC

STK554838
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCC(C)C)nc(c1[N+](=O)[O-])N

STK554839
Synonyms: 4-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK554840
Synonyms: 1-[(3,4-dimethoxybenzyl)oxy]-3-(naphthalen-1-yl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc2c1cccc2)[O-]

STK554841
Synonyms: 2-chloro-N-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}benzamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccccc1Cl

STK554842
Synonyms: N-[(2Z)-3-[2-(morpholin-4-yl)ethyl]-4-[3-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: O=S(=O)(c1cccc(c1)c1cs/c(=N\c2ccccc2)/n1CCN1CCOCC1)N1CCOCC1

STK554843
Synonyms: 5-({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonyl)-2H-pyran-2-one
Smiles: O=c1ccc(co1)C(=O)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O

STK554845
Synonyms: 2,2-diphenyl-N-(4-{[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)acetamide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc(c1OC)OC

STK554847
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-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK554848
Synonyms: N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK554849
Synonyms: 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554850
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1Cl)Cl

STK554851
Synonyms: 2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK554853
Synonyms: 2-[(E)-{2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK554854
Synonyms: N-(4-acetylphenyl)-2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK554855
Synonyms: 2-[(4-bromobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)C

STK554858
Synonyms: (6Z)-2-(benzylsulfanyl)-5-imino-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cccn1CCOc1ccc(cc1)C(C)C)SCc1ccccc1

STK554859
Synonyms: 6-(biphenyl-4-yl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK554862
Synonyms: (5Z)-5-(3-fluorobenzylidene)-2-[(3-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Oc1cccc(c1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK554863
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK554865
Synonyms: 3-(2-methoxyethoxy)-2-[(2-methoxyethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COCCSc1nc2ccccc2c(=O)n1OCCOC

STK554866
Synonyms: 2-(4-chlorophenyl)-N'-[(E)-(4-fluorophenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Cl

STK554867
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-cyclohexylideneacetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)NN=C1CCCCC1

STK554868
Synonyms: (6E)-5-imino-6-{[1-(4-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: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK554869
Synonyms: 4-[1-(3,4-dimethylbenzyl)-1H-benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
Smiles: COc1ccccc1N1CC(CC1=O)c1nc2c(n1Cc1ccc(c(c1)C)C)cccc2

STK554870
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)Br

STK554871
Synonyms: 6-(3-bromophenyl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK554872
Synonyms: N-{[2-(benzyloxy)phenyl](cyano)methyl}-3-chloro-N-(2-methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1OC)C(c1ccccc1OCc1ccccc1)C#N

STK554873
Synonyms: 4-(diphenylphosphoryl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C1NN=C(CC1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1

STK554876
Synonyms: 3-(2-chlorophenyl)-6-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1sc2n(n1)c(nn2)c1ccccc1Cl

STK554877
Synonyms: 4-(3-chlorophenyl)-7,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCC(=O)c1ccccc1

STK554878
Synonyms: ethyl3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cc(cc2)OC

STK554879
Synonyms: ethyl(1'R,2'R)-2'-(4-methoxyphenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)OC)C(=O)c1c(C2=O)cccc1

STK554880
Synonyms: 2-(4-methoxyphenyl)-3-[4-(4-methylphenoxy)butyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1)C

STK554881
Synonyms: 9-chloro-2-(5-methylfuran-2-yl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C

STK554882
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554883
Synonyms: N-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK554884
Synonyms: 6-(biphenyl-4-yl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK554885
Synonyms: ethyl1-{3-[(2-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554886
Synonyms: 9-chloro-2-(5-methylfuran-2-yl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C)c1ccc(o1)C

STK554887
Synonyms: (6Z)-6-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}benzylidene)-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccccc1OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C

STK554888
Synonyms: N-(3-chlorophenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK554890
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-bromophenyl)-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)c1ccc(cc1)Br

STK554893
Synonyms: 3-(3-ethoxyphenyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1OC

STK554895
Synonyms: 3-(4-methylphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK554896
Synonyms: ethyl(2E)-[2-(4-nitrophenyl)hydrazinylidene][(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1

STK554897
Synonyms: N~4~-(2,5-dimethoxyphenyl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(N)c(c(n1)Nc1cc(OC)ccc1OC)[N+](=O)[O-]

STK554899
Synonyms: N-(3-chlorophenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK554901
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3,4,5-trimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(cc(c1OC)OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554902
Synonyms: methyl2-(5-{(Z)-[3-(benzylsulfanyl)-5-imino-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: COC(=O)c1ccccc1c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2

STK554903
Synonyms: 3-[(2-chlorobenzyl)oxy]-2-[(2-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1ccccc1COn1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2

STK554904
Synonyms: ethyl(2Z)-3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C\c1[nH]c2c(c1Cl)cccc2)/C#N

STK554905
Synonyms: N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK554907
Synonyms: 2-(4-methoxybenzyl)-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: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK554908
Synonyms: 9-bromo-5-(3-chlorophenyl)-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Cl)c1ccc(o1)C

STK554911
Synonyms: 2-{[3-(4-chlorophenyl)-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-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK554912
Synonyms: (6Z)-6-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554914
Synonyms: (2''R,3''R)-3''-acetyl-2''-(4-nitrophenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC1(OC2=O)CCCCC1)cccc3

STK554915
Synonyms: 3-ethyl-7-methyl-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCN(Cc1s2)C

STK554917
Synonyms: N,N-diethyl-4-[3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccco1)CC

STK554918
Synonyms: (6E)-2-(3,4-dimethoxybenzyl)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3)C)/C2=N)s1

STK554919
Synonyms: (2Z)-N-(2-chlorophenyl)-2-cyano-2-[5-(2,5-dichlorobenzyl)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1cc(Cl)ccc1Cl)/C(=O)Nc1ccccc1Cl

STK554920
Synonyms: 2-methyl-7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCCC1

STK554922
Synonyms: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)OC(=O)c1ccccc1

STK554923
Synonyms: (6Z)-6-{[5-(3-chloro-4-methylphenyl)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: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1

STK554924
Synonyms: N~4~-(4-chlorophenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)Cl)[N+](=O)[O-]

STK554925
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK554928
Synonyms: N-(4-acetylphenyl)-2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK554929
Synonyms: N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CSc1nncn1C

STK554930
Synonyms: 12-benzyl-9-(benzylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C(C)(C)Cc1c2cccc1)Cc1ccccc1

STK554931
Synonyms: 6-(biphenyl-4-yl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK554932
Synonyms: 2-(4-methoxyphenyl)-3-[6-(2-methylphenoxy)hexyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccccc1C

STK554935
Synonyms: 1-(2-methoxyethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK554937
Synonyms: (6E)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-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/c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1

STK554938
Synonyms: methyl6-methoxy-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)ccc(c2)OC

STK554939
Synonyms: 11-(ethylsulfanyl)-1-(propylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK554940
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554942
Synonyms: 4-hydrazinyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-amine
Smiles: NNc1nc(N)nc2c1c1CCCCc1s2

STK554943
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)Br)\C

STK554944
Synonyms: 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
Smiles: Cc1ccc(c(c1)C(c1ccccc1)CC(=O)N1CCCCC1)O

STK554945
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-(1-phenylpropan-2-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)NC(Cc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK554946
Synonyms: 5-ethyl-2-[(3-hydroxypropyl)amino]-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: OCCCNc1nc2c3ccccc3CC(c2c(=O)n1C)(C)CC

STK554947
Synonyms: N-(4-acetylphenyl)-2-[(5-amino-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]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK554948
Synonyms: 3-(prop-2-en-1-yloxy)-2-(prop-2-en-1-ylsulfanyl)quinazolin-4(3H)-one
Smiles: C=CCSc1nc2ccccc2c(=O)n1OCC=C

STK554949
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK554950
Synonyms: 2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(2-phenylethyl)acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C)NCCc1ccccc1

STK554951
Synonyms: 4-{(2E)-2-[4-(2-amino-2-oxoethoxy)-3-methoxybenzylidene]hydrazinyl}-N-(4-bromophenyl)-4-oxobutanamide
Smiles: COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(cc2)Br)ccc1OCC(=O)N

STK554952
Synonyms: 2-[4-(2-methylpropoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK554953
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK554954
Synonyms: 12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCCC2

STK554955
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C

STK554956
Synonyms: 5-(4-fluorophenyl)-3-(2-methylpropyl)-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)CC(C)C

STK554959
Synonyms: 1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)c1ccccn1

STK554960
Synonyms: 4-{1,1,1,3,3,3-hexafluoro-2-[(2-phenylethyl)amino]propan-2-yl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCCc1ccccc1)c1ccccc1

STK554961
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-8-[(4-nitrobenzyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK554962
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1Cl)Cl

STK554963
Synonyms: 2-[4-(tert-butylamino)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NC(C)(C)C)c2c(n1)cccc2

STK554964
Synonyms: (6E)-6-{[1-(3-chloro-4-methylphenyl)-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: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)C)C)/C2=N)s1

STK554967
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(c1)Oc1ccccc1

STK554968
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554970
Synonyms: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(2-ethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK554971
Synonyms: (4aR,4bS,7aR,8S)-6-(2,4-dichlorophenyl)-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(cc1Cl)Cl

STK554972
Synonyms: 5-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK554975
Synonyms: ethyl5,6-dimethoxy-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(c(c2)OC)OC

STK554977
Synonyms: 3-benzyl-2-[(2-chlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK554980
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(3-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(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554981
Synonyms: 1-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]propan-2-ol
Smiles: CC(CNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)O

STK554982
Synonyms: 2-phenyl-5-(4-propoxyphenyl)-3-(pyridin-3-yl)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)c1cccnc1

STK554983
Synonyms: 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: Cc1cc(n(n1)c1nc(nc2c1c1CC(C)(C)OCc1s2)n1nc(cc1C)C)C

STK554984
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(4-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(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554985
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]acetohydrazide
Smiles: Cc1cc(SCC(=O)NN)c2c(n1)ccc(c2)Br

STK554986
Synonyms: N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2ccc(n2)C)ccc1OCc1ccc(c(c1)Cl)Cl

STK554988
Synonyms: 2-[(2-hydroxy-2-phenylethyl)amino]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK554989
Synonyms: (2E)-N-[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-phenyl-1H-1,2,4-triazol-3-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nc(n(n1)c1ccccc1)N1C(=O)c2c(C1=O)cccc2)/C=C/c1cccc(c1)[N+](=O)[O-]

STK554990
Synonyms: 2,8,8-trimethyl-4-(nonylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCCCCCSc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK554991
Synonyms: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK554992
Synonyms: 2-(diethylamino)ethyl(2E)-3-(3,4-dimethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: CCN(CCOC(=O)/C(=C\c1ccc(c(c1)OC)OC)/NC(=O)c1ccccc1)CC

STK554993
Synonyms: 6-(4-bromophenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)Br

STK554994
Synonyms: 3-(2-chlorophenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1Cl

STK554995
Synonyms: (2'S,3'R,4R)-3'-(2,2-dimethylpropanoyl)-2,2'-diphenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)cccc3

STK554997
Synonyms: 3-(4-tert-butylphenyl)-6-(2,6-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)OC

STK554998
Synonyms: 6-(4-benzylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK554999
Synonyms: 3-[(Z)-(3-butyl-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: CCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O

STK555001
Synonyms: N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)CSc2nncn2C)cc(cc1Cl)Cl

STK555002
Synonyms: N-(4-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555004
Synonyms: (6E)-6-{[1-(4-chlorobenzyl)-1H-indol-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: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555005
Synonyms: 3-[(2,6-dichlorobenzyl)oxy]-2-[(2,6-dichlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1cccc(c1COn1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)cccc2)Cl

STK555006
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555007
Synonyms: 4-[3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccn1

STK555008
Synonyms: 2-(benzylsulfanyl)-4-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK555009
Synonyms: 3-chloro-N-[cyano(4-methoxyphenyl)methyl]-N-(2-methylphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1C)C(c1ccc(cc1)OC)C#N

STK555014
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-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: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)[N+](=O)[O-]

STK555015
Synonyms: 9-(2,4-dimethoxyphenyl)-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(9H)-one
Smiles: COc1cc(OC)ccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK555016
Synonyms: 6-iodo-3-(naphthalen-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1cccc2c1cccc2

STK555017
Synonyms: 3-(3-chlorophenyl)-2-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CC(Sc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl)C

STK555018
Synonyms: 2-(4-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555019
Synonyms: 2-(2-{[4-amino-5-nitro-6-(piperidin-1-yl)pyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK555020
Synonyms: 8,8-dimethyl-3-(3-methylbutyl)-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CC(CCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C)C

STK555021
Synonyms: 4-[(2,6-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK555022
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[(5Z)-3-(2-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)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK555023
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(n1)C

STK555024
Synonyms: 4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)cnn3

STK555025
Synonyms: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nncn2c2c(c1=O)c1CCCCc1s2

STK555026
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C(/c1ccncc1)\C

STK555027
Synonyms: 2-{[3-(4-methylphenyl)-4-oxo-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)n1c1ccc(cc1)C)CCCCC3

STK555028
Synonyms: 5-(benzylsulfanyl)-3-[(4-bromobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK555029
Synonyms: (6Z)-6-{3-bromo-4-[(2-methylbenzyl)oxy]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(c(c1)Br)OCc1ccccc1C)c1cccnc1

STK555031
Synonyms: 3-(3-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CCCC1

STK555032
Synonyms: 3-(2-phenylethyl)-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccccc1

STK555033
Synonyms: (5Z)-5-{[5-(4-methylphenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK555034
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,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK555035
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1)C

STK555037
Synonyms: methyl3-{[3-(4-benzylpiperazin-1-yl)propanoyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)ccc(c2)OC

STK555038
Synonyms: 3-(3-chlorophenyl)-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK555041
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK555043
Synonyms: (6E)-6-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK555044
Synonyms: [6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hex-1-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C(Br)Br)N1CCc2c(C1)cccc2

STK555045
Synonyms: (6Z)-6-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-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: COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555046
Synonyms: 3-(3-ethoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccccc1

STK555047
Synonyms: (3aR,6aS)-3-(3-nitrophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK555050
Synonyms: (8S,8aR,11aS,11bS)-10-(4-methylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK555051
Synonyms: 2-(4-methylpiperazin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK555052
Synonyms: 7-methoxy-3-({(E)-[3-(octyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCCCCOc1cccc(c1)/C=N/n1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK555055
Synonyms: methyl5-bromo-3-{[hydroxy(diphenyl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(cc2)Br

STK555058
Synonyms: (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1

STK555059
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl)C

STK555061
Synonyms: N-(3-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555062
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK555063
Synonyms: 2-{[(E)-(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2c[nH]nc2c2ccccc2)sc2c1CCCCC2

STK555064
Synonyms: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
Smiles: O=C1NC(C(=O)N1CCc1ccccc1)(NC(=O)C(C)(C)C)C(F)(F)F

STK555065
Synonyms: N~2~-benzyl-N~4~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCc1ccccc1

STK555066
Synonyms: 2-(3-ethoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK555068
Synonyms: 12-(4-chlorobenzyl)-9-[(4-chlorobenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)c2ccccc2CC21CCCCC2

STK555070
Synonyms: 3-methoxy-10-methyl-5-[(4-methylphenyl)sulfonyl]-5,10-dihydroindolo[3,2-b]indole
Smiles: COc1ccc2c(c1)c1c(n2C)c2c(n1S(=O)(=O)c1ccc(cc1)C)cccc2

STK555071
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: Clc1ccccc1CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

STK555072
Synonyms: (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-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\c1cc(n(c1C)c1ccccc1)C)c1cccnc1

STK555073
Synonyms: 3-[4-(2-tert-butyl-6-methylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(C)cccc1C(C)(C)C

STK555074
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)N(C)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK555075
Synonyms: 5-(naphthalen-2-yl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1

STK555076
Synonyms: 3-methyl-7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK555077
Synonyms: N-(2,4-dimethoxyphenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK555078
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK555081
Synonyms: ethyl{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555082
Synonyms: 2,3-dimethoxy-6-[5-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK555083
Synonyms: (6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-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: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555084
Synonyms: 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK555085
Synonyms: N~2~-(2,5-dimethoxyphenyl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1cc(OC)ccc1OC

STK555086
Synonyms: (6Z)-6-[4-(benzyloxy)-3-methoxybenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555087
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/1\C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK555088
Synonyms: 2-{[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCC(Nc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2)C

STK555089
Synonyms: (4aR,4bS,7aR,8S)-6-(4-fluorophenyl)-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)F

STK555090
Synonyms: 3-(3-ethoxyphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)OC

STK555091
Synonyms: 3-(furan-2-ylmethyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccco1

STK555094
Synonyms: 8-(3-chlorophenyl)-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]

STK555095
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1)CC

STK555097
Synonyms: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK555098
Synonyms: 5-(2-ethylhexyl)-1-phenyl-1,3,5-triazinane-2-thione
Smiles: CCCCC(CN1CNC(=S)N(C1)c1ccccc1)CC

STK555099
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: COc1cc(ccc1O)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK555100
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccnc1

STK555101
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555102
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK555103
Synonyms: 3-(3-chlorophenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK555104
Synonyms: 3-(3-ethoxyphenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccco1

STK555105
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555106
Synonyms: 2-amino-N-butyl-1-dodecyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCCCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCC

STK555110
Synonyms: ethyl4-({[6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hex-1-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br

STK555111
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCCC1

STK555116
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK555117
Synonyms: N,N-dimethyl-4-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK555118
Synonyms: 9-bromo-2-(5-methylfuran-2-yl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C

STK555120
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-4-nitrophenyl)-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(cc1C)[N+](=O)[O-]

STK555121
Synonyms: N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK555123
Synonyms: 3-ethyl-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2

STK555126
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(2-methyl-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

STK555127
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK555128
Synonyms: 6-(4-bromophenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)Br

STK555129
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK555130
Synonyms: (3aR,6aS)-5-(2-methyl-4-nitrophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK555131
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK555132
Synonyms: 3-(2,4-dimethylphenyl)-2-{(E)-2-[4-(propan-2-yl)phenyl]ethenyl}quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)C(C)C)nc2c(c1=O)cccc2

STK555133
Synonyms: 2-(benzylsulfanyl)-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK555135
Synonyms: 6-fluoro-2-methylquinoline-3-carboxylicacid
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)O

STK555136
Synonyms: 3-{(Z)-[3-(butan-2-yl)-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: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O)C

STK555138
Synonyms: 4-{5-(4-chlorophenyl)-2-oxo-3-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)C1C=C(C(=O)N1c1ccc(cc1)S(=O)(=O)N)Nc1ccc(cc1)S(=O)(=O)N

STK555139
Synonyms: N-(4-ethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK555140
Synonyms: 5-(3-methoxyphenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK555141
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)Br

STK555142
Synonyms: 2-(pyridin-3-yl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)c1cccnc1

STK555143
Synonyms: 3-(3-chlorophenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)cc1c(n2)CCCC1

STK555144
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-2-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK555145
Synonyms: 9-bromo-2-(5-methylfuran-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccncc1)c1ccc(o1)C

STK555146
Synonyms: (8S,8aR,11aS,11bS)-10-(2-methyl-4-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1

STK555147
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555148
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-[4-(3-phenoxypropoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCCOc3ccccc3)/C2=N)s1

STK555149
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK555151
Synonyms: methyl4-[7,9-dichloro-2-(furan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccco1)Cl

STK555152
Synonyms: 2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-N-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COc1ccc(cc1)CCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCN1CCOCC1

STK555153
Synonyms: (5E)-2-(4-benzylpiperazin-1-yl)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

STK555155
Synonyms: N~2~-(3-chlorophenyl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N

STK555157
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-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-(1,3-thiazol-2-yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1nccs1)SC

STK555158
Synonyms: 2-[(E)-{2-[4-(2-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1C

STK555159
Synonyms: (6Z)-5-imino-6-{4-[(3-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555160
Synonyms: 3-ethyl-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK555161
Synonyms: 1-(morpholin-4-yl)-3-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

STK555162
Synonyms: 3-amino-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)N

STK555163
Synonyms: 6-ethyl-6-methyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c([nH]2)nnc1S

STK555164
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,N-diphenylacetamide
Smiles: CCCSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK555165
Synonyms: 8,10-dibromo-2,3-dihydro-5H,6H-chromeno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-5,6-dione
Smiles: Brc1cc(Br)c2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCS2

STK555166
Synonyms: N-(2-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555167
Synonyms: 4-(2-bromo-4-methylphenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccccn1

STK555168
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cccc2