FULL DB

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

STK581873
Synonyms: 5-(4-fluorophenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK581875
Synonyms: 3-[4-(4-chlorophenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1)Cl

STK581876
Synonyms: 2-{4-[4-(benzyloxy)phenoxy]quinazolin-2-yl}-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)OCc2ccccc2)c2c(n1)cccc2

STK581877
Synonyms: 7-(2,5-dimethylbenzyl)-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1cc(C)ccc1C)c(=O)n(c(=O)n2C)C

STK581878
Synonyms: 4-{[(E)-(4-hydroxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)O

STK581879
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-bromo-4-methylphenyl)-5-chloro-7-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Cc1ccc(c(c1)Br)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C

STK581881
Synonyms: 5-(2-methylpropyl)-N-[2-(morpholin-4-yl)ethyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-amine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCN1CCOCC1)C

STK581882
Synonyms: 1'-butyl-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CCCCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])O

STK581883
Synonyms: 9-hydroxy-7,7-dimethyl-10-(3-methylphenyl)-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: Cc1cccc(c1)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C

STK581885
Synonyms: (4E)-2-(2,4-dimethoxyphenyl)-4-{[(2,5-dimethoxyphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)OC)N1C(=O)/C(=C/Nc2cc(OC)ccc2OC)/c2c(C1=O)cccc2

STK581886
Synonyms: (3a'S,6a'R)-5'-(2-chlorobenzyl)-3'-(3,4-dihydroxybenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: O=C1N(Cc2ccccc2Cl)C(=O)[C@@H]2[C@H]1C(Cc1ccc(c(c1)O)O)NC12C(=O)Nc2c1cccc2

STK581889
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(3-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)F

STK581892
Synonyms: 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccc(cc1)c1ccccc1)c1cccnc1

STK581893
Synonyms: ethylN-({[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)OC

STK581894
Synonyms: 8-(morpholin-4-yl)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCOCC1

STK581895
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NN2CCCCCC2)/C1=O)O

STK581896
Synonyms: 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK581899
Synonyms: 4-[(2E)-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinyl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)Cn1cc(c2c1cccc2)/C=N/Nc1ccc(cc1)C(=O)O

STK581901
Synonyms: N-[5-hydroxy-2-(2-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1cc(O)nc2n1nc(n2)c1ccccc1C

STK581902
Synonyms: 4-methyl-3-(3-methylphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)c1nnc(n1C)SC/C=C/c1ccccc1

STK581903
Synonyms: 1-amino-4-[(3-methoxyphenyl)amino]-2-(morpholin-4-yl)anthracene-9,10-dione
Smiles: COc1cccc(c1)Nc1cc(N2CCOCC2)c(c2c1C(=O)c1ccccc1C2=O)N

STK581905
Synonyms: 1-(4-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK581906
Synonyms: N-[(2Z)-3-(2,5-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1cc(C)ccc1C)CS(=O)(=O)C2

STK581907
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK581910
Synonyms: 2-[4-(diphenylmethyl)piperazin-1-yl]-6-phenylpyrimidin-4-ol
Smiles: Oc1nc(nc(c1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK581912
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2Cl)C)nnc1c1cccc(c1)C

STK581913
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-butyl-5-chloro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cc(Cl)cc2

STK581914
Synonyms: 1-(3-methoxyphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COc1cccc(c1)n1c(N)c(c2c1nc1ccccc1n2)c1nc2c(n1C)cccc2

STK581915
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STK581916
Synonyms: 6-[(3E)-3-[hydroxy(4-nitrophenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]hexanoicacid
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C(=O)N1CCCCCC(=O)O

STK581918
Synonyms: (6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)[4-(trifluoromethyl)phenyl]methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccc(cc1)C(F)(F)F

STK581919
Synonyms: 4-[(2E)-2-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N

STK581920
Synonyms: 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide
Smiles: Brc1ccc(o1)C(=O)NCCc1cnc[nH]1

STK581921
Synonyms: (1S,2S)-N'-{(E)-[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-]

STK581923
Synonyms: (4Z)-6-(1-benzofuran-2-yl)-4-[(4-chlorophenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)c1cc2c(o1)cccc2

STK581925
Synonyms: 2-(dimethylamino)-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N(C)C)/C(=O)N1CCCc1ccccc1

STK581927
Synonyms: 6'-hydroxy-2,4-dimethyl-3'-phenyl-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccccc1CC12C(=NC(=O)N(C1=O)c1ccccc1)O

STK581928
Synonyms: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1CC(=O)C)c(=O)n(c(=O)n2C)C

STK581929
Synonyms: 2-methoxy-6-[4-(2,3,5-trimethylphenoxy)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1O)c1nc(Oc2cc(C)cc(c2C)C)c2c(n1)cccc2

STK581930
Synonyms: 2-{5-[(2-methylbenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccccc1CSc1nnc(n1c1ccccc1)c1cnccn1

STK581931
Synonyms: N-[3-(1H-tetrazol-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)Nc1cccc(c1)n1cnnn1

STK581933
Synonyms: N-(3-ethoxypropyl)-5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCOCCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2

STK581937
Synonyms: (2Z)-2-(2-bromobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccccc1Br)/C2=O

STK581942
Synonyms: N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-alanine
Smiles: OC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK581943
Synonyms: N-{5-methyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
Smiles: CC(=O)NC1C(=O)N(c2c1cc(C)cc2)CCN1CCOCC1

STK581944
Synonyms: 4-(3-bromophenyl)-2-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
Smiles: Fc1ccc(cc1)C1Nc2nc3c(n2C(C1)c1cccc(c1)Br)cccc3

STK581945
Synonyms: [4-amino-3-(2,4-dimethylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl](morpholin-4-yl)methanone
Smiles: Cc1ccc(c(c1)C)n1c(=S)sc(c1N)C(=O)N1CCOCC1

STK581947
Synonyms: (3S)-N-{(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)[C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK581948
Synonyms: 3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O

STK581949
Synonyms: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCCc1ccccc1)CN1CCC(CC1)Cc1ccccc1

STK581951
Synonyms: 5-ethoxy-N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(c(c1)O)OC

STK581952
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-8-methyl-5H-pyrimido[5,4-b]indole
Smiles: COc1c(/C=N/Nc2ncnc3c2[nH]c2c3cc(cc2)C)cccc1OC

STK581953
Synonyms: 4-{[(E)-(2-ethoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccccc1/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

STK581955
Synonyms: methylN-[(4-sulfamoylphenyl)carbamoyl]-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)S(=O)(=O)N)CC(C)C

STK581957
Synonyms: 3-(2-methoxyphenoxy)-8-[(4-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+]1CCC(CC1)C)[O-]

STK581958
Synonyms: (3R,3'S,5'S)-N-(4-methoxyphenyl)-5-methyl-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(C)cc1)CC(C)C

STK581959
Synonyms: N-[1-(4-fluorophenyl)-2-hydroxy-4,6-dioxo-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
Smiles: O=C(NC1(C(=O)Nc2c1c(=O)nc(n2c1ccc(cc1)F)O)C(F)(F)F)CN1CCCC1=O

STK581961
Synonyms: ([(2-methylbenzyl)sulfanyl]{[3-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile
Smiles: N#CC(=C(Nc1cccc(c1)C(F)(F)F)SCc1ccccc1C)C#N

STK581962
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK581963
Synonyms: (5E)-5-{4-[(4-fluorobenzyl)oxy]benzylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: OC1=NC(=O)S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)F

STK581964
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]-beta-alaninate
Smiles: O=C(Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)CCNC(=O)OCc1ccccc1

STK581965
Synonyms: 2,2-dimethyl-N-[3-(morpholin-4-yl)propyl]-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN1CCOCC1)C

STK581966
Synonyms: N-(2-chlorophenyl)-1-(4-fluorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1ccccc1Cl)c1ccc(cc1)F

STK581967
Synonyms: N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: COc1cc(OC)c(cc1NC(=O)CCn1nnc2c(c1=O)cccc2)Cl

STK581968
Synonyms: 8-benzyl-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2cc(n1Cc1ccccc1)C

STK581970
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)OC)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK581972
Synonyms: 3-(3,4-difluorophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: Fc1ccc(cc1F)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCCC3

STK581973
Synonyms: (2Z)-1-(biphenyl-4-yl)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Smiles: O=C(c1ccc(cc1)c1ccccc1)/C=C/1\NCCc2c1cc1OCOc1c2

STK581974
Synonyms: 6-{[butyl(ethyl)ammonio]methyl}-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1oc(=O)c1c2CCC1)CC

STK581976
Synonyms: 6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-sulfanyl-3,7-dihydro-2H-purin-2-one
Smiles: COc1ccc(cc1)CCn1c(S)nc2c1c(O)nc(=O)n2C

STK581977
Synonyms: (3a'S,6a'R)-5-chloro-5'-cyclohexyl-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCC1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK581980
Synonyms: N-(3-fluorophenyl)-4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexanecarboxamide
Smiles: Fc1cccc(c1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK581981
Synonyms: 3-(furan-2-ylmethyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: O=c1c2c3CCCCCc3sc2n(c(=O)n1Cc1ccco1)CCN1CCCC1

STK581982
Synonyms: 7-(furan-2-ylmethyl)-5,6-dimethyl-N-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Smiles: Cc1c(C)n(c2c1c(NCCCN1CCOCC1)ncn2)Cc1ccco1

STK581984
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCNc1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C

STK581985
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c(OC)ccc2c1cccc2

STK581986
Synonyms: 4-methoxy-N-[3-(morpholin-4-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NCCCN1CCOCC1

STK581987
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)COc1ccc2c(c1)oc(=O)cc2

STK581989
Synonyms: 4,8-dimethyl-2-oxo-2H-chromen-7-yl1-[(4-fluorophenyl)sulfonyl]-L-prolinate
Smiles: O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)F)Oc1ccc2c(c1C)oc(=O)cc2C

STK581991
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)CSc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F

STK581993
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenylpyrrolidine-2,3-dione
Smiles: CSc1nnc(s1)N1C(c2ccccc2)/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C1=O

STK581995
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,4-dichlorophenyl)carbonyl]-3'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK581997
Synonyms: (3S)-N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC(C[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK581998
Synonyms: 5-(4-butoxyphenyl)-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
Smiles: CCCCOc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

STK581999
Synonyms: 4-chloro-N-[1-(3-chlorophenyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: Clc1ccc(cc1)C(=O)NC1(N=C(N(C1=O)c1cccc(c1)Cl)O)C(F)(F)F

STK582000
Synonyms: N-(2,5-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1Cl)CSc1nnc(n1c1ccccc1)c1ccccn1

STK582001
Synonyms: 9-[4-(benzyloxy)phenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: OC1=C2C(=Nc3n(C2c2ccc(cc2)OCc2ccccc2)ncn3)CC(C1)(C)C

STK582002
Synonyms: N-(2,1,3-benzoxadiazol-4-yl)-3-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
Smiles: O=C(Nc1cccc2c1non2)CCN1C(=S)S/C(=C\c2ccccc2)/C1=O

STK582003
Synonyms: 6'-chloro-1,3-dipropyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCN1C(=O)N(CCC)C(=O)C2(C1=O)Cc1c(Cl)cccc1N1C2CCC1

STK582004
Synonyms: 5-(2-methylpropyl)-8-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: CC(Cc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCCC1)C

STK582005
Synonyms: 1-(4-chlorophenyl)-1'-methyl-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCC1N(C)c2ccc(cc2CC21C(=O)NC(=O)N(C2=O)c1ccc(cc1)Cl)[N+](=O)[O-]

STK582006
Synonyms: N,N-dimethyl-N'-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)propane-1,3-diamine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCCN(C)C

STK582007
Synonyms: 2-{5-[(3-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Fc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cnccn1

STK582008
Synonyms: (2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\C=C\c1ccccc1OC)/C2=O

STK582009
Synonyms: (2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)OC)/C2=O)C

STK582010
Synonyms: 3-(3-chlorophenyl)-2-hydrazinyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: NNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK582013
Synonyms: 3-cyclopentyl-N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: COc1cccc(c1)N1/C(=N/C(=O)CCC2CCCC2)/SC2C1CS(=O)(=O)C2

STK582014
Synonyms: 7-(3-chlorobenzyl)-1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1cccc(c1)Cn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STK582016
Synonyms: 1-(4-hydroxy-6-methylpyrimidin-2-yl)-3-(2-methoxyphenyl)guanidine
Smiles: COc1ccccc1NC(=N)Nc1nc(C)cc(n1)O

STK582018
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(OC)c(cc1OC)OC

STK582019
Synonyms: 2-[(E)-{[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]iminio}methyl]-6-methoxyphenolate
Smiles: CCOC(=O)c1c(/[NH+]=C/c2cccc(c2[O-])OC)sc2c1CCC2

STK582020
Synonyms: propan-2-yl{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)OC(C)C)nnc1c1ccccn1

STK582021
Synonyms: 3,5-dinitro-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCCc1n[nH]/c(=N\C(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])/s1

STK582023
Synonyms: 1-(3-chlorophenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582025
Synonyms: (5E)-5-[(2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C/c2cc([nH]c2C)C)/C(=N1)O

STK582026
Synonyms: 9-(3-ethoxy-4-hydroxyphenyl)-6-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCOc1cc(ccc1O)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)C

STK582027
Synonyms: 2-{(1E)-1-[2-(3-chlorophenyl)hydrazinylidene]ethyl}-4-(furan-2-yl)-2,5,5-trimethyl-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: Clc1cccc(c1)N/N=C(/C1(C)[N+](=C(C(N1O)(C)C)c1ccco1)[O-])\C

STK582029
Synonyms: 3-(2-methoxyphenyl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: COc1ccccc1c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]

STK582030
Synonyms: methyl4-{[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: COC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1cccs1

STK582031
Synonyms: 2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-phenylacetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)Nc1ccccc1

STK582032
Synonyms: ethyl4-[(6-methoxy-1H-indol-2-yl)carbonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)cc(cc2)OC

STK582033
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK582034
Synonyms: N-(3-hydroxypropyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK582035
Synonyms: 7,7-dimethyl-2-(4-methylphenyl)-4-[(2-phenoxyethyl)sulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: Cc1ccc(cc1)c1nc(SCCOc2ccccc2)c2c(n1)CC(OC2)(C)C

STK582039
Synonyms: 2-(2-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: COc1ccc(cc1)CCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1Cl

STK582040
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)F

STK582041
Synonyms: 5-ethoxy-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(c(c1OC)OC)OC

STK582042
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1COc1ccccc1

STK582043
Synonyms: 6-(furan-2-ylmethyl)-1-(4-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Cc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccco1

STK582044
Synonyms: (1'S,3R,3'S,7a'S)-1'-[(2-ethoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1

STK582045
Synonyms: (8S,8aR,11aS)-10-(4-methoxybenzyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1ccccc1

STK582046
Synonyms: 3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC(C)C

STK582048
Synonyms: 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1cccc(c1/C=N/n1c(=S)[nH]nc1C1CCCCC1)Cl

STK582049
Synonyms: 2-[(3a'S,6a'R)-5'-(2-chlorobenzyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(F)cc1

STK582050
Synonyms: 7-(2-chloro-6-fluorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)Cc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C

STK582052
Synonyms: 4-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC)OC

STK582053
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582054
Synonyms: N-[6-chloro-3-(4-methylphenyl)-4-oxo-4H-chromen-2-yl]thiophene-2-carboxamide
Smiles: Cc1ccc(cc1)c1c(NC(=O)c2cccs2)oc2c(c1=O)cc(cc2)Cl

STK582055
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1C)c1cccc(c1)Cl

STK582057
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(quinolin-3-yl)propanamide
Smiles: O=C(Nc1cnc2c(c1)cccc2)CCn1c(C)nc2c1cccc2

STK582059
Synonyms: 1-(3-fluorophenyl)-2-(2-hydroxyethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: OCCN1C(=O)c2c(C1c1cccc(c1)F)c(=O)c1c(o2)cccc1

STK582060
Synonyms: (2S)-N-(3-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: Fc1cccc(c1)NC(=O)[C@@H](n1nnc2c(c1=O)cccc2)C

STK582063
Synonyms: methyl[8-(2-methoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl]acetate
Smiles: COC(=O)Cn1c(=O)c2n3CCN(c3nc2n(c1=O)C)c1ccccc1OC

STK582064
Synonyms: 6-hydroxy-3-methyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-7-nonyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(O)nc(=O)n2C

STK582065
Synonyms: 4-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)Cc1cccnc1

STK582066
Synonyms: ethyl4-[({[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK582070
Synonyms: N-(3-chloro-4-fluorophenyl)-2-({5-[(4-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccccc1)COc1ccc(cc1)C

STK582072
Synonyms: {[(3,4-dichlorobenzyl)sulfanyl][(4-fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1ccc(c(c1)Cl)Cl)C#N

STK582073
Synonyms: methylN-[(1E)-1-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)/CC

STK582074
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl

STK582078
Synonyms: (5E)-3-(4-chlorophenyl)-5-{1-[(3,3-diphenylpropyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/NCCC(c1ccccc1)c1ccccc1

STK582080
Synonyms: ethyl4-{(Z)-[2-(4-iodophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenylcarbonate
Smiles: CCOC(=O)Oc1ccc(cc1OC)/C=C/1\N=C(OC1=O)c1ccc(cc1)I

STK582081
Synonyms: 2-{5-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: Cc1ccc(cc1)n1c(nnc1c1cnccn1)SCc1c(Cl)cccc1Cl

STK582082
Synonyms: 8-(3-chlorophenyl)-11-(4-methoxyphenyl)-10-methyl-2-(pyridin-2-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccn1)c1cccc(c1)Cl

STK582084
Synonyms: 8-(3-chlorophenyl)-1-methyl-3-(3-phenylpropyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCCc1ccccc1

STK582085
Synonyms: 2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-1-(10H-phenothiazin-10-yl)ethanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)N1c2ccccc2Sc2c1cccc2

STK582086
Synonyms: (2'S,3S,3'S,10b'R)-3'-(thiophen-2-ylcarbonyl)-2'-[(3,4,5-trimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1c(OC)cc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK582087
Synonyms: 7-(2,6-dichlorobenzyl)-6-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Clc1cccc(c1Cn1c(CN2CCOCC2)nc2c1c(O)nc(=O)n2C)Cl

STK582089
Synonyms: 4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK582090
Synonyms: 7'-{(E)-[4-hydroxy-1-(2-methoxyethyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trion
Smiles: COCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK582092
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK582093
Synonyms: 2-(2,4-dinitrophenoxy)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Smiles: COc1cc2CCn3c(c2cc1OC)cc(nc3=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK582095
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccccc1C

STK582096
Synonyms: 4-nitro-2-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}phenol
Smiles: Oc1ccc(cc1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)[N+](=O)[O-]

STK582097
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK582098
Synonyms: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl4-(2,4-dichlorophenoxy)butanoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)CCCOc1ccc(cc1Cl)Cl)/C(=O)OC

STK582099
Synonyms: N-[(2Z)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2)COc1ccccc1

STK582100
Synonyms: 4-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccc(cc1)O

STK582101
Synonyms: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine
Smiles: Cc1cc(N2CCN(CC2)C2CCCCC2)n2c(n1)c(cn2)c1ccc(cc1)Cl

STK582102
Synonyms: (2S)-N-(3-acetylphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)Nc1cccc(c1)C(=O)C)C

STK582103
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1OC

STK582104
Synonyms: ethyl2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1)NC1OC(=O)c2c1ccc(c2OC)OC

STK582105
Synonyms: 4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1

STK582107
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1OC

STK582109
Synonyms: 5-[3-(benzyloxy)phenyl]-N'-[(E)-naphthalen-1-ylmethylidene]-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)N/N=C/c1cccc2c1cccc2

STK582111
Synonyms: 4-chloro-N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Cl)/C(=O)NCCC(C)C

STK582113
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1COc1ccc(cc1)Cl

STK582115
Synonyms: 2-chloro-N'-{(1E)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}benzohydrazide
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NNC(=O)c2ccccc2Cl)/C)/C1=O)O

STK582116
Synonyms: N-[(2E)-5-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=c/1\[nH]nc(s1)SCC(=O)c1ccc2c(c1)Cc1c2cccc1

STK582117
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(2-oxopropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=O)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK582118
Synonyms: N-(3-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK582119
Synonyms: 2-hydroxy-N'-{(1Z)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}benzohydrazide
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(/NNC(=O)c2ccccc2O)\C)/C1=O)O

STK582120
Synonyms: 2-ethoxy-4-{(E)-[2-(7-ethyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-9-ium-8-yl)hydrazinylidene]methyl}phenolate
Smiles: CCOc1cc(/C=N/Nc2[nH+]c3c(n2CC)c(O)nc(=O)n3C)ccc1[O-]

STK582121
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1CC)c1cccc(c1)C)NC(=O)C

STK582122
Synonyms: N-(4-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK582124
Synonyms: 4-[(4-bromobenzyl)sulfanyl]-2-(4-butoxyphenyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCCOc1ccc(cc1)c1nc(SCc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)C

STK582125
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1c(c2ccccc2)c(=O)c(nn1c1ccc(cc1)Cl)C

STK582126
Synonyms: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK582129
Synonyms: 3-(2-methyl-1H-benzimidazol-1-yl)-N-(quinolin-6-yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)cccn2)CCn1c(C)nc2c1cccc2

STK582131
Synonyms: 5-[5-(4-methoxyphenyl)-1-{[(4-methoxyphenyl)amino]acetyl}pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)NCC(=O)N1NC(=C2C(=O)N(C)C(=O)N(C2=O)C)CC1c1ccc(cc1)OC

STK582137
Synonyms: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-3-methylbutanamide
Smiles: CC(CC(=O)Nc1ccc2c(c1)nc1n2CCN(C1)C1CCCCC1)C

STK582138
Synonyms: 8-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C

STK582139
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1COc1ccc(cc1)Cl

STK582140
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK582141
Synonyms: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK582142
Synonyms: (5E)-5-{1-[(3,5-dimethoxybenzyl)amino]propylidene}-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCc1cc(OC)cc(c1)OC

STK582143
Synonyms: 3-(3-bromo-4-fluorophenyl)-5-(2-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)Br)F)c1ccccc1

STK582144
Synonyms: 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]quinazolin-4(3H)-one
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)N1CCCCCC1

STK582145
Synonyms: N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-diethylpropane-1,3-diamine
Smiles: CCN(CCCNCCC(c1ccc(cc1)C)C1CCOC(C1)(C)C)CC

STK582146
Synonyms: 5-hydroxy-4-(4-methylphenyl)-2-(methylsulfanyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc(cc1)C

STK582147
Synonyms: 2-(4-benzyl-7-chloro-2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
Smiles: O=C(Cn1c(=O)c(=O)n(c2c1cc(Cl)cc2)Cc1ccccc1)Nc1cc(C)c(cc1[N+](=O)[O-])C

STK582149
Synonyms: 8-methoxy-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinoline
Smiles: COc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C

STK582150
Synonyms: 2,6-dichloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
Smiles: Clc1nc(Cl)cc(c1)C(=O)NCCc1nnc2n1cccc2

STK582151
Synonyms: 5-{[1-(2-chlorobenzyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(c2ccccc2)C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)/C(=O)N1c1ccccc1

STK582153
Synonyms: 1-(3-chlorophenyl)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccc(c1)Cl)c1noc(c1)C

STK582154
Synonyms: 8-(4-ethylpiperazin-1-yl)-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CCN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK582155
Synonyms: (4E)-5-(3-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: Fc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1c1cccc(c1)C(F)(F)F

STK582156
Synonyms: 1-(3,4-dimethylphenyl)-2-hydroxy-6-(1-phenylethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1CN(CN2)C(c1ccccc1)C)c1ccc(c(c1)C)C

STK582157
Synonyms: (3a'S,6a'R)-5-chloro-3'-(4-hydroxybenzyl)-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(Cl)cc2

STK582159
Synonyms: N-(3,5-dimethylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1cccc(c1)OC

STK582160
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)Cl

STK582161
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(C(c2cc1OC)C)CC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl

STK582162
Synonyms: N-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C)C

STK582163
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-5-oxo-2-phenyl-2,5-dihydropyridazin-3-yl]cyclohexanecarboxamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)C1CCCCC1)c1ccccc1

STK582164
Synonyms: 3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
Smiles: COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)NC1CC(C)(C)NC(C1)(C)C

STK582165
Synonyms: 2-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccc(cc1)c1nn2c(n1)nc(cc2N1C(=O)c2c(C1=O)cccc2)O

STK582166
Synonyms: N-[(2Z)-3-(2,4-difluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: Fc1ccc(c(c1)F)N1/C(=N/C(=O)C(C)C)/SC2C1CS(=O)(=O)C2

STK582168
Synonyms: (3a'S,6a'R)-5-fluoro-5'-(4-fluorobenzyl)-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(F)cc2

STK582169
Synonyms: 2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl(5-fluoro-1H-indol-2-yl)methanone
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N1CCn2c1nc1c2cccc1

STK582170
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(5-methylfuran-2-yl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(o1)C)CCc1ccccc1)/O

STK582171
Synonyms: 1'-cyclohexyl-2'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CC1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)C1CCCCC1)O

STK582172
Synonyms: Nalpha-({1-[N-(tert-butoxycarbonyl)-L-alanyl]piperidin-4-yl}carbonyl)-N-(4-methoxybenzyl)-L-phenylalaninamide
Smiles: COc1ccc(cc1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C

STK582173
Synonyms: N-[3-(3-chlorophenyl)-4-oxo-4H-chromen-2-yl]cyclohexanecarboxamide
Smiles: Clc1cccc(c1)c1c(NC(=O)C2CCCCC2)oc2c(c1=O)cccc2

STK582174
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Smiles: O=C(/N=c\1/sc2c([nH]1)cccc2)CCCCCn1nnc2c(c1=O)cccc2

STK582178
Synonyms: (4Z)-2-(3-chlorophenyl)-4-[2-(thiophen-2-yl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: Clc1cccc(c1)C1=N/C(=C\2/C=C(Oc3c2cccc3)c2cccs2)/C(=O)O1

STK582179
Synonyms: N-(3,5-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK582183
Synonyms: N-(4-fluorophenyl)-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK582187
Synonyms: [4-(4-fluorophenyl)piperazin-1-yl](4,5,6-trimethoxy-1H-indol-2-yl)methanone
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N1CCN(CC1)c1ccc(cc1)F

STK582188
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK582189
Synonyms: N-{(2S)-3-methyl-1-oxo-1-[(3-phenylpropyl)amino]butan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
Smiles: CC([C@@H](C(=O)NCCCc1ccccc1)NC(=O)N1CCn2c1nc1c2cccc1)C

STK582191
Synonyms: N-(3,5-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1c1ccccc1F

STK582192
Synonyms: N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK582193
Synonyms: 1'-benzyl-2'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N=C(N(C1=O)Cc1ccccc1)O

STK582194
Synonyms: 4-{[(2Z)-3-(4-bromo-2-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1Cl)Br)CS(=O)(=O)C2

STK582195
Synonyms: (2Z)-N-(2-chlorophenyl)-4-hydroxy-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: COc1ccc(cc1)/C=N/N=C\1/N=C(O)CC(S1)C(=O)Nc1ccccc1Cl

STK582196
Synonyms: 6-(4-methoxyphenyl)-2-methyl-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cc(OC)c(c(c2)OC)OC)nc(n3)C)C1)O

STK582197
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-fluorophenyl)carbonyl]-3'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK582198
Synonyms: 7-(4-fluorobenzyl)-10-methoxy-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccc(cc1)F

STK582199
Synonyms: 8-cyclohexyl-1,6,7-trimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(CCN2CCCCC2)c(=O)n(c2c1n1c(n2)n(c(c1C)C)C1CCCCC1)C

STK582200
Synonyms: (3S)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: O=C([C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2)NC1CCCCC1

STK582202
Synonyms: 8-(3-chlorophenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Clc1cccc(c1)n1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK582204
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1)CC

STK582205
Synonyms: N-(4-chloro-2-methoxy-3-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1c(ccc(c1C)Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK582207
Synonyms: 2-oxo-7-phenyl-4-({[3-(trifluoromethyl)phenyl]ammonio}methyl)-2H-chromen-6-olate
Smiles: O=c1cc(C[NH2+]c2cccc(c2)C(F)(F)F)c2c(o1)cc(c(c2)[O-])c1ccccc1

STK582208
Synonyms: (4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C

STK582209
Synonyms: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl2-{[(4-methylphenyl)sulfonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1ccc2c(c1C)oc(=O)c1c2CCC1)NS(=O)(=O)c1ccc(cc1)C

STK582210
Synonyms: N-{2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methyl-1H-benzimidazol-5-yl}benzamide
Smiles: CCN1CCN(CC1)CCc1nc2c(n1C)ccc(c2)NC(=O)c1ccccc1

STK582213
Synonyms: N-(2,4-dimethylphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: COc1cc2CN(CCc2cc1OC)C(=S)Nc1ccc(cc1C)C

STK582214
Synonyms: N-(4-ethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK582215
Synonyms: (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Smiles: Brc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1noc(c1)C(C)(C)C)/O

STK582216
Synonyms: N-[4-(acetylamino)phenyl]-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)C)CCCCCn1cnc2c(c1=O)cccc2

STK582217
Synonyms: [1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]aceticacid
Smiles: Cc1ccc(cc1)NC1=C(CC(=O)O)C(N(C1=O)c1ccc(cc1)C)c1cccc(c1)[N+](=O)[O-]

STK582221
Synonyms: 4-[2-(furan-2-yl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-yl]-N,N-dimethylaniline
Smiles: Cc1nn(c2c1C(c1ccc(cc1)N(C)C)c1c(O2)ncn2c1nc(n2)c1ccco1)c1ccccc1

STK582223
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-bromopyridin-2-yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK582224
Synonyms: 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK582225
Synonyms: 1-{1-[6-(2-fluorophenoxy)-2-phenylpyrimidin-4-yl]-5-methyl-1H-pyrazol-4-yl}ethanone
Smiles: CC(=O)c1cnn(c1C)c1cc(nc(n1)c1ccccc1)Oc1ccccc1F

STK582227
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1cnccn1)CC

STK582228
Synonyms: 1',3,3'-trimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=O)N(C)C(=O)N(C1=O)C

STK582229
Synonyms: 5-[2-(benzyloxy)phenyl]-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccccc1OCc1ccccc1)N/N=C/c1ccc(cc1)C(C)C

STK582230
Synonyms: 4-(2-chlorophenyl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1ccccc1Cl)c1[nH]nc(c1)c1ccco1

STK582231
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1)O

STK582232
Synonyms: (E)-{4-[(3-methylbenzyl)oxy]phenyl}[2-(4-nitrophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])Cc1cc[nH+]cc1)/[O-]

STK582233
Synonyms: N-[(3Z)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-nitrobenzenesulfonamide
Smiles: CC(Cn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1cc(C)ccc1c2)C

STK582234
Synonyms: 3,6-diamino-N-(3-chlorophenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1cccc(c1)Cl

STK582236
Synonyms: N-(3-fluorophenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)F)nnc1c1ccccc1F

STK582237
Synonyms: N-[(2E)-3-(3-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1cccc(c1)Cl)CS(=O)(=O)C2

STK582241
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]furan-2-carboxamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccco1)c1ccccc1

STK582242
Synonyms: N'-{(1Z)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}benzohydrazide
Smiles: C/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1

STK582243
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(1,2,3,4-tetrahydroacridin-9-yl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1c2CCCCc2nc2c1cccc2

STK582244
Synonyms: 3-chloro-4-[(4-ethylphenyl)amino]-1-(naphthalen-1-yl)-1H-pyrrole-2,5-dione
Smiles: CCc1ccc(cc1)NC1=C(Cl)C(=O)N(C1=O)c1cccc2c1cccc2

STK582248
Synonyms: (4E)-4-{[(2-hydroxyethyl)amino]methylidene}-2-(4-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)C)C(=O)c2c1cccc2

STK582250
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1)C

STK582251
Synonyms: 6-(2-chloro-5-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
Smiles: Clc1ccc(cc1C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1)[N+](=O)[O-]

STK582252
Synonyms: N-(4-methylbenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
Smiles: Cc1ccc(cc1)CNc1nc2c(n1CCN1CCCCC1)cccc2

STK582254
Synonyms: (4E)-4-(dibenzo[b,d]furan-2-ylmethylidene)-2-(thiophen-2-yl)-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C/c1ccc2c(c1)c1ccccc1o2)c1cccs1

STK582255
Synonyms: ethyl5-methoxy-3-{[(2-methoxy-5-methylphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NS(=O)(=O)c1cc(C)ccc1OC)cc(cc2)OC

STK582256
Synonyms: 8-chloro-N-(3-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Clc1cccc(c1)Nc1ncnc2c1oc1c2cc(cc1)Cl

STK582257
Synonyms: 11-(3-bromophenyl)-10-methyl-8-(4-nitrophenyl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6(5H)-one
Smiles: Brc1cccc(c1)C1c2c(C)nn(c2N=c2n1c1ccccc1[nH]c2=O)c1ccc(cc1)[N+](=O)[O-]

STK582259
Synonyms: 2-chloro-N-[(2Z)-5-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCc1cccc(c1NC(=O)CSc1n[nH]/c(=N/C(=O)c2ccccc2Cl)/s1)CC

STK582261
Synonyms: (5-ethyl-1-hydroxy-2-methyl-3-oxido-4-phenyl-2,5-dihydro-1H-imidazol-2-yl)(4-methoxyphenyl)methanone
Smiles: CCC1N(O)C([N+](=C1c1ccccc1)[O-])(C)C(=O)c1ccc(cc1)OC

STK582262
Synonyms: N-(2-bromophenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Br)nnc1c1cccc(c1)C

STK582263
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Oc2ccccc2)nnc1COc1ccc(cc1)Cl

STK582264
Synonyms: 1-(4-chlorophenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nnc1COc1ccc(cc1)C

STK582265
Synonyms: 4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK582266
Synonyms: (4E)-1-benzyl-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(o1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1Cc1ccccc1

STK582267
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(4-chlorophenyl)-6-methyl-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: Clc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK582269
Synonyms: (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-fluorobenzyl)-2-hydroxy-3,5-dihydro-4H-imidazol-4-one
Smiles: Fc1ccc(cc1)CN1C(=N/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O)O

STK582270
Synonyms: 4-[(2E)-2-(2,3-dichlorobenzylidene)hydrazinyl]-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1N/N=C/c1cccc(c1Cl)Cl

STK582272
Synonyms: 8-(4-methoxyphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1ccc(cc1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK582274
Synonyms: (5Z)-3-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1ccc(cc1)C1NN/C(=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)Cl)O)/C1

STK582275
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-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)Cl)c1ccccn1

STK582276
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]cyclohexanecarboxamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)C1CCCCC1)c1ccc(cc1)Cl

STK582277
Synonyms: 1'-(2,2-dimethoxyethyl)-1-hexyl-6'-nitro-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCCCCN1C(=O)NC(=O)C2(C1=O)CN(CC(OC)OC)c1c(C2)cc(cc1)[N+](=O)[O-]

STK582279
Synonyms: N-(pyridin-2-ylmethyl)-2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamide
Smiles: O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)C)NCc1ccccn1

STK582280
Synonyms: 5-(4-chlorophenyl)-10-(2-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1cccc(c1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)Cl)C

STK582281
Synonyms: 5-(4-tert-butylphenyl)-4-{[(E)-(3-chlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C

STK582282
Synonyms: 9-(3,5-dimethylphenyl)-1-methyl-3-[2-(piperidin-1-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1cc(C)cc(c1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK582283
Synonyms: 3-(3-chlorophenyl)-4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1C)SCc1ccccc1C

STK582284
Synonyms: 1-(3-hydroxyphenyl)-2-(6-methyl-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582285
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-methylphenyl)carbonyl]-2'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3

STK582286
Synonyms: (4E)-2-(3,5-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(C)cc(c1)C

STK582288
Synonyms: 4-{(6E)-5-iminio-6-[(2-methyl-1H-indol-3-yl)methylidene]-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl}phenolate
Smiles: [O-]c1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3c(C)[nH]c4c3cccc4)/C2=[NH2+])s1

STK582289
Synonyms: 10-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(cc1)N(C)C)n(C)c(=O)n(c2=O)C

STK582291
Synonyms: 2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c1ccccn1

STK582294
Synonyms: N-(3-methylphenyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK582296
Synonyms: 5-(3-ethoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK582297
Synonyms: (5E)-3-(4-ethylphenyl)-6-hydroxy-5-[(piperidin-1-ylamino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(/C(=C\NN2CCCCC2)/C1=O)O

STK582298
Synonyms: 4-[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-N,N-dimethylaniline
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccc(cc1)N(C)C)c1ccccc1

STK582301
Synonyms: 1-amino-8,8-dimethyl-N-(pyridin-2-yl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)Nc1ccccn1

STK582303
Synonyms: 4-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)CC(C)C

STK582304
Synonyms: 5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
Smiles: COCCCNC(=O)c1cc2c([nH]1)ccc(c2)Cl

STK582306
Synonyms: N-(4-methoxybenzyl)-2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: COc1ccc(cc1)CNC(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK582307
Synonyms: 7-(4-fluorobenzyl)-6-hydroxy-8-{(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2O)\C)nc2c1c(O)nc(=O)n2C

STK582308
Synonyms: N-[(2Z)-3-(2,5-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: COc1ccc(c(c1)N1/C(=N/C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2)OC

STK582311
Synonyms: 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK582313
Synonyms: N-[3-(furan-2-yl)-6-methylheptyl]-4-methylcyclohexanamine
Smiles: CC(CCC(c1ccco1)CCNC1CCC(CC1)C)C

STK582314
Synonyms: (4E)-5-(2,4-dimethoxyphenyl)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1OC)OC

STK582316
Synonyms: 9-(3-hydroxy-4-methoxyphenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccc(c(c2)O)OC)ncn3)C1)O

STK582318
Synonyms: N-[(2Z)-3-(4-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)F)CS(=O)(=O)C2

STK582324
Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)-5,6-dimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)Nc1ccc2c(c1)n1CCN=c1s2

STK582327
Synonyms: (5E)-5-(1-{[2-(4-acetylpiperazin-1-yl)ethyl]amino}propylidene)-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCN2CCN(CC2)C(=O)C)/CC)/C1=O)O

STK582330
Synonyms: 6-(furan-2-yl)-2-methyl-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1

STK582331
Synonyms: 2-chloro-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl6-{[(4-methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK582332
Synonyms: methyl4-[2-(6-fluoro-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582333
Synonyms: 7-(4-methoxybenzyl)-8-(pyrrolidin-1-yl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1ccc(cc1)Cc1c(nc2n(c1=O)CCCS2)N1CCCC1

STK582334
Synonyms: methylN-[(3-methoxyphenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1cccc(c1)OC

STK582335
Synonyms: propyl[(2,5-dimethoxyphenyl)(hydroxy)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CCCOP(=O)(C(c1cc(OC)ccc1OC)O)c1ccc(cc1)N(C)C

STK582336
Synonyms: methyl4-{[(3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)c1oc2c(c1C)C(=O)CCC2

STK582337
Synonyms: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)CSc1nc2c(s1)cccc2)c1ccccc1

STK582339
Synonyms: 2-(ethylsulfanyl)-5-methyl-6-pentyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCCCc1c(C)nc2n(c1O)nc(n2)SCC

STK582340
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)c1cccc(c1)Cl

STK582341
Synonyms: 4-bromo-N-[(2E)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(cc1)Br)/[nH]2

STK582342
Synonyms: 1,1',3'-trimethyl-2-phenyl-2H,2'H,4H-spiro[dipyrido[1,2-a:2',3'-d]pyrimidine-3,5'-pyrimidine]-2',4',5,6'(1H,1'H,3'H)-tetrone
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1c(N(C2c2ccccc2)C)nc2n(c1=O)cccc2

STK582343
Synonyms: 6'-hydroxy-2,4-dimethyl-8-nitro-3'-(propan-2-yl)-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CC1OC(C)C2N(C1)c1ccc(cc1CC12C(=NC(=O)N(C1=O)C(C)C)O)[N+](=O)[O-]

STK582344
Synonyms: 4-fluoro-N-[2-(2-phenylethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)nc1n2CCN(C1)CCc1ccccc1

STK582345
Synonyms: N-(2-ethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1cccc(c1)C

STK582346
Synonyms: N-[4-({(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)phenyl]acetamide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/Nc1ccc(cc1)NC(=O)C

STK582347
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/C1=O)O

STK582348
Synonyms: 3-methoxy-N-[(3Z)-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]propanamide
Smiles: CCCn1[nH]/c(=N\C(=O)CCOC)/c2c1nc1ccccc1c2

STK582349
Synonyms: 2-[(2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2)C)NCc1ccccn1

STK582351
Synonyms: methyl2-({(E)-[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1ccccc1N/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2

STK582352
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)C)nnc1Cc1cccs1

STK582353
Synonyms: 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4-ol
Smiles: Clc1ccc(cc1)SCc1cc(O)nc(n1)N1CCc2c(C1)cccc2

STK582356
Synonyms: N-[(2Z)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)Cl)CS(=O)(=O)C2

STK582357
Synonyms: 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Smiles: Cc1ccc(cc1)c1nc(SCC(=O)N2CCCC2)c2c(n1)CC(OC2)(C)C

STK582359
Synonyms: 6-benzyl-1-(furan-2-ylmethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)Cc1ccccc1)Cc1ccco1

STK582361
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)F)nnc1c1cccc(c1)Cl

STK582362
Synonyms: 6-(furan-2-yl)-2-methyl-4-(4-methylphenyl)pyridazino[3',4':4,5]pyrimido[1,6-a]benzimidazol-1(4H)-one
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c2c1nc(c1ccco1)n1c2nc2c1cccc2

STK582364
Synonyms: 2-{[2-(morpholin-4-yl)ethyl]amino}-3-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1c2c(sc3c2CCCCC3)nc(n1CCc1ccccc1)NCCN1CCOCC1

STK582365
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK582367
Synonyms: N-(3-chlorophenyl)-2-(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetamide
Smiles: O=C(CC1NC(=O)c2c1cccc2)Nc1cccc(c1)Cl

STK582369
Synonyms: 6-ethyl-6-methyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCC1(C)OCc2c(C1)c1c(N)nc(nc1s2)SCCN1CCOCC1

STK582371
Synonyms: (2R)-({N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-D-isoleucyl}amino)(phenyl)ethanoicacid
Smiles: CC[C@H]([C@H](C(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)C

STK582372
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Smiles: O/C(=C/1\C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)/c1ccc2c(c1)OCCO2

STK582373
Synonyms: 1-(4-ethylphenyl)-N-(3-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1cccc(c1)OC)cc3c1ccc(cc1)C

STK582374
Synonyms: (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-[4-(trifluoromethoxy)phenyl]ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(cc3)OC(F)(F)F)/NCCc2cc1OC

STK582376
Synonyms: N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]-5-methoxy-1H-indole-2-carbohydrazide
Smiles: COc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1ccc(c(c1)O)OC

STK582378
Synonyms: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)Br)/C2=O)CCOC

STK582379
Synonyms: 8-(4-ethoxyphenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: CCOc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK582380
Synonyms: 3-methylbutyl[(2,6-dichlorophenyl)(hydroxy)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CC(CCOP(=O)(C(c1c(Cl)cccc1Cl)O)c1ccc(cc1)N(C)C)C

STK582381
Synonyms: (2-{[(2'S,3S,3'S,10b'R)-2'-(furan-2-ylcarbonyl)-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3

STK582382
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK582385
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK582387
Synonyms: 4-{(E)-hydroxy[2-(3-hydroxyphenyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-3-ylidene]methyl}-N,N-dimethylbenzenesulfonamide
Smiles: COCCN1C(c2cccc(c2)O)/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\O)/C(=O)C1=O

STK582388
Synonyms: (2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-(thiophen-2-yl)ethanone
Smiles: O=C(c1cccs1)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK582389
Synonyms: 3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CN1CCN(CC1)c1cc(nc2n1ncc2c1ccc(cc1)Cl)c1ccccc1

STK582390
Synonyms: 6''-amino-3''-propyl-2''H-dispiro[1,3-dioxolane-2,1'-cyclohexane-4',4''-pyrano[2,3-c]pyrazole]-5''-carbonitrile
Smiles: CCCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(=C(O2)N)C#N

STK582391
Synonyms: 9-(4-methylphenyl)-6-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1c(OC)cc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)C)ncn3)C1)O

STK582392
Synonyms: (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1)OC(F)(F)F

STK582393
Synonyms: 2-ethyl-1-{(2E)-2-[(2-hydroxy-6-methylquinolin-3-yl)methylidene]hydrazinyl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3cc(C)ccc3nc1O)c1ccccc1n2

STK582394
Synonyms: (4E)-1-(5-bromopyridin-2-yl)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cn1)Br)/O

STK582395
Synonyms: 8-butyl-4-hydroxy-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CCCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK582396
Synonyms: (3a'S,6a'R)-5-fluoro-3'-(1-hydroxyethyl)-5'-(3-methoxypropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(F)cc2

STK582397
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK582398
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)CSc1nnc(n1N)c1n[nH]c(c1)C

STK582400
Synonyms: 2-chloro-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)c1ccccc1Cl)CC1CCCO1

STK582401
Synonyms: 2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl[4-(2-fluorophenyl)piperazin-1-yl]methanone
Smiles: Fc1ccccc1N1CCN(CC1)C(=O)c1c2CCCc2nc2c1cccc2

STK582404
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(2-methylphenyl)ethanediamide
Smiles: O=C(C(=O)NCC1COc2c(O1)cccc2)Nc1ccccc1C

STK582405
Synonyms: N-(3,4-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccccn1

STK582406
Synonyms: methyl[3-(furan-2-ylmethyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetate
Smiles: COC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)Cc1ccco1)CCCCC3

STK582409
Synonyms: (4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1

STK582411
Synonyms: N-(2-fluorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1c1ccccn1

STK582412
Synonyms: 1-(4-methylphenyl)-6-propyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)C)S

STK582414
Synonyms: (5Z)-5-{[(2,4-dimethoxyphenyl)amino]methylidene}-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(c(c1)OC)N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)O

STK582416
Synonyms: 1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-3-methyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: COc1cc(CCN2C(=NC(=O)C3(C2=O)Cc2ccccc2N2C3CN(C)CC2)O)ccc1OC

STK582418
Synonyms: N-[4-(4-methoxyphenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-4-methylbenzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)C)c1ccc(cc1)C

STK582419
Synonyms: 9-(2-fluorobenzyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one
Smiles: Fc1ccccc1CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK582420
Synonyms: N-(biphenyl-2-yl)-2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1c1cccc(c1)Cl

STK582421
Synonyms: (2-benzylphenyl)(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)c1ccccc1Cc1ccccc1

STK582422
Synonyms: N-(2,4-dimethylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nnc(n1c1ccccc1)c1nccnc1

STK582423
Synonyms: 9-(3,5-difluorophenyl)-6-(4-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cc(F)cc(c2)F)nc(n3)C(F)(F)F)C1)O

STK582424
Synonyms: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-fluorophenyl)-5-(3-hydroxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)c1cc(Cl)c(cc1O)C

STK582425
Synonyms: N-(2,3-dimethoxybenzyl)-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cccc(c1OC)OC)CCCN1CCOCC1

STK582426
Synonyms: (4E)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(3-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1nnc(s1)SC

STK582427
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1F

STK582429
Synonyms: 3-(4-tert-butylphenyl)-5-[(3-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C

STK582430
Synonyms: 4-chloro-N-[7-(4-fluorophenyl)-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)c1ccccc1

STK582431
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK582432
Synonyms: N-(2,6-dimethylphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2C)nnc1COc1ccc(cc1)C

STK582433
Synonyms: 1-[1]benzofuro[3,2-d]pyrimidin-4-ylproline
Smiles: OC(=O)C1CCCN1c1ncnc2c1oc1c2cccc1

STK582434
Synonyms: {4-[(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]-2-methoxyphenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C

STK582435
Synonyms: 6-hydroxy-8-[(2-methoxyethyl)sulfanyl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
Smiles: COCCSc1nc2c(n1CCC(C)C)c(O)nc(=O)n2C

STK582436
Synonyms: 2-[2-amino-5-(3-methoxyphenoxy)-6-methylpyrimidin-4-yl]-5-[(2-chlorobenzyl)oxy]phenol
Smiles: COc1cccc(c1)Oc1c(C)nc(nc1c1ccc(cc1O)OCc1ccccc1Cl)N

STK582438
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(propan-2-yloxy)propyl]-8-[(3-hydroxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCCNc1nc2c(n1CC(COC(C)C)O)c(O)nc(=O)n2C

STK582441
Synonyms: 4-[({[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK582442
Synonyms: (8S,8aR,11aS)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonitrile
Smiles: N#C[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2C2N1C=Cc1c2cccc1)c1ccc(cc1)Cl

STK582443
Synonyms: N-(3-fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK582445
Synonyms: 3'-benzyl-6'-hydroxy-1,2,3,4,5,5a-hexahydro-2'H,7H,8H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2-a]azepine-6,5'-pyrimidine]-2',4',8(3'H)-trione
Smiles: O=C1N=C(O)C2(C(=O)N1Cc1ccccc1)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2

STK582446
Synonyms: 2-[(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-fluoro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(F)cc1

STK582447
Synonyms: N-(2-benzyl-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenoxypropanamide
Smiles: Oc1cc(NC(=O)C(Oc2ccccc2)C)n2c(n1)nc(n2)Cc1ccccc1

STK582448
Synonyms: 2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
Smiles: CC(C(=O)NCc1ccncc1)Oc1ccc2c(c1C)oc(=O)cc2C

STK582452
Synonyms: 4-(2,4-dichlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCCOc1ccc(cc1Cl)Cl

STK582453
Synonyms: N-(4-bromo-2-fluorophenyl)-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc(cc1F)Br)CCCn1cnc2c(c1=O)cccc2

STK582454
Synonyms: 10,10-dimethyl-2-(3-nitrophenyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: [O-][N+](=O)c1cccc(c1)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK582455
Synonyms: (5E)-6-hydroxy-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-phenylpyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)n1cccc1/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O

STK582457
Synonyms: ethyl{[2-(3-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC

STK582460
Synonyms: 7-methyl-10-(pyridin-3-ylmethyl)-10,11-dihydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
Smiles: Cc1c2OCN(Cc2cc2c1oc(=O)c1c2cccc1)Cc1cccnc1

STK582462
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nnc1COc1ccccc1

STK582465
Synonyms: 1,1'-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)imino]dipropan-2-ol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N(CC(O)C)CC(O)C

STK582466
Synonyms: (5E)-5-(1-{[4-(dimethylamino)phenyl]amino}propylidene)-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/Nc1ccc(cc1)N(C)C

STK582467
Synonyms: 4-methyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)Cc1cccnc1

STK582468
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK582469
Synonyms: (5E)-5-{1-[(3-aminophenyl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)N)/CC)/C1=O)O

STK582470
Synonyms: N'-[(E)-(3-hydroxyphenyl)methylidene]-5-[4-(pentyloxy)phenyl]-1H-pyrazole-3-carbohydrazide
Smiles: CCCCCOc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1cccc(c1)O

STK582471
Synonyms: 5-butyl-3-(4-fluorophenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylpentanoate
Smiles: CCCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCCC)cccc3)c1ccc(cc1)F

STK582472
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)[3-(trifluoromethyl)phenyl]methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1cccc(c1)C(F)(F)F

STK582473
Synonyms: 1-[11-(furan-2-yl)-1-hydroxy-3-methyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenoxyethanone
Smiles: CC1CC(=C2C(=Nc3ccccc3N(C2c2ccco2)C(=O)COc2ccccc2)C1)O

STK582474
Synonyms: 9-tert-butyl-N-[2-(2-hydroxyethoxy)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCOCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C

STK582475
Synonyms: 2-(4-methoxyphenyl)-7,7-dimethyl-4-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1ccc(cc1)c1nc(SCCN2CCCC2)c2c(n1)CC(OC2)(C)C

STK582476
Synonyms: 7-(4-acetylphenyl)-3-(4-chlorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Clc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK582478
Synonyms: (E)-{2-(2,3-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate
Smiles: COc1c(OC)cccc1C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)F)OC(C)C)/[O-]

STK582480
Synonyms: 6-(3,4-dimethoxyphenyl)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1CC(=C2C(=Nc3n(C2c2ccc(cc2)F)ncn3)C1)O

STK582482
Synonyms: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)O/C(=C\c1sccc1C)/C2=O

STK582483
Synonyms: 4-methoxy-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
Smiles: COc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC1CCCO1

STK582484
Synonyms: 5-(4-chlorophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3c1ccc(c(c1)O)O)n(C)c(=O)n(c2=O)C

STK582487
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK582488
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F)Br

STK582489
Synonyms: N-(4-fluorobenzyl)-Nalpha-{[1-(L-valyl)piperidin-4-yl]carbonyl}-L-phenylalaninamide
Smiles: O=C([C@H](Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)[C@H](C(C)C)N)NCc1ccc(cc1)F

STK582490
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)OC

STK582491
Synonyms: (5Z)-3-(3-chlorophenyl)-2-hydroxy-5-{[1-(propan-2-yl)-1H-indol-3-yl]methylidene}-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1cccc(c1)N1C(=N/C(=C\c2cn(c3c2cccc3)C(C)C)/C1=O)O

STK582492
Synonyms: 7-fluoro-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(Cc1nnc(s1)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)F)C

STK582493
Synonyms: (3a'S,6a'R)-5'-tert-butyl-3'-(3,4-dihydroxybenzyl)-5-fluoro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1ccc(c(c1)O)O)C(=O)N2

STK582494
Synonyms: 6-(1-hydroxy-2-methylpropan-2-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2cn1C(CO)(C)C)C

STK582495
Synonyms: N-(2-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1Cl)cc3c1ccc(cc1)F

STK582497
Synonyms: 3-(3-chlorobenzyl)-8-(3-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl

STK582498
Synonyms: methyl(3-{(E)-[1-(2-fluorobenzyl)-2-hydroxy-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene]methyl}-1H-indol-1-yl)acetate
Smiles: COC(=O)Cn1cc(c2c1cccc2)/C=C\1/N=C(N(C1=O)Cc1ccccc1F)O

STK582502
Synonyms: methylN-[(E)-(1-benzyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)Cc1ccccc1)S

STK582503
Synonyms: 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
Smiles: CCC(c1ccccc1)C(=O)NCCc1nnc2n1cccc2

STK582504
Synonyms: ethyl[(2Z)-2-{[(4-bromophenyl)carbonyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)c2ccc(cc2)Br)/[nH]1

STK582508
Synonyms: N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(thiophen-2-yl)acetamide
Smiles: COc1cccc(c1)N1/C(=N/C(=O)Cc2cccs2)/SC2C1CS(=O)(=O)C2

STK582510
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK582511
Synonyms: 4-(benzylamino)-2-(dimethylamino)pyridine-3-carbonitrile
Smiles: N#Cc1c(ccnc1N(C)C)NCc1ccccc1

STK582512
Synonyms: 3-[4-(ethoxycarbonyl)phenoxy]-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-methyl-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(C)c(c2=O)Oc1ccc(cc1)C(=O)OCC

STK582513
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1ccc(cc1)F

STK582514
Synonyms: 3-(4-fluorophenyl)-10-methyl-2-pentylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCCCCc1nc2c(c(=O)n1c1ccc(cc1)F)c(=O)c1c(n2C)cccc1

STK582517
Synonyms: 8-(3-chloro-2-methylphenyl)-1-methyl-3-(3-methylbutyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CC(CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1C)Cl)C

STK582518
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-(1-{[2-(piperidin-1-yl)ethyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCN1CCCCC1

STK582522
Synonyms: 6-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)-7-(2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCc1ccccc1)c(n2)CN1CCOCC1)C

STK582523
Synonyms: 7-methyl-8-[(2,3,5,6-tetramethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Smiles: CC1c2cc3OCCCOc3cc2CCN1S(=O)(=O)c1c(C)c(C)cc(c1C)C

STK582524
Synonyms: 8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK582525
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-5-fluoro-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(F)cc2)C

STK582526
Synonyms: 2-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine1,4-dioxide
Smiles: [O-][N+](=O)c1ccc(cc1)c1c[n+]([O-])c2c([n+]1[O-])CCCCC2

STK582527
Synonyms: 9-(3-methoxyphenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)OC)ncn3)C1)O

STK582528
Synonyms: 2-methyl-7-(propylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: CCCSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK582531
Synonyms: 2-(3-methoxypropyl)-1,3-dioxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
Smiles: COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)NCCc1ccccc1

STK582532
Synonyms: N-(4-fluorophenyl)-6-(4-oxoquinazolin-3(4H)-yl)hexanamide
Smiles: O=C(Nc1ccc(cc1)F)CCCCCn1cnc2c(c1=O)cccc2

STK582533
Synonyms: N-{4-[(2-methoxy-5-{(E)-[1-(3-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzyl)oxy]phenyl}acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)S

STK582535
Synonyms: N-[(2S)-1-(cyclohexylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CSCC[C@@H](C(=O)NC1CCCCC1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK582536
Synonyms: 2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8(9H)-one
Smiles: Cc1nc2oc3c(c2c2c1COC(C2)(C)C)nc[nH]c3=O

STK582538
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-3,4-diethoxybenzamide
Smiles: CCOc1cc(ccc1OCC)C(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK582539
Synonyms: 4-{(2E)-2-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydrazinyl}benzoicacid
Smiles: Clc1nc2c(C)cccc2cc1/C=N/Nc1ccc(cc1)C(=O)O

STK582540
Synonyms: 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)F

STK582541
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-diethylacetamide
Smiles: CCN(C(=O)CSc1nnc(o1)[C@H](CC(C)C)N)CC

STK582542
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)OC

STK582543
Synonyms: N-(butan-2-yl)-6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCC(Nc1nc(SC)nc2c1c1CC(C)(C)OCc1s2)C

STK582544
Synonyms: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Smiles: CCN(CCCn1c(C)cc2c(c1=O)C(c1ccc(c(c1)OC)OCc1ccccc1Cl)C(=C(O2)N)C#N)CC

STK582545
Synonyms: N-(4-butylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1cccc(c1)C

STK582546
Synonyms: (3a'R,8b'S)-7-chloro-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(N4C3CCC4)C(=O)Nc3c2cccc3Cl)ccc1OC

STK582551
Synonyms: 7'-[(E)-(1-hexyl-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: CCCCCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK582552
Synonyms: 2-{ethyl[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]amino}ethanol
Smiles: OCCN(c1ncnc2c1sc1c2c2CCCc2c(n1)CC(C)C)CC

STK582553
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK582554
Synonyms: 2-(furan-2-yl)-5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccco1

STK582555
Synonyms: (1,3-benzothiazol-2-ylsulfonyl)aceticacid
Smiles: OC(=O)CS(=O)(=O)c1nc2c(s1)cccc2

STK582556
Synonyms: 3-(3-fluorophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: Fc1cccc(c1)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCCC3

STK582559
Synonyms: 2-(4-methoxyphenyl)-7,7-dimethyl-4-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1ccc(cc1)c1nc(SCC(=C)C)c2c(n1)CC(OC2)(C)C

STK582560
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-(3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582561
Synonyms: 2,2,2-trichloro-N-[3-(1H-tetrazol-1-yl)phenyl]acetamide
Smiles: O=C(C(Cl)(Cl)Cl)Nc1cccc(c1)n1cnnn1

STK582562
Synonyms: 1-[(4-chlorophenyl)sulfonyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CN(c2c1nc1ccccc1n2)CCC1=CCCCC1

STK582564
Synonyms: 2-hydroxy-1-phenyl-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccccc1)O

STK582565
Synonyms: ethyl4-[({[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccco1

STK582566
Synonyms: N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/c1cc2ccc(cc2nc1Cl)C

STK582568
Synonyms: 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(2-methylpropyl)benzamide
Smiles: CC(CNC(=O)c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK582570
Synonyms: (5Z)-5-[5-(4-ethoxyphenyl)-1-phenylpyrazolidin-3-ylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C/2\CC(N(N2)c2ccccc2)c2ccc(cc2)OCC)/C1=O)O

STK582571
Synonyms: N-(2,4-difluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nnc1Cc1cccs1

STK582574
Synonyms: (6-fluoro-2-methylquinolin-4-yl)(4-methylpiperidin-1-yl)methanone
Smiles: CC1CCN(CC1)C(=O)c1cc(C)nc2c1cc(F)cc2

STK582575
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(4-methoxyphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NNC(=O)c1ccccc1

STK582576
Synonyms: 8-(4-fluorophenyl)-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Fc1ccc(cc1)n1c(C)c(n2c1nc1c2c(O)nc(=O)n1C)C

STK582577
Synonyms: 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
Smiles: Cc1ccc2c(c1)nc1c(c2)CCN1Cc1ccco1

STK582578
Synonyms: 1,3-dimethyl-5-{[2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(nc3n(c2=O)cccc3)N2CCOCC2)C(=O)N1C

STK582579
Synonyms: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)c1c2CCC1)NCCCN1CCCC1=O

STK582580
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1cccc(c1)C

STK582582
Synonyms: 1-(3-ethoxyphenyl)-2-(6-fluoro-1,3-benzothiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK582583
Synonyms: 8-[3-(benzyloxy)phenyl]-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1cccc(c1)OCc1ccccc1)c(=O)c1c(o2)c2ccccc2cc1

STK582585
Synonyms: 3-(3,4,5-trimethoxyphenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: COc1cc(cc(c1OC)OC)N1COc2c(C1)c1oc(=O)c3c(c1cc2)CCC3

STK582588
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4,5-dimethoxy-2-nitrobenzamide
Smiles: COc1cc(C(=O)/N=c\2/sc3c([nH]2)cccc3)c(cc1OC)[N+](=O)[O-]

STK582589
Synonyms: 7-methyl-1,2-di(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccn1)c1ccccn1

STK582591
Synonyms: (4E)-5-[4-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)OCc1ccccc1

STK582592
Synonyms: 7-fluoro-1-(4-fluorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc(cc1)C1N(C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F

STK582593
Synonyms: 3-(2-fluorophenyl)-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: Fc1ccccc1N1CCN2C(C1)C1(Cc3c2cccc3)C(=O)N(C)C(=O)N(C1=O)C

STK582594
Synonyms: 1,7-dimethyl-3-(2-methylpropyl)-8-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1ccccc1)C)C

STK582595
Synonyms: 4-oxo-N-{3-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cccc2)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2

STK582596
Synonyms: methylN-[(5-chloro-2-methylphenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cc(Cl)ccc1C

STK582597
Synonyms: 2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(s1)SCc1ccccc1

STK582598
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK582602
Synonyms: 2-(6-methyl-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(cc(c1OC)OC)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK582604
Synonyms: 8-(3-chlorophenyl)-9-[(3-hydroxypropyl)amino]-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Smiles: OCCCNc1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CCC1)CC(C)C

STK582605
Synonyms: 4-[({[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK582606
Synonyms: 5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-butyl-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc2c(c1)OCO2)O

STK582607
Synonyms: 3-(4-bromophenyl)-5-(2-ethyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-2,6-dihydroxypyrimidin-4(3H)-one
Smiles: CCN1CCc2c(C1c1c(O)nc(n(c1=O)c1ccc(cc1)Br)O)[nH]c1c2cccc1

STK582608
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nnc1c1ccccc1F

STK582609
Synonyms: N-(3,5-dimethoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1COc1ccccc1

STK582611
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide
Smiles: Cc1cc(OC(C(=O)NCc2cccnc2)C)c2c(c1)oc(=O)c(c2C)Cc1ccccc1

STK582612
Synonyms: 12-(3,4-dimethoxyphenyl)-2-(pyridin-4-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: COc1ccc(cc1OC)C1C2=C(CCCC2=O)Oc2c1c1nc(nn1cn2)c1ccncc1

STK582613
Synonyms: 6'-amino-5-methoxy-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: COc1ccc2c(c1)C1(C(=O)N2)C(=C(N)Oc2c1c(C)nn2c1ccccc1)C#N

STK582614
Synonyms: N-(4-bromo-3-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK582616
Synonyms: 2-[(3-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Smiles: N#Cc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK582617
Synonyms: N-(2-ethoxyphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccccc1NC(=O)CSc1nnc(n1c1ccccc1)c1cnccn1

STK582618
Synonyms: N-[3-(4-chlorophenyl)-4-oxo-4H-chromen-2-yl]-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1oc2ccccc2c(=O)c1c1ccc(cc1)Cl

STK582620
Synonyms: 6'-hydroxy-3-methyl-8-nitro-3'-(2-phenylethyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)CCc1ccccc1)O

STK582621
Synonyms: 1-{2-[2,2-dimethyl-4-(2-methylphenyl)tetrahydro-2H-pyran-4-yl]ethyl}piperidine
Smiles: Cc1ccccc1C1(CCOC(C1)(C)C)CCN1CCCCC1

STK582622
Synonyms: N-[2-(diethylamino)ethyl]-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CCN(CCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2)CC

STK582623
Synonyms: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(Cl)c(cc1n1c(=S)[nH]nc1c1cccnc1)OC

STK582625
Synonyms: 7-chloro-1-(4-ethoxyphenyl)-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK582626
Synonyms: 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one
Smiles: C=CCNc1c([N+](=O)[O-])c(=O)n(c2c1cccc2)CC

STK582627
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-N'-[(E)-thiophen-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1cscc1

STK582628
Synonyms: 4-nitro-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Smiles: O=c1[nH]c2ccccc2cc1CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Cc1cccnc1

STK582629
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1c1ccccn1

STK582632
Synonyms: N-[2-(2-fluorophenyl)ethyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
Smiles: COc1ccc2c(c1)c1ncnc(c1[nH]2)NCCc1ccccc1F

STK582633
Synonyms: N-[(2E)-4,7-dimethylquinazolin-2(1H)-ylidene]-5-(tetrahydrofuran-2-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C1=NCN(CN1)CC1CCCO1)/nc2C

STK582634
Synonyms: (1S,2S)-2-phenyl-N'-[(E)-quinoxalin-2-ylmethylidene]cyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cnc2c(n1)cccc2

STK582636
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-methylphenyl)hexanamide
Smiles: O=C(Nc1ccc(cc1)C)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK582637
Synonyms: (2Z)-1-(4-bromophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(cc3)Br)/NCCc2cc1OC

STK582638
Synonyms: N-(3-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK582639
Synonyms: N-(2-chloro-4,6-dimethylphenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK582641
Synonyms: (2'S,3R,7a'S)-N-(2,5-dimethoxyphenyl)-5,7-dimethyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(C)cc1C)CCC2)OC

STK582642
Synonyms: 7-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2)/C1=O)C

STK582643
Synonyms: 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: O=C(Cn1c(=O)sc2c1cccc2)/N=c\1/[nH]nc(s1)SCC(=O)c1ccccc1

STK582645
Synonyms: 1'-tert-butyl-3-(2,5-dimethyl-1H-pyrrol-1-yl)-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2CCCCC1)n1c(C)ccc1C

STK582646
Synonyms: 1-{[1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK582647
Synonyms: N-(2,4-dimethylphenyl)-5-methyl-7-(thiophen-3-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
Smiles: Cc1ccc(c(c1)C)NC(=O)C1=C(C)Nc2n(C1c1cscc1)nnn2

STK582648
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}pyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C)NCCc1ccccc1

STK582649
Synonyms: 4-{3-[(E)-(2-hydroxy-5-oxo-1-phenyl-1,5-dihydro-4H-imidazol-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzenesulfonamide
Smiles: O=C1/C(=C\c2cc(n(c2C)c2ccc(cc2)S(=O)(=O)N)C)/N=C(N1c1ccccc1)O

STK582651
Synonyms: N,1-dibenzyl-N-butyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: CCCCN(C(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1)Cc1ccccc1

STK582656
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-methoxyphenyl)carbonyl]-2'-[(4-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK582657
Synonyms: (4E)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)[N+](=O)[O-]

STK582658
Synonyms: (4E)-4-{[(2,4-dimethoxyphenyl)amino]methylidene}-2-(4-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)OC)N/C=C\1/C(=O)N(c2ccc(cc2)C)C(=O)c2c1cccc2

STK582659
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O

STK582660
Synonyms: ethyl2-amino-1-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1F)Cl

STK582661
Synonyms: 6-amino-N'-[(E)-quinolin-8-ylmethylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1cccc2c1nccc2

STK582662
Synonyms: methylN-[(2-chlorophenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccccc1Cl

STK582663
Synonyms: (4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)c2c(/C/1=C\NC1CCS(=O)(=O)C1)cccc2

STK582664
Synonyms: 1-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK582665
Synonyms: N-[(2E)-3-(4-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: Clc1ccc(cc1)N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2

STK582667
Synonyms: N-(2-hydroxyethyl)-5-methyl-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CCC2

STK582669
Synonyms: 5-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-2,6-dihydroxy-3-(2-phenylethyl)pyrimidin-4(3H)-one
Smiles: Clc1ccc(cc1)/C=C/C(=O)c1c(O)nc(n(c1=O)CCc1ccccc1)O

STK582671
Synonyms: 8-(3-methoxyphenyl)-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CCN1CCCCC1

STK582673
Synonyms: N-(2-tert-butylphenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1cccc(c1)OC

STK582674
Synonyms: N-(furan-2-ylmethyl)-4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
Smiles: COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)OC)Cc1ccco1

STK582675
Synonyms: 4-[(2E)-2-(3-hydroxybenzylidene)hydrazinyl]benzoicacid
Smiles: Oc1cccc(c1)/C=N/Nc1ccc(cc1)C(=O)O

STK582676
Synonyms: {4-[(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C

STK582680
Synonyms: ethyl1-(8-chloro[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)c1ncnc2c1oc1c2cc(cc1)Cl

STK582682
Synonyms: 1'-butyl-6-hydroxy-6'-nitro-3-(propan-2-yl)-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: CCCCN1c2ccc(cc2CC2(C1CCC)C(=NC(=O)N(C2=O)C(C)C)O)[N+](=O)[O-]

STK582683
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK582684
Synonyms: 9'-fluoro-1-methyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1cccc(c1N1C2CCC1)F

STK582685
Synonyms: (3a'S,6a'R)-5-bromo-5'-(butan-2-yl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Br)cc2)C

STK582686
Synonyms: N-(2-{2-[(E)-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indol-3-yl}ethyl)-N-ethylacetamide
Smiles: CCN(C(=O)C)CCc1c(/C=C/2\C(=O)NC(=O)N(C2=O)CCc2ccc(c(c2)OC)OC)[nH]c2c1cccc2

STK582690
Synonyms: 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C)C

STK582691
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Smiles: CCOc1ccc(cc1OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[O-]

STK582692
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1