FULL DB

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

STL329581
Synonyms: 1,3-bis(2-methoxyphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NCCN2CCCCC2)/C(=O)N(C1=S)c1ccccc1OC

STL349586
Synonyms: 1,3-bis(2-methylphenyl)-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C(=O)/C(=C/Nc2ccc(cc2)C(C)C)/C(=O)N1c1ccccc1C)c1ccccc1C

STL325967
Synonyms: 1,3-bis(3-chloro-2-hydroxypropyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Smiles: ClCC(Cn1c2ccccc2[n+](c1C)CC(CCl)O)O

STL296014
Synonyms: 1,3-bis(4-bromobenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Smiles: Brc1ccc(cc1)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1)Br

STL322370
Synonyms: 1,3-bis(4-ethoxybenzyl)-5-fluoropyrimidine-2,4(1H,3H)-dione
Smiles: CCOc1ccc(cc1)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1)OCC

STL303940
Synonyms: 1,3-bis(cyclohexylamino)-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(NC2CCCCC2)nc(c2c1CCN(C2)C)NC1CCCCC1

STL326087
Synonyms: 1,3-bis(diethylamino)propane-2-thiol
Smiles: CCN(CC(CN(CC)CC)S)CC

STL297815
Synonyms: 1,3-bis(dimethylamino)anthracene-9,10-dione
Smiles: CN(c1cc(cc2c1C(=O)c1ccccc1C2=O)N(C)C)C

STL323771
Synonyms: 1,3-bis(thiiran-2-ylmethyl)-1,3-dihydro-2H-benzimidazol-2-one
Smiles: O=c1n(CC2SC2)c2c(n1CC1SC1)cccc2

STL328587
Synonyms: 1,3-bis[(2-chlorophenyl)(4-chlorophenyl)methyl]urea
Smiles: O=C(NC(c1ccccc1Cl)c1ccc(cc1)Cl)NC(c1ccccc1Cl)c1ccc(cc1)Cl

STL330705
Synonyms: 1,3-bis[(3-fluorophenyl)(phenyl)methyl]urea
Smiles: Fc1cccc(c1)C(c1ccccc1)NC(=O)NC(c1cccc(c1)F)c1ccccc1

STL363161
Synonyms: 1,3-bis[2-(acetyloxy)ethyl]-5-(ethoxycarbonyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Smiles: CCOC(=O)c1ccc2c(c1)[n+](CCOC(=O)C)c(n2CCOC(=O)C)C

STL334848
Synonyms: 1,3-bis[2-hydroxy-3-(morpholin-4-yl)propyl]quinazoline-2,4(1H,3H)-dione
Smiles: OC(Cn1c(=O)n(CC(CN2CCOCC2)O)c2c(c1=O)cccc2)CN1CCOCC1

STL321005
Synonyms: 1,3-bis[2-hydroxy-3-(piperidin-1-yl)propyl]-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one
Smiles: OC(Cn1c(c2ccccc2)c(n(c1=O)CC(CN1CCCCC1)O)c1ccccc1)CN1CCCCC1

STL321910
Synonyms: 1,3-bis[3-(azepan-1-yl)-2-hydroxypropyl]-1,3-dihydro-2H-benzimidazol-2-one
Smiles: OC(Cn1c2ccccc2n(c1=O)CC(CN1CCCCCC1)O)CN1CCCCCC1

STL320965
Synonyms: 1,3-bis[3-(diethylamino)-2-hydroxypropyl]quinazoline-2,4(1H,3H)-dione
Smiles: CCN(CC(Cn1c(=O)c2ccccc2n(c1=O)CC(CN(CC)CC)O)O)CC

STL301009
Synonyms: 1,3-bis{4-[(E)-(hydroxyimino)methyl]phenoxy}propan-2-ol
Smiles: OC(COc1ccc(cc1)/C=N/O)COc1ccc(cc1)/C=N/O

STL326908
Synonyms: 1,3-di(morpholin-4-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propane-1,3-dione
Smiles: O=C(C(C12CC3CC(C2)CC(C1)C3)C(=O)N1CCOCC1)N1CCOCC1

STL298476
Synonyms: 1,3-di(morpholin-4-yl)propan-2-ol
Smiles: OC(CN1CCOCC1)CN1CCOCC1

STL298530
Synonyms: 1,3-di(morpholin-4-yl)propan-2-ylhexanoate
Smiles: CCCCCC(=O)OC(CN1CCOCC1)CN1CCOCC1

STL353337
Synonyms: 1,3-diacetyl-2-oxoimidazolidine-4,5-diyldiacetate
Smiles: CC(=O)OC1C(OC(=O)C)N(C(=O)N1C(=O)C)C(=O)C

STL353339
Synonyms: 1,3-diacetyl-4,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CN1C(=O)N(C2C1N(C(=O)C)C(=O)N2C(=O)C)C

STL323795
Synonyms: 1,3-diamino-1,3-dioxopropan-2-yldiethylcarbamodithioate
Smiles: CCN(C(=S)SC(C(=O)N)C(=O)N)CC

STL335992
Synonyms: 1,3-dibenzyl-6-bromo-5-nitro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Smiles: [O-][N+](=O)c1nc2c(cc1Br)n(c(=O)n2Cc1ccccc1)Cc1ccccc1

STL334127
Synonyms: 1,3-dibenzyl-6-chloro-5-nitro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Smiles: [O-][N+](=O)c1nc2c(cc1Cl)n(c(=O)n2Cc1ccccc1)Cc1ccccc1

STL321820
Synonyms: 1,3-dibenzyl-6-methylpyrimidine-2,4(1H,3H)-dione
Smiles: Cc1cc(=O)n(c(=O)n1Cc1ccccc1)Cc1ccccc1

STL303480
Synonyms: 1,3-dibutoxy-6H-benzo[c]chromen-6-one
Smiles: CCCCOc1cc(OCCCC)c2c(c1)oc(=O)c1c2cccc1

STL357444
Synonyms: 1,3-dicyclohexyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=CNc2cccc(c2)C(F)(F)F)C(=O)N1C1CCCCC1

STL357434
Synonyms: 1,3-dicyclohexyl-5-{[(3,4-difluorophenyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=CNc2ccc(c(c2)F)F)C(=O)N1C1CCCCC1

STL357488
Synonyms: 1,3-dicyclohexyl-5-{[(3,4-dimethylphenyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=CNc2ccc(c(c2)C)C)C(=O)N1C1CCCCC1

STL357493
Synonyms: 1,3-dicyclohexyl-5-{[(4-methylphenyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1C(=CNc2ccc(cc2)C)C(=O)N(C(=O)N1C1CCCCC1)C1CCCCC1

STL357487
Synonyms: 1,3-dicyclohexyl-5-{[(thiophen-2-ylmethyl)amino]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C2CCCCC2)C(=O)C(=CNCc2cccs2)C(=O)N1C1CCCCC1

STL322961
Synonyms: 1,3-diethyl-4,5,7-trifluoro-2-methyl-6-(trifluoromethyl)-1H-benzimidazol-3-ium
Smiles: CCn1c2c([n+](c1C)CC)c(F)c(c(c2F)C(F)(F)F)F

STL321739
Synonyms: 1,3-diethyl-4,6-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CCN1C(=O)N(C2C1N(C)C(=O)N2C)CC

STL363163
Synonyms: 1,3-diethyl-5,6-bis(methoxycarbonyl)-2-methyl-1H-3,1-benzimidazol-3-ium
Smiles: COC(=O)c1cc2[n+](CC)c(n(c2cc1C(=O)OC)CC)C

STL329989
Synonyms: 1,3-diethyl-5-({[2-(morpholin-4-yl)ethyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=S)N(CC)C(=O)C(=CNCCN2CCOCC2)C1=O

STL330160
Synonyms: 1,3-diethyl-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=O)C(=CNCCCn2cncc2)C(=O)N(C1=S)CC

STL324366
Synonyms: 1,3-diethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Smiles: CCN1C2NC(=S)NC2N(C1=O)CC

STL329562
Synonyms: 1,3-diethyl-5-[(morpholin-4-ylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCN1C(=S)N(CC)C(=O)C(=CNN2CCOCC2)C1=O

STL346173
Synonyms: 1,3-diethylquinoxalin-2(1H)-one
Smiles: CCc1nc2ccccc2n(c1=O)CC

STL328103
Synonyms: 1,3-dihydro-2H-indol-2-ylidenepropanedinitrile
Smiles: N#CC(=C1Cc2c(N1)cccc2)C#N

STL356542
Synonyms: 1,3-dihydroimidazo[4,5-g]indeno[1,2-b]quinoxaline-2,10-dione
Smiles: O=c1[nH]c2c([nH]1)cc1c(c2)nc2c(n1)C(=O)c1c2cccc1

STL325497
Synonyms: 1,3-dihydroxy-4,4,5-trimethylimidazolidine-2-carboxylate
Smiles: [O-]C(=O)C1N(O)C(C(N1O)(C)C)C

STL351328
Synonyms: 1,3-diimino-4,6-bis(2-methoxyphenyl)dihydro-1H-furo[3,4-c]pyrrole-3a,6a(3H,4H)-dicarbonitrile
Smiles: N#CC12C(=N)OC(=N)C2(C#N)C(NC1c1ccccc1OC)c1ccccc1OC

STL351117
Synonyms: 1,3-dimethyl-1-[2-(pyridin-2-yl)ethyl]thiourea
Smiles: CNC(=S)N(CCc1ccccn1)C

STL325035
Synonyms: 1,3-dimethyl-10-(4-methylphenyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)N1CCCCn2c1nc1c2c(=O)n(c(=O)n1C)C

STL308378
Synonyms: 1,3-dimethyl-1H-pyrazole-4-carboxamide
Smiles: Cn1nc(c(c1)C(=O)N)C

STL297449
Synonyms: 1,3-dimethyl-2,6-diphenylpiperidin-4-one
Smiles: CN1C(CC(=O)C(C1c1ccccc1)C)c1ccccc1

STL325012
Synonyms: 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-benzimidazol-3-ium
Smiles: COc1cc(OC)c(cc1c1n(C)c2c([n+]1C)cccc2)OC

STL325264
Synonyms: 1,3-dimethyl-2-(2,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzimidazole
Smiles: COc1cc(OC)c(cc1C1N(C)c2c(N1C)cccc2)OC

STL321341
Synonyms: 1,3-dimethyl-3a,6a-diphenyl-4-(propan-2-yl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CC(N1C(=O)NC2(C1(c1ccccc1)N(C)C(=O)N2C)c1ccccc1)C

STL349544
Synonyms: 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol
Smiles: [O-][N+](=O)c1c(C)nn(c1O)C

STL343214
Synonyms: 1,3-dimethyl-5,5-diphenylimidazolidine-2,4-dione
Smiles: CN1C(=O)N(C(=O)C1(c1ccccc1)c1ccccc1)C

STL345039
Synonyms: 1,3-dimethyl-5,6-bis(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)n1cc2c(c1c1cccc(c1)C)c(=O)n(c(=O)n2C)C

STL339888
Synonyms: 1,3-dimethyl-5-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C(NCCCN2CCOCC2)C)C1=O

STL335197
Synonyms: 1,3-dimethyl-5-(1-{[3-(octylamino)phenyl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCCCNc1cccc(c1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C

STL344643
Synonyms: 1,3-dimethyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=Cc2cc3CCCN4c3c(c2)CCC4)C1=O

STL344891
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)n1cc2c(c1c1cccc(c1)C)c(=O)n(c(=O)n2C)C

STL346251
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-(morpholin-4-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)N1CCOCC1

STL342798
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-(naphthalen-1-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1cccc2c1cccc2

STL342950
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(C)c(=O)n2C)C(C)C

STL345945
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(CC2CCCO2)cc2c1c(=O)n(c(=O)n2C)C

STL345365
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-pentyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCCCCn1cc2c(c1c1cccc(c1)C)c(=O)n(c(=O)n2C)C

STL343500
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1ccccc1

STL344645
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCCn1cc2c(c1c1cccc(c1)C)c(=O)n(c(=O)n2C)C

STL344384
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1cccc(c1)C(F)(F)F

STL363102
Synonyms: 1,3-dimethyl-5-(3-methylphenyl)pyrimido[4',5':3,4]pyrrolo[1,2-b]pyridazine-2,4(1H,3H)-dione
Smiles: Cc1cccc(c1)c1c2c(=O)n(C)c(=O)n(c2c2n1nccc2)C

STL346304
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-(morpholin-4-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)N1CCOCC1

STL343278
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)C(C)C

STL345197
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(Cc2ccccn2)cc2c1c(=O)n(c(=O)n2C)C

STL345024
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-3-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(Cc2cccnc2)cc2c1c(=O)n(c(=O)n2C)C

STL344713
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(CC2CCCO2)cc2c1c(=O)n(C)c(=O)n2C

STL363094
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1ccccc1

STL363089
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: CCCn1cc2c(c1c1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STL345658
Synonyms: 1,3-dimethyl-5-(4-methylphenyl)-6-[3-(morpholin-4-yl)propyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(CCCN2CCOCC2)cc2c1c(=O)n(c(=O)n2C)C

STL321735
Synonyms: 1,3-dimethyl-5-(4-nitrophenyl)-6-nitroso-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
Smiles: O=NN1c2ccccc2Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)n(C)c(=O)n2C

STL327902
Synonyms: 1,3-dimethyl-5-(9H-xanthen-9-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)N(C(=O)C1C1c2ccccc2Oc2c1cccc2)C

STL302463
Synonyms: 1,3-dimethyl-5-({1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-indol-3-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C(N1CCCC1)Cn1cc(c2c1cccc2)C=C1C(=O)N(C)C(=O)N(C1=O)C

STL357591
Synonyms: 1,3-dimethyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C(=O)N1C

STL320964
Synonyms: 1,3-dimethyl-5-({[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(C12CC3CC(C2)CC(C1)C3)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STL313029
Synonyms: 1,3-dimethyl-5-({[2-(2-methylphenoxy)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=CNCCOc2ccccc2C)C(=O)N1C

STL321027
Synonyms: 1,3-dimethyl-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=CNCCN2CCCCC2)C1=O

STL357521
Synonyms: 1,3-dimethyl-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=CNc2cccc(c2)C(F)(F)F)C(=O)N1C

STL320767
Synonyms: 1,3-dimethyl-5-({[4-(pyridin-4-ylmethyl)phenyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=CNc2ccc(cc2)Cc2ccncc2)C1=O

STL347277
Synonyms: 1,3-dimethyl-5-nitro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Smiles: [O-][N+](=O)c1ccc2c(n1)n(C)c(=O)n2C

STL333534
Synonyms: 1,3-dimethyl-5-nonylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCCCCC1C(=O)N(C)C(=O)N(C1=O)C

STL347174
Synonyms: 1,3-dimethyl-5-phenyl-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: O=c1c2c(c3ccccc3)n(cc2n(c(=O)n1C)C)CCc1ccccc1

STL363085
Synonyms: 1,3-dimethyl-5-phenyl-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c(=O)c2c(c3ccccc3)n(cc2n(c1=O)C)C(C)C

STL345269
Synonyms: 1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c2cn(c(c2c(=O)n(c1=O)C)c1ccccc1)Cc1ccccn1

STL344565
Synonyms: 1,3-dimethyl-5-phenyl-6-(pyridin-3-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: O=c1c2c(c3ccccc3)n(cc2n(c(=O)n1C)C)Cc1cccnc1

STL342891
Synonyms: 1,3-dimethyl-5-phenyl-6-(tetrahydrofuran-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c2cn(c(c2c(=O)n(c1=O)C)c1ccccc1)CC1CCCO1

STL343926
Synonyms: 1,3-dimethyl-5-phenyl-6-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c2cn(c(c2c(=O)n(c1=O)C)c1ccccc1)c1ccc(cc1)CN1CCCCC1

STL360329
Synonyms: 1,3-dimethyl-5-thioxohexahydroimidazo[4,5-d]imidazol-2(1H)-one
Smiles: S=C1NC2C(N1)N(C(=O)N2C)C

STL363839
Synonyms: 1,3-dimethyl-5-[(1,2,5-triphenyl-1H-pyrrol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=Cc2cc(n(c2c2ccccc2)c2ccccc2)c2ccccc2)C1=O

STL338929
Synonyms: 1,3-dimethyl-5-[(1-propyl-1H-indol-3-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCn1cc(c2c1cccc2)C=C1C(=O)N(C)C(=O)N(C1=O)C

STL340982
Synonyms: 1,3-dimethyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1N(C)C(=O)C(=Cc2c([nH]c3c2cccc3)c2ccccc2)C(=O)N1C

STL318461
Synonyms: 1,3-dimethyl-5-[(morpholin-4-ylamino)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=S)N(C)C(=O)C(=CNN2CCOCC2)C1=O

STL303059
Synonyms: 1,3-dimethyl-5-[2-(pyridin-4-yl)ethyl]-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1cc(cc(c1OC)OC)CC1(CCc2ccncc2)C(=O)N(C)C(=O)N(C1=O)C

STL316643
Synonyms: 1,3-dimethyl-5-[3,6,7-trihydroxy-1-(propan-2-yl)-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Oc1ccc2c(c1O)oc1c2nc2c(c1c1ccc3c(c1)n(C)c(=O)n3C)c(nn2C(C)C)O

STL349128
Synonyms: 1,3-dimethyl-5-[4-(2-oxo-2-phenylethoxy)benzyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1C(Cc2ccc(cc2)OCC(=O)c2ccccc2)C(=O)N(C(=O)N1C)C

STL335262
Synonyms: 1,3-dimethyl-5-[4-(octyloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCCCCCCCOc1ccc(cc1)C=C1C(=O)N(C)C(=O)N(C1=O)C

STL350297
Synonyms: 1,3-dimethyl-5-[5-(5-methylthiophen-2-yl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C2NNC(C2)c2ccc(s2)C)C1=O

STL341552
Synonyms: 1,3-dimethyl-5-{1-[(1-phenylethyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CC(c1ccccc1)NC(=C1C(=O)N(C)C(=O)N(C1=O)C)C

STL320669
Synonyms: 1,3-dimethyl-5-{1-[(1-phenylethyl)amino]propylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)NC(c1ccccc1)C

STL340591
Synonyms: 1,3-dimethyl-5-{1-[(2-phenylethyl)amino]ethylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)N(C)C(=O)C(=C(NCCc2ccccc2)C)C1=O

STL340911
Synonyms: 1,3-dimethyl-5-{1-[(2-phenylethyl)amino]propylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)NCCc1ccccc1

STL342313
Synonyms: 1,3-dimethyl-5-{[2-(phenylcarbonyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c([nH]c3c2cccc3)C(=O)c2ccccc2)C(=O)N1C

STL332522
Synonyms: 1,3-dimethyl-5-{[2-methyl-1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccccc2)C(=O)N1C

STL343068
Synonyms: 1,3-dimethyl-6-(2-methylphenyl)-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1cccc(c1)c1n(cc2c1c(=O)n(c(=O)n2C)C)c1ccccc1C

STL363095
Synonyms: 1,3-dimethyl-6-(2-methylphenyl)-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cc1ccc(cc1)c1n(cc2c1c(=O)n(C)c(=O)n2C)c1ccccc1C

STL320844
Synonyms: 1,3-dimethyl-6-(2-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}phenoxy)pyrimidine-2,4(1H,3H)-dione
Smiles: COc1c(OC)cc(cc1OC)/C=N/c1ccccc1Oc1cc(=O)n(c(=O)n1C)C

STL320708
Synonyms: 1,3-dimethyl-6-(2-{[(E)-(4-nitrophenyl)methylidene]amino}phenoxy)pyrimidine-2,4(1H,3H)-dione
Smiles: O=c1cc(Oc2ccccc2/N=C/c2ccc(cc2)[N+](=O)[O-])n(c(=O)n1C)C

STL346077
Synonyms: 1,3-dimethyl-6-(morpholin-4-yl)-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c2cn(c(c2c(=O)n(c1=O)C)c1ccccc1)N1CCOCC1

STL317453
Synonyms: 1,3-dimethyl-6-(propan-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Smiles: O=C(c1cc(nc2c1c(C)nn2C)C(C)C)NCc1nnc2n1cccc2

STL313731
Synonyms: 1,3-dimethyl-6-(propan-2-yl)-N-[3-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Smiles: O=C(c1cc(nc2c1c(C)nn2C)C(C)C)Nc1[nH]nc(n1)C1CCCO1

STL334812
Synonyms: 1,3-dimethyl-6-nitro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Smiles: [O-][N+](=O)c1cnc2c(c1)n(C)c(=O)n2C

STL312852
Synonyms: 1,3-dimethyl-6-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Smiles: O=C(c1cc(nc2c1c(C)nn2C)c1ccccc1)NCc1cccnc1

STL345914
Synonyms: 1,3-dimethyl-6-[3-(morpholin-4-yl)propyl]-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: Cn1c2cn(c(c2c(=O)n(c1=O)C)c1ccccc1)CCCN1CCOCC1

STL363081
Synonyms: 1,3-dimethyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: O=c1c2cn(cc2n(c(=O)n1C)C)c1cccc(c1)C(F)(F)F

STL325215
Synonyms: 1,3-dimethyl-6-{2-[(3,4,5-trimethoxybenzyl)amino]phenoxy}pyrimidine-2,4(1H,3H)-dione
Smiles: COc1c(OC)cc(cc1OC)CNc1ccccc1Oc1cc(=O)n(c(=O)n1C)C

STL349460
Synonyms: 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1CC(=C)C)c(=O)n(c(=O)n2C)C

STL339760
Synonyms: 1,3-dimethyl-7-(2-methylpropyl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(Cn1c(CN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C)C

STL339156
Synonyms: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C

STL346006
Synonyms: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C

STL339250
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCc1ccccc1)c(n2)CN1CCCCC1

STL344965
Synonyms: 1,3-dimethyl-7-(2-phenylethyl)-8-propoxy-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCOc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STL329297
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1)C

STL329502
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCOCC1)C

STL329359
Synonyms: 1,3-dimethyl-7-(3-methylbutyl)-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCC1)C

STL343789
Synonyms: 1,3-dimethyl-7-(3-nitrophenyl)[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: [O-][N+](=O)c1cccc(c1)c1cn2c(o1)nc1c2c(=O)n(C)c(=O)n1C

STL344468
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CSc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STL340475
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C

STL344293
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(SCCN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STL362799
Synonyms: 1,3-dimethyl-7-(4-methylphenyl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)c1cn2c(n1Cc1cccnc1)nc1c2c(=O)n(C)c(=O)n1C

STL362802
Synonyms: 1,3-dimethyl-7-(4-methylphenyl)-8-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)c1cn2c(n1CCN1CCOCC1)nc1c2c(=O)n(c(=O)n1C)C

STL339039
Synonyms: 1,3-dimethyl-7-(4-nitrobenzyl)-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STL312912
Synonyms: 1,3-dimethyl-7-(4-nitrobenzyl)-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1c(NCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STL347898
Synonyms: 1,3-dimethyl-7-(4-nitrophenyl)-8-(1-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: [O-][N+](=O)c1ccc(cc1)c1cn2c(n1C(c1ccccc1)C)nc1c2c(=O)n(C)c(=O)n1C

STL296008
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(cn2)Cc1cccc2c1cccc2

STL344224
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCNc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL339322
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc3c1cccc3)c(n2)N1CCCC1

STL344016
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-propoxy-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCOc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL362785
Synonyms: 1,3-dimethyl-7-(naphthalen-2-yl)-8-(2-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3CCc2ccccc2)c2ccc3c(c2)cccc3)n(c(=O)n1C)C

STL362780
Synonyms: 1,3-dimethyl-7-(naphthalen-2-yl)-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3Cc2cccnc2)c2ccc3c(c2)cccc3)n(c(=O)n1C)C

STL362782
Synonyms: 1,3-dimethyl-7-(naphthalen-2-yl)-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3CC2CCCO2)c2ccc3c(c2)cccc3)n(c(=O)n1C)C

STL362787
Synonyms: 1,3-dimethyl-7-(naphthalen-2-yl)-8-[3-(propan-2-yloxy)propyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(OCCCn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc2c(c1)cccc2)C

STL325968
Synonyms: 1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C

STL340544
Synonyms: 1,3-dimethyl-7-pentyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

STL348754
Synonyms: 1,3-dimethyl-7-phenyl-8-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: C=CCn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STL362768
Synonyms: 1,3-dimethyl-7-phenyl-8-(pyridin-3-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1C)cc(n3Cc1cccnc1)c1ccccc1

STL362769
Synonyms: 1,3-dimethyl-7-phenyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3CC2CCCO2)c2ccccc2)n(c(=O)n1C)C

STL341501
Synonyms: 1,3-dimethyl-7-[(2-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCCCN1Cn1cnc2c1c(=O)n(C)c(=O)n2C

STL341829
Synonyms: 1,3-dimethyl-7-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STL340407
Synonyms: 1,3-dimethyl-7-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STL339680
Synonyms: 1,3-dimethyl-7-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(cn2)CN1CCN(CC1)c1ccccc1

STL342127
Synonyms: 1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-8-(morpholin-4-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCN1CCOCC1)c(n2)CN1CCOCC1

STL295968
Synonyms: 1,3-dimethyl-7-[3-(trimethylsilyl)propyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCC[Si](C)(C)C)cn2

STL342389
Synonyms: 1,3-dimethyl-8-(3-methylphenyl)-7-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)c1cn2c(n1c1cccc(c1)C)nc1c2c(=O)n(C)c(=O)n1C

STL362800
Synonyms: 1,3-dimethyl-8-(4-methylbenzyl)-7-(4-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1ccc(cc1)Cn1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)C

STL348571
Synonyms: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(1-oxo-1-phenylpropan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)c1nc2c(n1C(C(=O)c1ccccc1)C)c(=O)n(c(=O)n2C)C

STL295999
Synonyms: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])c(=O)n(c(=O)n2C)C

STL341240
Synonyms: 1,3-dimethyl-8-(methylamino)-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CNc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STL347528
Synonyms: 1,3-dimethyl-8-(morpholin-4-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3N2CCOCC2)c2ccccc2)n(c(=O)n1C)C

STL339732
Synonyms: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCCc1ccccc1)c(n2)CN1CCOCC1

STL341928
Synonyms: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STL341892
Synonyms: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(CN2CCOCC2)nc2c1c(=O)n(c(=O)n2C)C

STL329486
Synonyms: 1,3-dimethyl-8-(pentylsulfanyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCCCCC)nc2c1c(=O)n(c(=O)n2C)C

STL341966
Synonyms: 1,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c2nc([nH]c2c(=O)n(c1=O)C)CN1CCCCC1

STL362774
Synonyms: 1,3-dimethyl-8-(pyridin-3-ylmethyl)-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1C)cc(n3Cc1cccnc1)c1cccs1

STL347441
Synonyms: 1,3-dimethyl-8-(tetrahydrofuran-2-ylmethyl)-7-{4-[(tetrahydrofuran-2-ylmethyl)amino]phenyl}-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3CC2CCCO2)c2ccc(cc2)NCC2CCCO2)n(c(=O)n1C)C

STL321385
Synonyms: 1,3-dimethyl-8-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc1n2CCN1c1ccccc1

STL344287
Synonyms: 1,3-dimethyl-8-propoxy-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCn1c(OCCC)nc2c1c(=O)n(c(=O)n2C)C

STL343990
Synonyms: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCCCN1Cc1nc2c(n1CCN1CCOCC1)c(=O)n(c(=O)n2C)C

STL343863
Synonyms: 1,3-dimethyl-8-[(4-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Nc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STL340815
Synonyms: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STL340071
Synonyms: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C

STL340044
Synonyms: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C

STL296049
Synonyms: 1,3-dimethyl-8-[(pyridin-2-ylmethyl)amino]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc(c1)C(F)(F)F)NCc1ccccn1

STL347124
Synonyms: 1,3-dimethyl-8-[2-(morpholin-4-yl)ethyl]-7-(4-{[2-(morpholin-4-yl)ethyl]amino}phenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)CCN1CCOCC1)c1ccc(cc1)NCCN1CCOCC1

STL362788
Synonyms: 1,3-dimethyl-8-[2-(morpholin-4-yl)ethyl]-7-(naphthalen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1c2c(nc3n2cc(n3CCN2CCOCC2)c2ccc3c(c2)cccc3)n(c(=O)n1C)C

STL346622
Synonyms: 1,3-dimethyl-8-[3-(morpholin-4-yl)propyl]-7-(thiophen-2-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc1n2cc(n1CCCN1CCOCC1)c1cccs1

STL340920
Synonyms: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc2c1cccc2)SCCN1CCOCC1

STL342735
Synonyms: 1,3-dimethyl-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)C

STL321926
Synonyms: 1,3-dimethyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1c1ccccc1

STL311111
Synonyms: 1,3-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyrazolo[4,3-e]pyridine-4-carboxamide
Smiles: O=C(c1c2CCCc2nc2c1c(C)nn2C)NCC1CCCO1

STL302825
Synonyms: 1,3-dimethyl-N-nitroso-1,3-dihydro-2H-benzimidazol-2-imine
Smiles: O=N/N=c/1\n(C)c2c(n1C)cccc2

STL333895
Synonyms: 1,3-dimethyl-N-[(2-nitrophenyl)sulfanyl]imidazolidin-2-imine
Smiles: CN1CCN(C1=NSc1ccccc1[N+](=O)[O-])C

STL326363
Synonyms: 1,3-dimethyl-N~4~-[(E)-(2-nitrophenyl)methylidene]-N~5~-phenyl-1H-pyrazole-4,5-diamine
Smiles: Cn1nc(c(c1Nc1ccccc1)/N=C/c1ccccc1[N+](=O)[O-])C

STL325461
Synonyms: 1,3-dimethylimidazolidine-2-thione
Smiles: CN1CCN(C1=S)C

STL298363
Synonyms: 1,3-dimethyl[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione
Smiles: O=c1c2c(nc3n2ccs3)n(c(=O)n1C)C

STL321323
Synonyms: 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-ylN-[(benzyloxy)carbonyl]-O-tert-butylthreoninate
Smiles: O=C(NC(C(OC(C)(C)C)C)C(=O)ON1C(=O)C2C(C1=O)C1CC2C=C1)OCc1ccccc1

STL297695
Synonyms: 1,3-dioxo-1H,3H-benzo[de]isochromene-5-sulfonicacid
Smiles: O=C1OC(=O)c2c3c1cc(cc3ccc2)S(=O)(=O)O

STL329431
Synonyms: 1,3-dioxo-2-{4-[(E)-2-phenylethenyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)/C=C/c1ccccc1

STL320960
Synonyms: 1,3-diphenyl-3,6-dihydropyrazolo[4',3':5,6]pyrido[3,4-b]indole
Smiles: c1ccc(cc1)c1nn(c2c1c1c(cn2)[nH]c2c1cccc2)c1ccccc1

STL338256
Synonyms: 1,3-diphenyl-5-(1-{[2-(pyridin-3-yl)piperidin-1-yl]amino}ethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C/C(=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)/NN1CCCCC1c1cccnc1

STL341658
Synonyms: 1,3-diphenyl-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1/C(=C/c2c([nH]c3c2cccc3)c2ccccc2)/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1

STL303479
Synonyms: 1,3-dipropoxy-6H-benzo[c]chromen-6-one
Smiles: CCCOc1cc(OCCC)cc2c1c1ccccc1c(=O)o2

STL298467
Synonyms: 1,3-dithiolan-2-ylidenecyanamide
Smiles: N#CN=C1SCCS1

STL361825
Synonyms: 1,4,5,6-tetrahydrocyclopenta[d]imidazole
Smiles: C1Cc2c(C1)nc[nH]2

STL307785
Synonyms: 1,4,5-trimethyl-1H-tetrazol-4-ium
Smiles: Cn1nn[n+](c1C)C

STL325876
Synonyms: 1,4,5-triphenyl-3-(thiiran-2-ylmethyl)-1,3-dihydro-2H-imidazol-2-one
Smiles: O=c1n(CC2SC2)c(c(n1c1ccccc1)c1ccccc1)c1ccccc1

STL315036
Synonyms: 1,4,6-trimethyl-N-(5-methyl-6-oxo-5,6-dihydropyrido[2,3-b][1,4]benzoxazepin-8-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Smiles: O=C1c2cc(ccc2Oc2c(N1C)cccn2)NC(=O)c1c(C)cc(n(c1=O)C)C

STL323649
Synonyms: 1,4,6-triphenyl-3-[(Z)-phenyldiazenyl]-1,4-dihydro-1,2,4-diazaphosphinine4-sulfide
Smiles: S=P1(C=C(c2ccccc2)N(N=C1/N=N\c1ccccc1)c1ccccc1)c1ccccc1

STL357210
Synonyms: 1,4,7,10-tetraoxa-13-azacyclopentadecane
Smiles: N1CCOCCOCCOCCOCC1

STL349857
Synonyms: 1,4,7,7-tetramethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cn1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2C

STL333287
Synonyms: 1,4,7-trioxa-10,13,16-triazacyclooctadecane
Smiles: N1CCNCCOCCOCCOCCNCC1

STL333618
Synonyms: 1,4,8,11-tetraazacyclotetradecane
Smiles: C1CNCCNCCCNCCNC1

STL349195
Synonyms: 1,4-bis(2-hydroxyethyl)-1,2,3,4-tetrahydro-1,4-ethanoquinoxalinediium
Smiles: OCC[N+]12CC[N+](CC1)(c1c2cccc1)CCO

STL325589
Synonyms: 1,4-bis(2-methyl-5-nitrophenyl)piperazine-2,5-dione
Smiles: O=C1CN(C(=O)CN1c1cc(ccc1C)[N+](=O)[O-])c1cc(ccc1C)[N+](=O)[O-]

STL325843
Synonyms: 1,4-bis(3,4-dichlorophenyl)piperazine-2,5-dione
Smiles: O=C1CN(C(=O)CN1c1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl

STL334478
Synonyms: 1,4-bis(3-chloro-4-methylphenyl)piperazine-2,5-dione
Smiles: O=C1CN(C(=O)CN1c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C

STL326208
Synonyms: 1,4-bis(3-methylphenyl)piperazine-2,5-dione
Smiles: Cc1cccc(c1)N1CC(=O)N(CC1=O)c1cccc(c1)C

STL332825
Synonyms: 1,4-bis(4-butoxyphenyl)piperazine-2,5-dione
Smiles: CCCCOc1ccc(cc1)N1CC(=O)N(CC1=O)c1ccc(cc1)OCCCC

STL343879
Synonyms: 1,4-bis(4-fluorophenyl)-N-propyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCCNC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)F)CCCC3)c1ccc(cc1)F

STL308848
Synonyms: 1,4-bis(4-methoxyphenyl)-1,6-dihydro-1,3,5-triazine-2-thiol
Smiles: COc1ccc(cc1)C1=NCN(C(=N1)S)c1ccc(cc1)OC

STL338373
Synonyms: 1,4-bis(9-ethyl-9H-carbazol-3-yl)piperazine-2,5-dione
Smiles: CCn1c2ccc(cc2c2c1cccc2)N1CC(=O)N(CC1=O)c1ccc2c(c1)c1ccccc1n2CC

STL307858
Synonyms: 1,4-bis(benzyloxy)-3,3,6,6-tetramethylpiperazine-2,5-dione
Smiles: O=C1N(OCc2ccccc2)C(C)(C)C(=O)N(C1(C)C)OCc1ccccc1

STL307860
Synonyms: 1,4-bis(benzyloxy)octahydroquinoxaline-2,3-dione
Smiles: O=C1N(OCc2ccccc2)C2CCCCC2N(C1=O)OCc1ccccc1

STL333928
Synonyms: 1,4-bis(tert-butylsulfanyl)benzene
Smiles: CC(Sc1ccc(cc1)SC(C)(C)C)(C)C

STL326502
Synonyms: 1,4-bis[(2,3-dimethylphenyl)amino]anthracene-9,10-dione
Smiles: O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1cccc(c1C)C)Nc1cccc(c1C)C

STL323065
Synonyms: 1,4-bis[(2-chlorophenyl)(phenyl)methyl]piperazine
Smiles: Clc1ccccc1C(c1ccccc1)N1CCN(CC1)C(c1ccccc1Cl)c1ccccc1

STL326031
Synonyms: 1,4-bis[2-(2,4-dichlorophenyl)-2-oxoethyl]-4H-1,2,4-triazol-1-ium
Smiles: Clc1ccc(c(c1)Cl)C(=O)Cn1cn[n+](c1)CC(=O)c1ccc(cc1Cl)Cl

STL356222
Synonyms: 1,4-bis[2-(3-chlorophenoxy)ethyl]piperazine
Smiles: Clc1cccc(c1)OCCN1CCN(CC1)CCOc1cccc(c1)Cl

STL325194
Synonyms: 1,4-bis[2-(4-nitrophenyl)-2-oxoethyl]-4H-1,2,4-triazol-1-ium
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Cn1cn[n+](c1)CC(=O)c1ccc(cc1)[N+](=O)[O-]

STL327032
Synonyms: 1,4-bis[2-(decyloxy)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octane
Smiles: CCCCCCCCCCOC(=O)C[N+]12CC[N+](CC1)(CC2)CC(=O)OCCCCCCCCCC

STL325507
Synonyms: 1,4-bis[2-(decyloxy)-2-oxoethyl]-1,4-dimethylpiperazinediium
Smiles: CCCCCCCCCCOC(=O)C[N+]1(C)CC[N+](CC1)(C)CC(=O)OCCCCCCCCCC

STL353490
Synonyms: 1,4-bis[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
Smiles: O=C1CN(C(=O)CN1c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

STL331572
Synonyms: 1,4-bis[4-(benzyloxy)but-2-yn-1-yl]piperazine
Smiles: O(Cc1ccccc1)CC#CCN1CCN(CC1)CC#CCOCc1ccccc1

STL332279
Synonyms: 1,4-bis{4-[2-(benzyloxy)ethoxy]but-2-yn-1-yl}piperazine
Smiles: O(CC#CCN1CCN(CC1)CC#CCOCCOCc1ccccc1)CCOCc1ccccc1

STL310583
Synonyms: 1,4-di(propan-2-yl)-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridine-3,7-diol
Smiles: Oc1ccc2c(c1)oc1c2nc2c(c1C(C)C)c(nn2C(C)C)O

STL326679
Synonyms: 1,4-di-tert-butyl-7,7-dichlorobicyclo[4.1.0]hept-4-ene-2,3-dione
Smiles: O=C1C(=CC2C(C1=O)(C(C)(C)C)C2(Cl)Cl)C(C)(C)C

STL325662
Synonyms: 1,4-di-tert-butylnaphthalen-2-ol
Smiles: Oc1cc(c2c(c1C(C)(C)C)cccc2)C(C)(C)C

STL335595
Synonyms: 1,4-diacetyl-3,6-dinitrotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: [O-][N+](=O)N1C(=O)N(C2C1N(C(=O)C)C(=O)N2[N+](=O)[O-])C(=O)C

STL353503
Synonyms: 1,4-diazabicyclo[3.2.2]nonan-3-one
Smiles: O=C1CN2CCC(N1)CC2

STL321212
Synonyms: 1,4-dibenzyl-1,4-bis(oxiran-2-ylmethyl)piperazinediium
Smiles: c1ccc(cc1)C[N+]1(CC[N+](CC1)(CC1CO1)Cc1ccccc1)CC1CO1

STL321376
Synonyms: 1,4-dicyclohexyl-2,5-dimethylbenzene
Smiles: Cc1cc(C2CCCCC2)c(cc1C1CCCCC1)C

STL307857
Synonyms: 1,4-diethoxy-1,4-dihydroquinoxaline-2,3-dione
Smiles: CCOn1c(=O)c(=O)n(c2c1cccc2)OCC

STL298408
Synonyms: 1,4-dihydroxy-1,4-dihydroquinoxaline-2,3-dione
Smiles: O=c1n(O)c2ccccc2n(c1=O)O

STL321942
Synonyms: 1,4-dihydroxyoctahydroquinoxaline-2,3-dione
Smiles: ON1C2CCCCC2N(C(=O)C1=O)O

STL298410
Synonyms: 1,4-dimethoxy-1,4-dihydroquinoxaline-2,3-dione
Smiles: COn1c2ccccc2n(c(=O)c1=O)OC

STL321133
Synonyms: 1,4-dimethoxyoctahydroquinoxaline-2,3-dione
Smiles: CON1C2CCCCC2N(C(=O)C1=O)OC

STL320812
Synonyms: 1,4-dimethyl-1H-[1,2,3]triazolo[4,5-c]pyridine
Smiles: Cn1nnc2c1ccnc2C

STL325889
Synonyms: 1,4-dimethyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-4-ium
Smiles: C[n+]1cccc2c1nc(n2C)C(F)(F)F

STL357266
Synonyms: 1,4-dimethyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Cn1c(=O)c2c3CCCCc3sc2n2c1nnc2C

STL305221
Synonyms: 1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-5-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCc2ccccc2)c(n(c1=O)C)N1CCN(CC1)C

STL321671
Synonyms: 1,4-dinitrotetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: O=C1NC2C(N1[N+](=O)[O-])NC(=O)N2[N+](=O)[O-]

STL343901
Synonyms: 1,4-dioxa-8-azaspiro[4.5]dec-8-yl[3-methyl-1-(2-methylphenyl)-1H-thieno[2,3-c]pyrazol-5-yl]methanone
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1C)N1CCC2(CC1)OCCO2

STL321328
Synonyms: 1,4-dioxane-2,3-diylbis(phenoxyacetate)
Smiles: O=C(OC1OCCOC1OC(=O)COc1ccccc1)COc1ccccc1

STL348749
Synonyms: 1,4-dioxo-1,4-dihydronaphthalen-2-ylacetate
Smiles: CC(=O)OC1=CC(=O)c2c(C1=O)cccc2

STL321078
Synonyms: 1,4-diphenyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: O=C1CCCC2=C1C(CC(=O)N2c1ccccc1)c1ccccc1

STL321253
Synonyms: 1,5,5-trimethyl-3-(pyridin-2-yl)-4,5-dihydro-3H-pyrazolo[4,3-a]phenazine
Smiles: Cc1nn(c2c1c1nc3ccccc3nc1C(C2)(C)C)c1ccccn1

STL298334
Synonyms: 1,5,5-trimethyl-4-phenyl-2,5-dihydro-1H-imidazole3-oxide
Smiles: CN1C[N+](=C(C1(C)C)c1ccccc1)[O-]

STL347835
Synonyms: 1,5-anhydro-2,4-dideoxy-4-[(dimethylamino)methyl]-1,1-dimethyl-3-O-{[4-(2-methylpropoxy)phenyl]carbonyl}pentitol
Smiles: CC(COc1ccc(cc1)C(=O)OC1CC(C)(C)OCC1CN(C)C)C

STL325743
Synonyms: 1,5-dichloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene
Smiles: Clc1cc(Cl)c(cc1S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

STL324556
Synonyms: 1,5-dicyano-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-2-thiolate
Smiles: N#CC1C(=O)NC(=C(C21CCN(CC2)C)C#N)[S-]

STL297937
Synonyms: 1,5-dimethyl-2-phenyl-4-{[(E)-pyridin-3-ylmethylidene]amino}-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1n(C)n(c(=O)c1/N=C/c1cccnc1)c1ccccc1

STL320863
Synonyms: 1,5-dimethyl-3,4-dinitro-1H-pyrazole
Smiles: [O-][N+](=O)c1c(nn(c1C)C)[N+](=O)[O-]

STL322142
Synonyms: 1,5-dimethyl-3,7-bis(phenylcarbonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
Smiles: O=C(c1ccccc1)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)c1ccccc1

STL325600
Synonyms: 1,5-dimethyl-3,7-bis[(4-methylphenyl)sulfonyl]-3,7-diazabicyclo[3.3.1]nonan-9-ol
Smiles: OC1C2(C)CN(CC1(C)CN(C2)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C

STL321178
Synonyms: 1,5-dimethyl-4,6-diphenyl-3-(phenylcarbonyl)-2,3,4,5-tetrahydropyridinium
Smiles: O=C(C1C[N+](=C(C(C1c1ccccc1)C)c1ccccc1)C)c1ccccc1

STL333809
Synonyms: 1,5-dimethyl-4-nitro-1H-pyrazol-3-amine
Smiles: [O-][N+](=O)c1c(N)nn(c1C)C

STL322093
Synonyms: 1,5-dimethyl-4-nitro-3-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-1H-pyrazole
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/Nc1nn(c(c1[N+](=O)[O-])C)C

STL321544
Synonyms: 1,5-dimethyl-4-[(E)-(4-methylpiperazin-1-yl)diazenyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CN1CCN(CC1)/N=N/c1c(C)n(n(c1=O)c1ccccc1)C

STL326617
Synonyms: 1,5-dimethyl-4-[(E)-morpholin-4-yldiazenyl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1c(/N=N/N2CCOCC2)c(=O)n(n1C)c1ccccc1

STL321842
Synonyms: 1,5-dimethyl-4-{[(E)-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1[nH]n(c(=O)c1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1

STL321551
Synonyms: 1,5-dimethyl-N-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazol-4-amine
Smiles: Cn1ncc(c1C)/N=C/C=C/c1ccccc1

STL361916
Synonyms: 1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane
Smiles: [O-][N+](=O)C12CNCC(C2)(CNC1)[N+](=O)[O-]

STL345756
Synonyms: 1,5-dioxaspiro[5.6]dodecane-2,4-dione
Smiles: O=C1CC(=O)OC2(O1)CCCCCC2

STL349694
Synonyms: 1,5-dioxo-9-oxa-2,4-diazaspiro[5.5]undec-2-en-3-olate
Smiles: [O-]C1=NC(=O)C2(C(=O)N1)CCOCC2

STL333954
Synonyms: 1,5-diphenyl-3-{[3-(trifluoromethyl)phenyl]amino}-1,5-dihydro-2H-pyrrol-2-one
Smiles: O=C1C(=CC(N1c1ccccc1)c1ccccc1)Nc1cccc(c1)C(F)(F)F

STL344732
Synonyms: 1,5-diphenyl-N'-(phenylcarbonyl)-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1cc(n(n1)c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1

STL321780
Synonyms: 1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione
Smiles: COc1ccc(cc1)C(=O)C(CN1CCCCC1)CCC(C(=O)c1ccc(cc1)OC)CN1CCCCC1

STL353342
Synonyms: 1,6-diacetyl-3,4-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CC(=O)N1C(=O)N(C2C1N(C(=O)C)C(=O)N2C)C

STL353344
Synonyms: 1,6-diethyl-3,4-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
Smiles: CCN1C2N(CC)C(=O)N(C2N(C1=O)C)C

STL318360
Synonyms: 1,6-dimethyl-N-(5-methyl-6-oxo-5,6-dihydropyrido[2,3-b][1,4]benzoxazepin-8-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Smiles: O=C1c2cc(ccc2Oc2c(N1C)cccn2)NC(=O)c1ccc(n(c1=O)C)C

STL321523
Synonyms: 1,7,7-trimethyl-4-(2-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: CN1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccccc1[N+](=O)[O-]

STL333470
Synonyms: 1,7,7-trimethyl-4-(2-phenylethyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=c1c2c3CC(C)(C)OCc3sc2n2c(n1CCc1ccccc1)nnc2C

STL321711
Synonyms: 1,7,7-trimethyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Smiles: CN1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-]

STL328537
Synonyms: 1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-aminium
Smiles: CC12CCC(C2(C)C)CC1[NH2+]c1ccccc1

STL345789
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl3-(1H-imidazol-1-yl)propanoate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CCn1cncc1

STL328450
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OC1CC2C(C1(C)CC2)(C)C

STL327699
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-ylazepan-1-ylacetate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CN1CCCCCC1

STL328040
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-ylN-cyclohexyl-N-[(2-methylphenyl)carbamoyl]glycinate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CN(C(=O)Nc1ccccc1C)C1CCCCC1

STL328898
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-ylN-cyclohexyl-N-[(4-methylphenyl)carbamoyl]glycinate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CN(C(=O)Nc1ccc(cc1)C)C1CCCCC1

STL327697
Synonyms: 1,7,7-trimethylbicyclo[2.2.1]hept-2-ylN-phenylglycinate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CNc1ccccc1

STL350598
Synonyms: 1,7,8-trimethyl-3-[2-(morpholin-4-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(CCN2CCOCC2)c(=O)c2c(n1C)nc1n2cc(n1C)C

STL323525
Synonyms: 1,7-dibenzyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STL323987
Synonyms: 1,7-dibenzyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STL322188
Synonyms: 1,7-dibenzyl-3-methyl-8-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=N\Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)/C=C/c1ccccc1

STL324283
Synonyms: 1,7-dibenzyl-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1

STL334056
Synonyms: 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1Cc1ccccc1)Cc1ccccc1)N/N=C/c1ccccc1

STL322851
Synonyms: 1,7-dibromo-3,3,4-trimethylbicyclo[2.2.1]heptan-2-one
Smiles: BrC1C2(Br)CCC1(C)C(C2=O)(C)C

STL345982
Synonyms: 1,7-dimethyl-3-(2-methylpropyl)-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccccc1)C

STL344466
Synonyms: 1,7-dimethyl-3-(3-methylbenzyl)-9-(4-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STL350198
Synonyms: 1,7-dimethyl-3-(3-phenylpropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1[nH]c2n(c1)c1c(n2)n(C)c(=O)n(c1=O)CCCc1ccccc1

STL342979
Synonyms: 1,7-dimethyl-3-pentyl-9-phenyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccccc1

STL345598
Synonyms: 1,7-dimethyl-9-(4-methylphenyl)-3-(2-phenylethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)C)c2n(C1)c1c(n2)n(C)c(=O)n(c1=O)CCc1ccccc1

STL344413
Synonyms: 1,7-dimethyl-9-(4-methylphenyl)-3-(naphthalen-1-ylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Cc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc2c1cccc2

STL357209
Synonyms: 1,7-dioxa-4,10-diazacyclododecane
Smiles: C1CNCCOCCNCCO1

STL321192
Synonyms: 1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ylmethyl)octane-1,8-dione
Smiles: COc1ccc(cc1)C(=O)C(CN1CCCCC1)CCCCC(C(=O)c1ccc(cc1)OC)CN1CCCCC1

STL322217
Synonyms: 1,8-bis(4-methoxyphenyl)-2,7-di(piperidin-1-yl)octane-1,8-dione
Smiles: COc1ccc(cc1)C(=O)C(N1CCCCC1)CCCCC(C(=O)c1ccc(cc1)OC)N1CCCCC1

STL334255
Synonyms: 1,8-bis(diazo)octane-2,7-dione
Smiles: O=C(C=[N+]=[N-])CCCCC(=O)C=[N+]=[N-]

STL328523
Synonyms: 1,8-dibenzyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-ol
Smiles: OC1C2(CN3CC1(CN(C2)CC3)Cc1ccccc1)Cc1ccccc1

STL298097
Synonyms: 1,8-diphenylbis[1,2,4]triazolo[4,3-b:3',4'-f]pyridazine
Smiles: c1ccc(cc1)c1nnc2n1n1c(cc2)nnc1c1ccccc1

STL305037
Synonyms: 1,8-naphthyridin-2-ol
Smiles: Oc1ccc2c(n1)nccc2

STL325043
Synonyms: 1,9-bis(4-fluorophenyl)-2,5,8-trimethyl-2,3,4,5,6,7,8,9-octahydro-1H-pyrrolo[3,2-c:4,5-c']dipyridine
Smiles: CN1CCc2c(C1c1ccc(cc1)F)c1C(N(C)CCc1n2C)c1ccc(cc1)F

STL322353
Synonyms: 1,9-bis(4-fluorophenyl)-2,8-bis(morpholin-4-ylmethyl)nonane-1,9-dione
Smiles: O=C(c1ccc(cc1)F)C(CN1CCOCC1)CCCCCC(C(=O)c1ccc(cc1)F)CN1CCOCC1

STL330630
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(1H-1,2,4-triazol-3-yl)urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1n[nH]cn1

STL329735
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(2-hydroxyphenyl)urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1ccccc1O

STL329781
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(2-methylquinolin-5-yl)urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1cccc2c1ccc(n2)C

STL327835
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)urea
Smiles: COc1cc(NC(=O)NC(C(F)(F)F)(C(F)(F)F)C)cc(c1OC)OC

STL327563
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(3-methylpyridin-2-yl)urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1ncccc1C

STL329832
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)urea
Smiles: O=C(Nc1ccc(cc1)O)NC(C(F)(F)F)(C(F)(F)F)C

STL327735
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)C

STL332582
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(4-phenoxyphenyl)urea
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)NC(C(F)(F)F)(C(F)(F)F)C

STL328087
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyridin-2-ylurea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1ccccn1

STL327965
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyridin-3-ylurea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1cccnc1

STL330050
Synonyms: 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)NCCCn1cncc1

STL329938
Synonyms: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(1,3-thiazol-2-yl)urea
Smiles: O=C(NC(C(F)(F)F)C(F)(F)F)Nc1nccs1

STL330794
Synonyms: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(3-methylpyridin-2-yl)urea
Smiles: O=C(Nc1ncccc1C)NC(C(F)(F)F)C(F)(F)F

STL327994
Synonyms: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-pyridin-2-ylurea
Smiles: O=C(NC(C(F)(F)F)C(F)(F)F)Nc1ccccn1

STL329734
Synonyms: 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: O=C(NC(C(F)(F)F)C(F)(F)F)Nc1nnc(s1)C(F)(F)F

STL361085
Synonyms: 1-(1,1-dichloro-2,2,7b-trimethyl-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl)ethanone
Smiles: CC(=O)N1c2ccccc2C2(C(C1(C)C)C2(Cl)Cl)C

STL347244
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-1,3,3-trimethylurea
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)N(C)C

STL347211
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methyl-3-phenylurea
Smiles: O=C(N(C1CCS(=O)(=O)C1)C)Nc1ccccc1

STL324274
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methylurea
Smiles: NC(=O)N(C1CCS(=O)(=O)C1)C

STL313510
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-(5-methylpyridin-2-yl)-1H-pyrazole-4-carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1

STL310097
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-[(2E)-3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene]-1H-pyrazole-4-carboxamide
Smiles: O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)/N=c/1\[nH]c2c(s1)CCC2

STL310255
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-[(2E)-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]-1H-pyrazole-4-carboxamide
Smiles: Cc1nn(c(c1C(=O)/N=c\1/sc2c([nH]1)CCCC2)C)C1CCS(=O)(=O)C1

STL312705
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-[(2Z)-1,3-thiazol-2(3H)-ylidene]-1H-pyrazole-4-carboxamide
Smiles: O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)/N=c/1\scc[nH]1

STL315744
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-[2-(phenylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
Smiles: O=C(c1c(C)nn(c1C)C1CCS(=O)(=O)C1)NCCSc1ccccc1

STL338043
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
Smiles: COc1ccccc1NC(=O)NC1CCS(=O)(=O)C1

STL346862
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methylphenyl)urea
Smiles: O=C(Nc1cccc(c1)C)NC1CCS(=O)(=O)C1

STL323278
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)urea
Smiles: O=C(Nc1ccc(cc1)C)NC1CCS(=O)(=O)C1

STL312621
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1cnn(c1)C)c(nn2C1CCS(=O)(=O)C1)C

STL316219
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-4-(2-methylpropyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: CC(CC1SCC(=Nc2c1c(C)nn2C1CCS(=O)(=O)C1)O)C

STL309721
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-4-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: CC(C1SCC(=Nc2c1c(C)nn2C1CCS(=O)(=O)C1)O)C

STL312698
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1cccnc1)c(nn2C1CCS(=O)(=O)C1)C

STL318077
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-4-(trifluoromethyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)C(F)(F)F)c(nn2C1CCS(=O)(=O)C1)C

STL337926
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-naphthalen-2-ylthiourea
Smiles: S=C(Nc1ccc2c(c1)cccc2)NC1CCS(=O)(=O)C1

STL324598
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylthiourea
Smiles: S=C(Nc1ccccc1)NC1CCS(=O)(=O)C1

STL324626
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-prop-2-en-1-ylurea
Smiles: C=CCNC(=O)NC1CCS(=O)(=O)C1

STL309463
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(2-hydroxypyridin-3-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1cccnc1O)c(nn2C1CCS(=O)(=O)C1)C

STL309787
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-methoxyphenyl)-N-(2-oxo-2-phenylethyl)-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1)c1cc(nn1C1CCS(=O)(=O)C1)C(=O)NCC(=O)c1ccccc1

STL316768
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(4-methoxyphenyl)-N-[2-(pyridin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
Smiles: COc1ccc(cc1)c1cc(nn1C1CCS(=O)(=O)C1)C(=O)NCCc1ccncc1

STL319499
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(1-methyl-1H-indol-4-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Smiles: O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)Nc1cccc2c1ccn2C

STL314093
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
Smiles: CCN1CCCC1CNC(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1

STL316728
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(2E)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]-3,5-dimethyl-1H-pyrazole-4-carboxamide
Smiles: Cc1nn(c(c1C(=O)/N=c\1/sc2c([nH]1)CCCCC2)C)C1CCS(=O)(=O)C1

STL318572
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[(2E)-4-ethyl-5-methyl-1,3-thiazol-2(3H)-ylidene]-3,5-dimethyl-1H-pyrazole-4-carboxamide
Smiles: CCc1[nH]/c(=N\C(=O)c2c(C)nn(c2C)C2CCS(=O)(=O)C2)/sc1C

STL352201
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[2-(5-methoxy-1H-indol-1-yl)ethyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Smiles: COc1ccc2c(c1)ccn2CCNC(=O)C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1

STL315499
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[3-(methylsulfanyl)phenyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Smiles: CSc1cccc(c1)NC(=O)C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1

STL323561
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)piperidine
Smiles: O=S1(=O)CCC(C1)N1CCCCC1

STL324228
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)urea
Smiles: NC(=O)NC1CCS(=O)(=O)C1

STL329194
Synonyms: 1-(1,2,4-trimethylcyclohexyl)pentan-3-ol
Smiles: CCC(CCC1(C)CCC(CC1C)C)O

STL343733
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CC2(CC1CC(C2)(C)C)C

STL346144
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: Cc1nc(SCC(=O)c2c(C)n(c3c2cccc3)C)c2c(n1)c1ccccc1o2

STL343400
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
Smiles: Fc1ccccc1N1CCN(CC1)CC(c1c2ccccc2n(c1C)C)O

STL294158
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
Smiles: Fc1ccccc1N1CCN(CC1)CC(=O)c1c2ccccc2n(c1C)C

STL344013
Synonyms: 1-(1,2-dimethyl-1H-indol-3-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone
Smiles: O=C(c1c(C)n(c2c1cccc2)C)CN1CCN(CC1)C(=O)c1ccco1

STL305041
Synonyms: 1-(1,2-dimethyl-1H-indol-5-yl)methanamine
Smiles: NCc1ccc2c(c1)cc(n2C)C

STL343009
Synonyms: 1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: O=C(N1CCc2c(C1)c1ccccc1[nH]2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STL333258
Synonyms: 1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Smiles: O=C(C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)N1CCc2c(C1)c1ccccc1[nH]2

STL349606
Synonyms: 1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butan-1-one
Smiles: CCCC(=O)N1CCc2c(C1)c1ccccc1[nH]2

STL318043
Synonyms: 1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)-2-(2,4,5-trifluorophenyl)ethanone
Smiles: O=C(N1CCc2c(C1)[nH]c1c2cccc1)Cc1cc(F)c(cc1F)F

STL348983
Synonyms: 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)butane-1,3-dione
Smiles: CC(=O)CC(=O)c1c(C)nn(c1C)C

STL343798
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(2-chlorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: Clc1ccccc1CN1CCC2(C(C1c1ccc3c(c1)OCO3)CCCC2)O

STL343124
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(2-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: Fc1ccccc1CN1CCC2(C(C1c1ccc3c(c1)OCO3)CCCC2)O

STL344536
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(3-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: Fc1cccc(c1)CN1CCC2(C(C1c1ccc3c(c1)OCO3)CCCC2)O

STL327585
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Smiles: Clc1ccc(cc1)C1(O)CN2C(=[N+]1c1ccc3c(c1)OCO3)CCCCC2

STL345527
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: Fc1ccc(cc1)CN1CCC2(C(C1c1ccc3c(c1)OCO3)CCCC2)O

STL338481
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Fc1ccc(cc1)c1nc2c(n1c1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL337846
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: COc1ccc(cc1)c1nc2c(n1c1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL327301
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(biphenyl-4-yl)-2-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Smiles: OC1(CN2C(=[N+]1c1ccc3c(c1)OCO3)CCCCC2)c1ccc(cc1)c1ccccc1

STL337421
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: c1coc(c1)c1nc2c(n1c1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL337378
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: c1csc(c1)c1nc2c(n1c1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL308060
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone
Smiles: Clc1ccc(cc1)CSc1nnc(s1)SCC(=O)c1ccc2c(c1)OCO2

STL338069
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-phenyl-1H-imidazo[4,5-b]quinoxaline
Smiles: c1ccc(cc1)c1nc2c(n1c1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL348748
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: O=C(c1ccc2c(c1)OCO2)CSc1ncnc2c1cnn2Cc1ccccc1

STL336558
Synonyms: 1-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1c1cccnc1

STL298143
Synonyms: 1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-one
Smiles: CCN(CCC(=O)c1ccc2c(c1)OCO2)CC

STL329150
Synonyms: 1-(1,3-benzodioxol-5-yl)-3-(piperidin-1-yl)propan-1-one
Smiles: O=C(c1ccc2c(c1)OCO2)CCN1CCCCC1

STL351016
Synonyms: 1-(1,3-benzodioxol-5-yl)-3-ethyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione5,5-dioxide
Smiles: CCN1C2CS(=O)(=O)CC2N(C1=S)c1ccc2c(c1)OCO2

STL327408
Synonyms: 1-(1,3-benzodioxol-5-ylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)Nc1ccc2c(c1)OCO2

STL356081
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-methylthiourea
Smiles: CNC(=S)N(C1CC(=O)N(C1=O)c1ccccc1)Cc1ccc2c(c1)OCO2

STL338945
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Smiles: Fc1ccc(cc1)N(C(=O)NC(C(F)(F)F)(C(F)(F)F)C)Cc1ccc2c(c1)OCO2

STL330426
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Smiles: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)N(c1ccc(cc1)F)Cc1ccc2c(c1)OCO2

STL356079
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
Smiles: Clc1cccc(c1)N1C(=O)CC(C1=O)N(C(=S)Nc1ccccc1)Cc1ccc2c(c1)OCO2

STL356077
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylthiourea
Smiles: CNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccc2c(c1)OCO2

STL329515
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-phenylthiourea
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=S)Nc1ccccc1)Cc1ccc2c(c1)OCO2

STL338532
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-2-(thiophen-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: c1csc(c1)c1nc2c(n1Cc1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL338419
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-1H-imidazo[4,5-b]quinoxaline
Smiles: c1ccc(cc1)c1nc2c(n1Cc1ccc3c(c1)OCO3)nc1c(n2)cccc1

STL337955
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-3-naphthalen-1-ylurea
Smiles: O=C(Nc1cccc2c1cccc2)NCc1ccc2c(c1)OCO2

STL356627
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,3-benzodioxol-5-ylmethyl)amino]pyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2

STL337665
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
Smiles: O=C(NC(c1cccc(c1)C(=C)C)(C)C)NCc1ccc2c(c1)OCO2

STL342376
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-3-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}thiourea
Smiles: COc1ccc(cc1)C1=NOC(C1)CNC(=S)NCc1ccc2c(c1)OCO2

STL300159
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-3a,7a-dihydro-1H-indole-2,3-dione
Smiles: O=C1C2C=CC=CC2N(C1=O)Cc1ccc2c(c1)OCO2

STL328340
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-difluorobenzyl)piperazine
Smiles: Fc1cc(ccc1F)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STL350276
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-6-methyl-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyridin-2(1H)-one
Smiles: Oc1cc(C)n(c(=O)c1C1OC(=O)c2c1cccc2)Cc1ccc2c(c1)OCO2

STL329229
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-2-methyl-3-phenylprop-2-en-1-yl]piperazine
Smiles: C/C(=C\c1ccccc1)/CN1CCN(CC1)Cc1ccc2c(c1)OCO2

STL329808
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
Smiles: O=C(NC(C(F)(F)F)C(F)(F)F)Nc1nc2c(s1)cccc2

STL327263
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)propan-2-yl]urea
Smiles: Fc1ccc(cc1)OC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1nc2c(s1)cccc2

STL330269
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Smiles: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1nc2c(s1)cccc2

STL361518
Synonyms: 1-(1,3-benzothiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Smiles: Fc1ccc(cc1)C1CC(=O)c2c(C1)n(nc2C)c1nc2c(s1)cccc2

STL323405
Synonyms: 1-(1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1c1nc2c(s1)cccc2

STL315480
Synonyms: 1-(1,3-benzothiazol-2-ylmethyl)-N-(2H-tetrazol-5-yl)cyclopentanecarboxamide
Smiles: O=C(C1(CCCC1)Cc1nc2c(s1)cccc2)Nc1n[nH]nn1

STL328835
Synonyms: 1-(1,3-dimethyl-1H-perimidin-2(3H)-ylidene)propan-1-ol
Smiles: CC/C(=c\1/n(C)c2cccc3c2c(n1C)ccc3)/O

STL337022
Synonyms: 1-(1,3-dimethyl-2,3-dihydro-1H-benzimidazol-2-yl)naphthalen-2-ol
Smiles: Oc1ccc2c(c1C1N(C)c3c(N1C)cccc3)cccc2

STL328972
Synonyms: 1-(1,3-dioxepan-2-yl)-N-(furan-2-ylmethyl)methanamine
Smiles: C1CCOC(OC1)CNCc1ccco1

STL330511
Synonyms: 1-(1,3-thiazol-2-yl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
Smiles: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1nccs1

STL335161
Synonyms: 1-(1,4,7-trioxa-10-azacyclododecan-10-yl)ethanone
Smiles: CC(=O)N1CCOCCOCCOCC1

STL300970
Synonyms: 1-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)-1-methylpiperidinium
Smiles: C[N+]1(CCCCC1)CC1COC2(O1)CCCCC2

STL300965
Synonyms: 1-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)-1-methylpyrrolidinium
Smiles: C[N+]1(CCCC1)CC1COC2(O1)CCCCC2

STL329883
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
Smiles: O=C(NC(C(F)(F)F)(C(F)(F)F)C)Nc1c(C)n(n(c1=O)c1ccccc1)C

STL330658
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethyl)urea
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)NCC(F)(F)F

STL320694
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methylphenyl)urea
Smiles: O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)Nc1cccc(c1)C

STL334413
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylthiourea
Smiles: S=C(NC12CC3CC(C2)CC(C1)C3)Nc1c(C)n(n(c1=O)c1ccccc1)C

STL302061
Synonyms: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylicacid
Smiles: OC(=O)C1CC(=O)N(C1)c1c(C)n(n(c1=O)c1ccccc1)C

STL322498
Synonyms: 1-(1-amino-3a,6a-dicyano-6-methyl-3-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-yl)-N-(3-chlorophenyl)-2,2-dimethylhydrazinecarboxamide
Smiles: N#CC12C(=O)N=C(C2(C#N)C(CC1N(C(=O)Nc1cccc(c1)Cl)N(C)C)C)N

STL327008
Synonyms: 1-(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
Smiles: CCc1nc2sc(c(c2c2c1CCCC2)N)C(=O)C

STL346115
Synonyms: 1-(1-benzofuran-2-yl)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanone
Smiles: O=C(c1oc2c(c1)cccc2)CSc1ncnc2c1oc1c2cccc1

STL344427
Synonyms: 1-(1-benzofuran-2-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: Cc1nc(SCC(=O)c2oc3c(c2)cccc3)c2c(n1)c1ccccc1o2

STL364021
Synonyms: 1-(1-benzofuran-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
Smiles: O=C(c1cc2c(o1)cccc2)CSc1nnc(o1)c1cccnc1

STL336625
Synonyms: 1-(1-benzofuran-2-ylmethyl)piperidine
Smiles: C1CCN(CC1)Cc1cc2c(o1)cccc2

STL325175
Synonyms: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-(pyridin-2-yl)piperazine
Smiles: [O-][N+](=O)c1nc(n(c1N1CCN(CC1)c1ccccn1)Cc1ccccc1)C

STL325277
Synonyms: 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-methylpiperazine
Smiles: CN1CCN(CC1)c1c(nc(n1Cc1ccccc1)C)[N+](=O)[O-]

STL349573
Synonyms: 1-(1-benzyl-3,5,5-trimethyl-2-oxoimidazolidin-4-yl)-1-hydroxy-3-methylurea
Smiles: CNC(=O)N(C1N(C)C(=O)N(C1(C)C)Cc1ccccc1)O

STL326739
Synonyms: 1-(1-benzyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylurea
Smiles: O=C(N(C1N(c2ccccc2)C(=O)N(C1(C)C)Cc1ccccc1)O)Nc1ccccc1

STL330547
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethanone
Smiles: COc1ccc2c(c1)c(C(=O)CNC1=NCCS1)c(n2Cc1ccccc1)C

STL336056
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-chloroethanone
Smiles: ClCC(=O)c1c(C)n(c2c1cc(OC)cc2)Cc1ccccc1

STL327389
Synonyms: 1-(1-benzyl-5-nitro-1H-benzimidazol-2-yl)ethanol
Smiles: CC(c1nc2c(n1Cc1ccccc1)ccc(c2)[N+](=O)[O-])O

STL322006
Synonyms: 1-(1-benzylpiperidin-4-yl)ethanone
Smiles: CC(=O)C1CCN(CC1)Cc1ccccc1

STL321859
Synonyms: 1-(1-benzylpiperidin-4-yl)pentan-1-one
Smiles: CCCCC(=O)C1CCN(CC1)Cc1ccccc1

STL321869
Synonyms: 1-(1-benzylpiperidin-4-yl)propan-1-one
Smiles: CCC(=O)C1CCN(CC1)Cc1ccccc1

STL325905
Synonyms: 1-(1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylurea
Smiles: O=C(N(C1N(c2ccccc2)C(=O)N(C1(C)C)C1CCCCC1)O)Nc1ccccc1

STL320819
Synonyms: 1-(1-cyclopentyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylurea
Smiles: O=C(N(C1N(c2ccccc2)C(=O)N(C1(C)C)C1CCCC1)O)Nc1ccccc1

STL303344
Synonyms: 1-(1-cyclopropylethyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-1-phenylurea
Smiles: O=C(N(C(C1CC1)C)c1ccccc1)NC1CCS(=O)(=O)C1

STL352058
Synonyms: 1-(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
Smiles: CCN1CCCc2c1ccc(c2)CN

STL355172
Synonyms: 1-(1-ethylcyclopentyl)-4-[(2-hydroxyethyl)(propan-2-yl)amino]-1-phenylbut-2-yn-1-ol
Smiles: OCCN(C(C)C)CC#CC(C1(CC)CCCC1)(c1ccccc1)O

STL327868
Synonyms: 1-(1-ethylcyclopentyl)-4-[ethyl(2-hydroxyethyl)amino]-1-phenylbut-2-yn-1-ol
Smiles: OCCN(CC#CC(C1(CC)CCCC1)(c1ccccc1)O)CC

STL326249
Synonyms: 1-(1-heptyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl)-1-hydroxy-3-phenylurea
Smiles: CCCCCCCN1C(=O)N(C(C1(C)C)N(C(=O)Nc1ccccc1)O)c1ccccc1

STL363687
Synonyms: 1-(1-hydroxy-4-methyl-2-phenyl-1H-imidazol-5-yl)ethanone
Smiles: CC(=O)c1c(C)nc(n1O)c1ccccc1

STL328249
Synonyms: 1-(1-methoxy-1-oxopent-4-en-2-yl)-1-(prop-2-en-1-yl)piperidinium
Smiles: C=CCC([N+]1(CC=C)CCCCC1)C(=O)OC

STL302100
Synonyms: 1-(1-methyl-1H-indol-3-yl)methanamine
Smiles: NCc1cn(c2c1cccc2)C

STL350713
Synonyms: 1-(1-methyl-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazol-5-yl)-3-propan-2-ylurea
Smiles: CC(NC(=O)Nc1ccc2c(c1)nc(n2C)CSc1nccc(n1)C)C

STL362878
Synonyms: 1-(1-methyl-3,6-diazatricyclo[4.3.1.1~3,8~]undec-9-yl)-3-phenylthiourea
Smiles: S=C(NC1C2CN3CC1(C)CN(C2)CC3)Nc1ccccc1

STL321460
Synonyms: 1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
Smiles: Cn1ncc(c1N1CCCCC1)[N+](=O)[O-]

STL322829
Synonyms: 1-(1-nonyl-1H-benzimidazol-2-yl)ethanol
Smiles: CCCCCCCCCn1c(nc2c1cccc2)C(O)C

STL327658
Synonyms: 1-(1-phenylethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: CC(n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1)c1ccccc1

STL320814
Synonyms: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)urea
Smiles: NC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2

STL300917
Synonyms: 1-(13-hydroxytridecyl)-1-methylpyrrolidinium
Smiles: OCCCCCCCCCCCCC[N+]1(C)CCCC1

STL357354
Synonyms: 1-(1H-benzimidazol-1-yl)-2-(4-chlorobenzyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)c(Cc2ccc(cc2)Cl)c(n2c1nc1c2cccc1)n1cnc2c1cccc2

STL336744
Synonyms: 1-(1H-benzimidazol-1-yl)-3-(2-bromophenoxy)propan-2-ol
Smiles: OC(Cn1cnc2c1cccc2)COc1ccccc1Br

STL321116
Synonyms: 1-(1H-benzimidazol-1-yl)-3-(diphenylamino)propan-2-ol
Smiles: OC(Cn1cnc2c1cccc2)CN(c1ccccc1)c1ccccc1

STL328005
Synonyms: 1-(1H-benzimidazol-1-yl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: N#Cc1c(C)cc(n2c1nc1c2cccc1)n1cnc2c1cccc2

STL356952
Synonyms: 1-(1H-benzimidazol-1-yl)-3-[(1-bromonaphthalen-2-yl)oxy]propan-2-ol
Smiles: OC(Cn1cnc2c1cccc2)COc1ccc2c(c1Br)cccc2

STL315312
Synonyms: 1-(1H-benzimidazol-2-yl)-3-methylbutan-1-amine
Smiles: CC(CC(c1nc2c([nH]1)cccc2)N)C

STL314619
Synonyms: 1-(1H-benzimidazol-2-yl)-4-(2-methylpropyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: CC(CC1SCC(=Nc2c1cnn2c1nc2c([nH]1)cccc2)O)C

STL320372
Synonyms: 1-(1H-benzimidazol-2-yl)-4-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)C(C)C)cnn2c1nc2c([nH]1)cccc2

STL361501
Synonyms: 1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Smiles: Oc1ccccc1C1CC(=O)c2c(C1)n(nc2C)c1nc2c([nH]1)cccc2

STL302847
Synonyms: 1-(1H-benzimidazol-2-yl)pyrrolidine-2,5-dione
Smiles: O=C1CCC(=O)N1c1nc2c([nH]1)cccc2

STL311785
Synonyms: 1-(1H-benzimidazol-2-ylmethyl)cyclohexanamine
Smiles: NC1(CCCCC1)Cc1nc2c([nH]1)cccc2

STL336800
Synonyms: 1-(1H-benzotriazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
Smiles: OC(Cn1nnc2c1cccc2)COc1ccccc1C

STL356953
Synonyms: 1-(1H-benzotriazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
Smiles: OC(Cn1nnc2c1cccc2)COc1ccc(cc1)Cl

STL308349
Synonyms: 1-(1H-imidazol-1-yl)-3-phenoxypropan-2-yl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)OC(Cn1cncc1)COc1ccccc1

STL325579
Synonyms: 1-(1H-imidazol-1-yl)-3-phenoxypropan-2-yl4-methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)OC(Cn1cncc1)COc1ccccc1

STL312000
Synonyms: 1-(1H-indazol-3-yl)-5-oxo-N-(4H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1n[nH]c2c1cccc2)Nc1nnc[nH]1

STL349090
Synonyms: 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)propan-1-one
Smiles: CC1CCCCN1C(C(=O)c1c[nH]c2c1cccc2)C

STL348682
Synonyms: 1-(1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)propan-1-one
Smiles: CC1CCCN(C1)C(C(=O)c1c[nH]c2c1cccc2)C

STL343785
Synonyms: 1-(1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanol
Smiles: CC1CCN(CC1)CC(c1c[nH]c2c1cccc2)O

STL349074
Synonyms: 1-(1H-indol-3-yl)-2-(morpholin-4-yl)propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCOCC1

STL342149
Synonyms: 1-(1H-indol-3-yl)-2-(phenylsulfonyl)-1,2-dihydroisoquinoline
Smiles: O=S(=O)(N1C=Cc2c(C1c1c[nH]c3c1cccc3)cccc2)c1ccccc1

STL346319
Synonyms: 1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCCCC1

STL346166
Synonyms: 1-(1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanol
Smiles: OC(c1c[nH]c2c1cccc2)CN1CCSCC1

STL324861
Synonyms: 1-(1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCSCC1

STL349286
Synonyms: 1-(1H-indol-3-yl)-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one
Smiles: Cc1cccc(c1)N1CCN(CC1C)C(C(=O)c1c[nH]c2c1cccc2)C

STL345650
Synonyms: 1-(1H-indol-3-yl)-2-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
Smiles: COc1cccc(c1)N1CCN(CC1C)CC(=O)c1c[nH]c2c1cccc2

STL348968
Synonyms: 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]propan-1-one
Smiles: COc1ccc(cc1)N1CCN(CC1C)C(C(=O)c1c[nH]c2c1cccc2)C

STL343024
Synonyms: 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(c1c[nH]c2c1cccc2)O

STL324875
Synonyms: 1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
Smiles: COc1ccc(cc1)N1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STL346349
Synonyms: 1-(1H-indol-3-yl)-2-[4-(4-nitrobenzyl)piperazin-1-yl]ethanone
Smiles: [O-][N+](=O)c1ccc(cc1)CN1CCN(CC1)CC(=O)c1c[nH]c2c1cccc2

STL349221
Synonyms: 1-(1H-indol-3-yl)-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}propan-1-one
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)N1CCN(CC1)C/C=C/c1ccccc1

STL345329
Synonyms: 1-(1H-indol-3-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: O=C(c1c[nH]c2c1cccc2)CN1CCN(CC1)c1cccc(c1)C(F)(F)F

STL297877
Synonyms: 1-(1H-indol-3-yl)propan-2-one
Smiles: CC(=O)Cc1c[nH]c2c1cccc2

STL324415
Synonyms: 1-(1H-indol-3-ylsulfanyl)propan-2-one
Smiles: CC(=O)CSc1c[nH]c2c1cccc2

STL314060
Synonyms: 1-(1H-tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]cyclohexanecarboxamide
Smiles: O=C(C1(CCCCC1)n1cnnn1)NCCCCCc1nnc2n1cccc2

STL350016
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
Smiles: O=C(N(C1CCCCC1)C)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2

STL349979
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
Smiles: CCN1CCCC1CNC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2

STL350431
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[1-hydroxy-4-(methylsulfanyl)butan-2-yl]piperidine-3-carboxamide
Smiles: CSCCC(NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)CO

STL349851
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
Smiles: CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2)CC

STL350253
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-{1-[(2-fluorophenyl)amino]-1-oxopropan-2-yl}piperidine-4-carboxamide
Smiles: CC(C(=O)Nc1ccccc1F)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2

STL349871
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-{1-[(3-methylbutyl)amino]-1-oxopropan-2-yl}piperidine-4-carboxamide
Smiles: CC(C(=O)NCCC(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2

STL350226
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-{1-[(furan-2-ylmethyl)amino]-1-oxopropan-2-yl}piperidine-4-carboxamide
Smiles: O=C(C(NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2)C)NCc1ccco1

STL361066
Synonyms: 1-(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
Smiles: Cc1ccc2c(c1)C(C)(CC(N2C(=O)C)(C)C)c1ccccc1

STL361349
Synonyms: 1-(2,2,4-trimethyl-6-tritylquinolin-1(2H)-yl)prop-2-en-1-one
Smiles: C=CC(=O)N1c2ccc(cc2C(=CC1(C)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1

STL356855
Synonyms: 1-(2,2-diethoxyethyl)-1H-benzimidazole
Smiles: CCOC(Cn1cnc2c1cccc2)OCC

STL322844
Synonyms: 1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: N#CC1(C#N)C(c2ccc(cc2)F)C(N2C1C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C

STL336315
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCOC(C1)(C)C

STL312027
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-hydroxy-7-methoxyquinolin-3-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Smiles: COc1ccc2c(c1)nc(c(c2)C1SC(=Nc2c1c(=O)[nH]n2C1CCOC(C1)(C)C)C)O

STL313511
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(2-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1ccccc1C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL316244
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1cc(ccc1O)C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL309275
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1ccc(cc1)C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL316843
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-{2-[(3-fluorobenzyl)oxy]phenyl}-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: Fc1cccc(c1)COc1ccccc1C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL312764
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1c(ccc(c1OC)OC)C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL313716
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(2,4,5-trimethoxyphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1cc(OC)c(cc1C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C)OC

STL316810
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: COc1cc(cc(c1OC)OC)C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)C

STL315623
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-4-phenyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Smiles: CC1=Nc2c(C(S1)c1ccccc1)c(nn2C1CCOC(C1)(C)C)O

STL323995
Synonyms: 1-(2,2-dimethyltetrahydro-2H-thiopyran-4-yl)hexan-1-one
Smiles: CCCCCC(=O)C1CCSC(C1)(C)C

STL334259
Synonyms: 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)butan-1-one
Smiles: CCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

STL333219
Synonyms: 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)pentan-1-one
Smiles: CCCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

STL334612
Synonyms: 1-(2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)propan-1-one
Smiles: CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

STL335601
Synonyms: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)butan-1-one
Smiles: CCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2

STL333342
Synonyms: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)pentan-1-one
Smiles: CCCCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2

STL333304
Synonyms: 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)propan-1-one
Smiles: CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2

STL351070
Synonyms: 1-(2,3,5,6-tetrafluoropyridin-4-yl)-4-(2,3,4-trimethoxybenzyl)piperazine
Smiles: COc1c(ccc(c1OC)OC)CN1CCN(CC1)c1c(F)c(F)nc(c1F)F

STL352821
Synonyms: 1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
Smiles: CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C

STL323476
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
Smiles: O=C(C1COc2c(O1)cccc2)CSC1=NCCN1

STL328728
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)methanamine
Smiles: N(CC1COc2c(O1)cccc2)CC1COc2c(O1)cccc2

STL329102
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}methanamine
Smiles: COc1cc(ccc1OC)C1(CNCC2COc3c(O2)cccc3)CCCC1

STL321507
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Smiles: N#Cc1cc2c(n(c1=N)CC1COc3c(O1)cccc3)nc1n(c2=O)cc(cc1)C

STL321305
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-4-propylpiperazine
Smiles: CCCN1CCN(CC1)CC1COc2c(O1)cccc2

STL328763
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-imino-1,3-dihydro-2H-isoindol-2-yl)ethanone
Smiles: O=C(c1ccc2c(c1)OCCO2)CN1Cc2c(C1=N)cccc2

STL303174
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Fc1ccc(cc1)c1nc2c(n1c1ccc3c(c1)OCCO3)nc1c(n2)cccc1

STL303173
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
Smiles: c1coc(c1)c1nc2c(n1c1ccc3c(c1)OCCO3)nc1c(n2)cccc1

STL326916
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-diphenylpropan-1-one
Smiles: O=C(c1ccc2c(c1)OCCO2)CC(c1ccccc1)c1ccccc1

STL331571
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylbenzyl)pyrrolidine-2,5-dione
Smiles: Cc1cc(cc(c1)C)CC1CC(=O)N(C1=O)c1ccc2c(c1)OCCO2

STL334956
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylbenzyl)pyrrolidine-2,5-dione
Smiles: Cc1ccc(cc1)CC1CC(=O)N(C1=O)c1ccc2c(c1)OCCO2

STL300161
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylamino)propan-1-one
Smiles: CN(CCC(=O)c1ccc2c(c1)OCCO2)C

STL329016
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutan-1-one
Smiles: O=C(c1ccc2c(c1)OCCO2)CC(c1ccccc1)C

STL320888
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-yl)butan-1-one
Smiles: O=C(c1ccc2c(c1)OCCO2)CCCN1CCOCC1

STL328816
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
Smiles: c1ccc(cc1)/C=C/CN1CCN(CC1)Cc1ccc2c(c1)OCCO2

STL354927
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Smiles: O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1cccc(c1)C(F)(F)F

STL294592
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
Smiles: O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC1

STL335218
Synonyms: 1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
Smiles: CN(CC1Cc2c(O1)cccc2)C

STL350990
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
Smiles: O=C(N1CCc2c1cccc2)Cc1csc(n1)C

STL356281
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-(4-fluorophenoxy)ethanone
Smiles: Fc1ccc(cc1)OCC(=O)N1CCc2c1cccc2

STL355907
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-(naphthalen-1-yl)ethanone
Smiles: O=C(N1CCc2c1cccc2)Cc1cccc2c1cccc2

STL347691
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: CCc1nc(SCC(=O)N2CCc3c2cccc3)c2c(n1)c1ccccc1o2

STL344281
Synonyms: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Smiles: Cc1nc(SCC(=O)N2CCc3c2cccc3)c2c(n1)c1ccccc1o2

STL319219
Synonyms: 1-(2,3-dimethoxybenzyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione
Smiles: COc1c(cccc1OC)CN1C(=S)NC(CC1(C)O)(C)C

STL344108
Synonyms: 1-(2,3-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1OC)C1N(c2sc(c(n2)C)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL343296
Synonyms: 1-(2,3-dimethoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(c2nnc(s2)CC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL344998
Synonyms: 1-(2,3-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(CCN(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STL343308
Synonyms: 1-(2,3-dimethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(CCN2CCOCC2)C(=O)c2c1c(=O)c1c(o2)cccc1

STL345270
Synonyms: 1-(2,3-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(CCCN(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STL343802
Synonyms: 1-(2,3-dimethoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(CCCN2CCOCC2)C(=O)c2c1c(=O)c1c(o2)cccc1

STL344793
Synonyms: 1-(2,3-dimethoxyphenyl)-7-methyl-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(c2nncs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL343518
Synonyms: 1-(2,3-dimethoxyphenyl)-7-methyl-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(c2nccs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL343966
Synonyms: 1-(2,3-dimethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1OC)C1N(c2scc(n2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL345186
Synonyms: 1-(2,3-dimethoxyphenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1OC)C1N(c2nnc(s2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL342785
Synonyms: 1-(2,3-dimethoxyphenyl)-7-methyl-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1c(OC)cccc1C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STL338028
Synonyms: 1-(2,3-dimethylphenyl)-5-ethyl-1,3,5-triazinane-2-thione
Smiles: CCN1CNC(=S)N(C1)c1cccc(c1C)C

STL308313
Synonyms: 1-(2,3-dimethylphenyl)-5-propyl-1,3,5-triazinane-2-thione
Smiles: CCCN1CNC(=S)N(C1)c1cccc(c1C)C

STL320689
Synonyms: 1-(2,3-diphenyl-10H-imidazo[1',2':2,3][1,2,4]triazino[5,6-b]indol-10-yl)ethanone
Smiles: CC(=O)n1c2nc3nc(c(n3nc2c2c1cccc2)c1ccccc1)c1ccccc1

STL328267
Synonyms: 1-(2,4,5-trimethoxybenzyl)piperidin-4-ol
Smiles: COc1cc(OC)c(cc1CN1CCC(CC1)O)OC

STL336853
Synonyms: 1-(2,4-dichlorobenzyl)-1H-benzimidazole-2-sulfonicacid
Smiles: Clc1ccc(c(c1)Cl)Cn1c2ccccc2nc1S(=O)(=O)O

STL296064
Synonyms: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N1CCOCC1

STL341507
Synonyms: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)NCCCN1CCOCC1

STL342265
Synonyms: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl)C

STL326349
Synonyms: 1-(2,4-dichlorobenzyl)-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)Cn1ncc2c1ncnc2N1CCN(CC1)c1nc(C)cc(n1)C

STL334050
Synonyms: 1-(2,4-dichlorobenzyl)-4-[4-(diphenylmethyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)Cn1ncc2c1ncnc2N1CCN(CC1)C(c1ccccc1)c1ccccc1

STL327069
Synonyms: 1-(2,4-dichlorobenzyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)Cn1ncc2c1ncnc2N1CCN(CC1)c1ccccn1

STL296067
Synonyms: 1-(2,4-dichlorobenzyl)-8-[(2,3-dihydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl)O

STL296066
Synonyms: 1-(2,4-dichlorobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STL340080
Synonyms: 1-(2,4-dichlorobenzyl)-8-[(4-methoxybenzyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STL328792
Synonyms: 1-(2,4-dichlorobenzyl)-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: Clc1ccc(c(c1)Cl)Cn1ncc2c1ncnc2NCCN1CCCCC1

STL323144
Synonyms: 1-(2,4-dichlorobenzyl)pyridin-4(1H)-imine
Smiles: Clc1ccc(c(c1)Cl)Cn1ccc(=N)cc1

STL338494
Synonyms: 1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]quinoxaline
Smiles: Fc1ccc(cc1)c1nc2c(n1c1ccc(cc1Cl)Cl)nc1c(n2)cccc1

STL349684
Synonyms: 1-(2,4-dichlorophenyl)-2-(4-{(Z)-[ethyl(oxido)-lambda~5~-azanylidene]methyl}phenoxy)-2-(1H-1,2,4-triazol-1-yl)ethanone
Smiles: CC/[N+](=C/c1ccc(cc1)OC(C(=O)c1ccc(cc1Cl)Cl)n1cncn1)/[O-]

STL349679
Synonyms: 1-(2,4-dichlorophenyl)-2-(4-{(Z)-[oxido(propan-2-yl)-lambda~5~-azanylidene]methyl}phenoxy)-2-(1H-1,2,4-triazol-1-yl)ethanone
Smiles: [O-]/[N+](=C\c1ccc(cc1)OC(C(=O)c1ccc(cc1Cl)Cl)n1cncn1)/C(C)C