Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK673828
Synonyms: 3- methyl- 1- (pyridin- 3- yl)- 1H- pyrrole- 2,5- dione
Smiles: CC1=CC(=O)N(C1=O)c1cccnc1

STK756873
Synonyms: 5- methyl- 8- nitro- 5H- pyrido[4,3- b]indole
Smiles: [O-][N+](=O)c1ccc2c(c1)c1cnccc1n2C

STK673831
Synonyms:
Smiles: CC12CC3(C4(C2(C2(C1(C)CC3(C42C)C)C)C)C)C

STK756880
Synonyms: methyl2- amino- 4- (3,4- dimethoxyphenyl)- 5- oxo- 1- (4- sulfamoylphenyl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2

STK756882
Synonyms: benzyl4- hydroxy- 2- [(4- methoxyphenyl)carbamoyl]pyrrolidine- 1- carboxylate
Smiles: COc1ccc(cc1)NC(=O)C1CC(CN1C(=O)OCc1ccccc1)O

STK756887
Synonyms: 2- (5- amino- 1,3,4- thiadiazol- 2- yl)- N'- [(E)- (3- methylphenyl)methylidene]acetohydrazide
Smiles: O=C(Cc1nnc(s1)N)N/N=C/c1cccc(c1)C

STK756899
Synonyms: 3- [(Z)- {2- [2,3,5,6- tetrafluoro- 4- (trifluoromethyl)phenyl]hydrazinylidene}methyl]- 1H- indole
Smiles: Fc1c(N/N=C\c2c[nH]c3c2cccc3)c(F)c(c(c1F)C(F)(F)F)F

STK756900
Synonyms: (1E)- 1- (4- bromobenzylidene)- 2- [2,3,5,6- tetrafluoro- 4- (trifluoromethyl)phenyl]hydrazine
Smiles: Brc1ccc(cc1)/C=N/Nc1c(F)c(F)c(c(c1F)F)C(F)(F)F

STK756904
Synonyms: phenyl4- hydroxy- 2- [(2- methoxyphenyl)carbamoyl]pyrrolidine- 1- carboxylate
Smiles: COc1ccccc1NC(=O)C1CC(CN1C(=O)Oc1ccccc1)O

STK756910
Synonyms: 4,7- dichloro- 2- oxo[1,3]dithiolo[4,5- c]pyridine- 6- carbonitrile
Smiles: N#Cc1nc(Cl)c2c(c1Cl)sc(=O)s2

STK756922
Synonyms: ethyl4- [4- (acetylamino)phenyl]- 6- methyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)NC(=O)C

STK673855
Synonyms: N- (3- chlorophenyl)- 3- (2- ethylpiperidin- 1- yl)propanamide
Smiles: CCC1CCCCN1CCC(=O)Nc1cccc(c1)Cl

STK673857
Synonyms: N'- (1,1- dioxido- 1,2- benzothiazol- 3- yl)- N- (naphthalen- 2- ylsulfonyl)benzohydrazide
Smiles: O=C(N(S(=O)(=O)c1ccc2c(c1)cccc2)NC1=NS(=O)(=O)c2c1cccc2)c1ccccc1

STK673859
Synonyms: ethyl(2Z)- 5- (1,3- benzodioxol- 5- yl)- 2- [(2- methoxynaphthalen- 1- yl)methylidene]- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1c(OC)ccc3c1cccc3)/s2

STK673860
Synonyms: N'- [(E)- (4- hydroxy- 3- methoxy- 5- nitrophenyl)methylidene]- 4- (4- hydroxyphenoxy)benzohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)Oc2ccc(cc2)O)cc(c1O)[N+](=O)[O-]

STK756937
Synonyms: N,N'- bis(3- fluorophenyl)biphenyl- 4,4'- disulfonamide
Smiles: Fc1cccc(c1)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)F

STK756941
Synonyms: 4- phenoxy- N- (pyridin- 2- yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccc(cc1)Oc1ccccc1)Nc1ccccn1

STK756944
Synonyms: 2- [2- (4- bromophenyl)- 2- oxoethyl]- 5- nitro- 1H- isoindole- 1,3(2H)- dione
Smiles: Brc1ccc(cc1)C(=O)CN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

STK756947
Synonyms: N'- [(E)- (5- chloro- 2- hydroxyphenyl)methylidene]- 3- fluorobenzohydrazide
Smiles: Fc1cccc(c1)C(=O)N/N=C/c1cc(Cl)ccc1O

STK756954
Synonyms: ethyl2- amino- 4- (1,3- benzodioxol- 5- yl)- 5- oxo- 1- [2- (trifluoromethyl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: CCOC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1C(F)(F)F

STK673870
Synonyms: N- [(E)- (4- methoxyphenyl)methylidene]- 3- (4- methylphenyl)- 1- phenyl- 1H- pyrazol- 5- amine
Smiles: COc1ccc(cc1)/C=N/c1cc(nn1c1ccccc1)c1ccc(cc1)C

STK673871
Synonyms: 1- (4- bromophenyl)- 2- [(6- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1sc2c(n1)ccc(c2)/N=C/c1ccc(cc1Cl)Cl

STK673878
Synonyms: methyl2- amino- 4- (4- bromophenyl)- 5- oxo- 1- [3- (trifluoromethyl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(cc1)Br)C(=O)CCC2

STK756966
Synonyms: 1- [4- methyl- 2- (naphthalen- 1- ylamino)- 1,3- thiazol- 5- yl]ethanone
Smiles: CC(=O)c1sc(nc1C)Nc1cccc2c1cccc2

STK756967
Synonyms: 4- (naphthalen- 2- yl)- N- (4- phenoxyphenyl)- 1,3- thiazol- 2- amine
Smiles: c1ccc(cc1)Oc1ccc(cc1)Nc1scc(n1)c1ccc2c(c1)cccc2

STK756969
Synonyms: propan- 2- ylN- acetyl- 4- fluorophenylalaninate
Smiles: CC(OC(=O)C(Cc1ccc(cc1)F)NC(=O)C)C

STK756971
Synonyms: (2Z,5Z)- 2- [(2- chlorophenyl)imino]- 5- (2,5- dimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(c(c1)/C=C/1\S/C(=N\c2ccccc2Cl)/NC1=O)OC

STK756972
Synonyms: 2- methyl- N- (1- phenylethyl)imidazo[1,2- a]pyridine- 3- carboxamide
Smiles: CC(c1ccccc1)NC(=O)c1c(C)nc2n1cccc2

STK756974
Synonyms: 2- (4- chlorophenoxy)- 3- phenyl- 5,6- dihydroimidazo[2,1- b][1,3]thiazole
Smiles: Clc1ccc(cc1)Oc1sc2=NCCn2c1c1ccccc1

STK756981
Synonyms: 1- (2- fluorophenyl)- 4,6- dimethyl- 2- oxo- 1,2- dihydropyridine- 3- carboxamide
Smiles: Fc1ccccc1n1c(C)cc(c(c1=O)C(=O)N)C

STK756993
Synonyms: 2- (benzyloxy)- 1- (4,6- dimethylpyrimidin- 2- yl)guanidine
Smiles: N/C(=N\OCc1ccccc1)/Nc1nc(C)cc(n1)C

STK756998
Synonyms: 4- amino- N'- [(4- methoxy- 3- nitrobenzyl)oxy]- 1,2,5- oxadiazole- 3- carboximidamide
Smiles: COc1ccc(cc1[N+](=O)[O-])CO/N=C(/c1nonc1N)\N

STK673895
Synonyms: 2- hydroxy- 3,5- dinitro- N'- [(E)- pyridin- 4- ylmethylidene]benzohydrazide
Smiles: [O-][N+](=O)c1cc(C(=O)N/N=C/c2ccncc2)c(c(c1)[N+](=O)[O-])O

STK757002
Synonyms: 2,2'- {benzene- 1,4- diylbis[(E)methylylidene(2E)hydrazin- 1- yl- 2- ylidene]}bis[4- (methoxymethyl)- 6- methylpyridine- 3- carbonitrile]
Smiles: COCc1cc(C)nc(c1C#N)N/N=C/c1ccc(cc1)/C=N/Nc1nc(C)cc(c1C#N)COC

STK757005
Synonyms: 1- benzyl- 3- (4- bromophenyl)- 1H- pyrazol- 5- amine
Smiles: Brc1ccc(cc1)c1nn(c(c1)N)Cc1ccccc1

STK757007
Synonyms: (4Z)- N- (2- methyl- 5- nitrophenyl)bicyclo[6.1.0]non- 4- ene- 9- carboxamide
Smiles: O=C(C1C2C1CCC=CCC2)Nc1cc(ccc1C)[N+](=O)[O-]

STK757008
Synonyms: 2- (piperidin- 1- ylcarbonothioyl)phenyl3,5- dinitrobenzoate
Smiles: S=C(c1ccccc1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCCCC1

STK757009
Synonyms: 2,6- dimethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenyl4- methyl- 3,5- dinitrobenzoate
Smiles: COc1cc(cc(c1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)OC)C(=S)N1CCOCC1

STK757014
Synonyms: methyl2- amino- 4- (1,3- benzodioxol- 5- yl)- 5- oxo- 1- [3- (trifluoromethyl)phenyl]- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

STK757021
Synonyms: (3Z)- 3- (3,4- dimethoxybenzylidene)- 5- (3,4- dimethoxyphenyl)furan- 2(3H)- one
Smiles: COc1ccc(cc1OC)/C=C\1/C=C(OC1=O)c1ccc(c(c1)OC)OC

STK757023
Synonyms: 2- {3- [(2Z)- 3- (2- hydroxyethyl)- 2- (phenylimino)- 2,3- dihydro- 1,3- thiazol- 4- yl]phenyl}- 1H- isoindole- 1,3(2H)- dione
Smiles: OCCn1/c(=N/c2ccccc2)/scc1c1cccc(c1)N1C(=O)c2c(C1=O)cccc2

STK757027
Synonyms: 5- methyl- N'- [(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 3- phenyl- 1,2- oxazole- 4- carbohydrazide
Smiles: O=C(c1c(C)onc1c1ccccc1)N/N=C/1\C(=O)Nc2c1cccc2

STK757045
Synonyms: (4S)- 6- amino- 3- tert- butyl- 4- [2- (trifluoromethyl)phenyl]- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c([C@H]1c1ccccc1C(F)(F)F)c(n[nH]2)C(C)(C)C

STK757051
Synonyms: 6- amino- 3- {[(3- cyano- 4,6- dimethylpyridin- 2- yl)sulfanyl]methyl}- 4- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1)c(CSc1nc(C)cc(c1C#N)C)n[nH]2

STK757056
Synonyms: 4- methoxy- 6- phenoxypyrimidin- 2- amine
Smiles: COc1cc(Oc2ccccc2)nc(n1)N

STK757060
Synonyms: 6- amino- 4- (2- chloro- 4- nitrophenyl)- 3- phenyl- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1Cl)[N+](=O)[O-])c([nH]n2)c1ccccc1

STK757068
Synonyms: N- {5- [(2- methylpropyl)sulfanyl]- 1H- 1,2,4- triazol- 3- yl}acetamide
Smiles: CC(CSc1[nH]nc(n1)NC(=O)C)C

STK757069
Synonyms: 2- methoxy- 5- (piperidin- 1- ylcarbonothioyl)phenyl4- methylbenzoate
Smiles: COc1ccc(cc1OC(=O)c1ccc(cc1)C)C(=S)N1CCCCC1

STK673921
Synonyms: N'- [(E)- (3,5- dibromo- 4- hydroxyphenyl)methylidene]- 3- hydroxy- 4- iodobenzohydrazide
Smiles: O=C(c1ccc(c(c1)O)I)N/N=C/c1cc(Br)c(c(c1)Br)O

STK757074
Synonyms: 2- ethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenyl4- methyl- 3,5- dinitrobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)C(=S)N1CCOCC1

STK757075
Synonyms: 2- (morpholin- 4- ylcarbonothioyl)phenyl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1ccccc1C(=S)N1CCOCC1)/C=C/c1ccccc1

STK673927
Synonyms: 3- (morpholin- 4- ylcarbonothioyl)phenyl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1cccc(c1)C(=S)N1CCOCC1)/C=C/c1ccccc1

STK757082
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- amine
Smiles: Cc1cc(ccc1C)c1csc(n1)Nc1ccc2c(c1)OCO2

STK757094
Synonyms: N'- {(E)- [4- (1,3- benzothiazol- 2- ylsulfanyl)- 3- nitrophenyl]methylidene}- 2- methoxyacetohydrazide
Smiles: COCC(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Sc1nc2c(s1)cccc2

STK757096
Synonyms: 2- chloro- 4,6- dimethylpyridine- 3- sulfonamide
Smiles: Cc1cc(C)c(c(n1)Cl)S(=O)(=O)N

STK757097
Synonyms: N,N- diethyl- 1H- 1,2,4- triazole- 5- sulfonamide
Smiles: CCN(S(=O)(=O)c1ncn[nH]1)CC

STK757106
Synonyms: methyl2- amino- 4- (4- methoxyphenyl)- 7,7- dimethyl- 5- oxo- 1- phenyl- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccccc1)C(=O)OC

STK757107
Synonyms: 1- (2- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- ylN- (1,3- benzodioxol- 5- ylmethyl)- N'- phenylcarbamimidothioate
Smiles: COc1ccccc1N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2

STK757108
Synonyms: 1- (3- chlorophenyl)- 2,5- dioxopyrrolidin- 3- ylN- (1,3- benzodioxol- 5- ylmethyl)- N'- phenylcarbamimidothioate
Smiles: Clc1cccc(c1)N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2

STK757109
Synonyms: 1- (4- methoxyphenyl)- 2,5- dioxopyrrolidin- 3- ylN- (1,3- benzodioxol- 5- ylmethyl)- N'- phenylcarbamimidothioate
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)S/C(=N/c1ccccc1)/NCc1ccc2c(c1)OCO2

STK757117
Synonyms: 2- amino- 4- (4- ethylphenyl)- 1- (2- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1F)C#N

STK673952
Synonyms: (2E)- 2- (1H- benzimidazol- 2- yl)- 3- [4- ({4- [(2- bromo- 4- methylphenyl)amino]- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl}oxy)- 3- methoxyphenyl]prop- 2- enenitrile
Smiles: COc1cc(ccc1Oc1nc(nc(n1)N1CCOCC1)Nc1ccc(cc1Br)C)/C=C(/c1nc2c([nH]1)cccc2)\C#N

STK757129
Synonyms: 5- {[5- (2,3- dimethyl- 4- nitrophenyl)furan- 2- yl]methylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])C(=O)N1

STK673954
Synonyms: 4- ({6- [(4- iodophenyl)amino][1,2,5]oxadiazolo[3,4- b]pyrazin- 5- yl}amino)- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1Nc1c(C)n(n(c1=O)c1ccccc1)C

STK757140
Synonyms: (2E)- 2- [2- (2- fluorophenyl)hydrazinylidene]- 3- imino- 3- (morpholin- 4- yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccccc1F)/C(=N)N1CCOCC1

STK673960
Synonyms: (4E)- 4- [2- (4- chlorophenyl)hydrazinylidene]- 5- imino- 4,5- dihydro- 1H- pyrazol- 3- amine
Smiles: Clc1ccc(cc1)N/N=C\1/C(=NNC1=N)N

STK757146
Synonyms: (2E)- 3- (azepan- 1- yl)- 3- imino- 2- [2- (4- methylphenyl)hydrazinylidene]propanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)C)/C(=N)N1CCCCCC1

STK673961
Synonyms: (4E)- 5- imino- 4- [2- (4- methoxyphenyl)hydrazinylidene]- 4,5- dihydro- 1H- pyrazol- 3- amine
Smiles: COc1ccc(cc1)N/N=C\1/C(=NNC1=N)N

STK757148
Synonyms: (2E)- 3- imino- 2- [2- (2- methoxyphenyl)hydrazinylidene]- 3- (morpholin- 4- yl)propanenitrile
Smiles: N#C/C(=N\Nc1ccccc1OC)/C(=N)N1CCOCC1

STK757149
Synonyms: (2E)- 1,3- bis(4- chlorophenyl)- 3- (1H- 1,2,4- triazol- 1- yl)prop- 2- en- 1- one
Smiles: Clc1ccc(cc1)C(=O)/C=C(/n1ncnc1)\c1ccc(cc1)Cl

STK673964
Synonyms: 2- fluoro- N- (3- fluoro- 3,3- dinitropropyl)- 2,2- dinitroacetamide
Smiles: [O-][N+](=O)C([N+](=O)[O-])(CCNC(=O)C([N+](=O)[O-])([N+](=O)[O-])F)F

STK757151
Synonyms: dimethyl4,10- dioxo- 2,8- diphenyl- 1,7- dioxadispiro[4.0.4.2]dodeca- 2,8- diene- 11,12- dicarboxylate
Smiles: COC(=O)C1C(C(=O)OC)C2(C31OC(=CC3=O)c1ccccc1)OC(=CC2=O)c1ccccc1

STK757152
Synonyms: N- (4- methylphenyl)- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidine- 4- carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1

STK757154
Synonyms: 2- oxopropane- 1,3- diylbis{[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]acetate}
Smiles: O=C(COC(=O)CSc1nc(C)cc(n1)C)COC(=O)CSc1nc(C)cc(n1)C

STK757155
Synonyms: 2- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)amino]- 2- oxoethyl[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCc1nnc(s1)NC(=O)COC(=O)CSc1nc(C)cc(n1)C

STK757169
Synonyms: N- (3- chlorophenyl)- 6- (piperidin- 1- yl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Clc1cccc(c1)Nc1nc2nonc2nc1N1CCCCC1

STK673969
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 2- [(6- methyl- 5- oxo- 4,5- dihydro- 1,2,4- triazin- 3- yl)sulfanyl]acetamide
Smiles: CCc1nnc(s1)NC(=O)CSc1nnc(c(=O)[nH]1)C

STK757171
Synonyms: ethyl2- amino- 7,7- dimethyl- 4- (5- methylthiophen- 2- yl)- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carboxylate
Smiles: CCOC(=O)C1=C(N)OC2=C(C1c1ccc(s1)C)C(=O)CC(C2)(C)C

STK757173
Synonyms: 2,6- diamino- 4- (4- bromo- 5- methylthiophen- 2- yl)- 4H- thiopyran- 3,5- dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cc(c(s1)C)Br)C#N)N

STK673970
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- N'- [(1E)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)OC)O)\C)CC

STK673971
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[benzyl(methyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(Cc1ccccc1)C)c1nonc1N

STK757187
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (thiocyanatomethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CSC#N)c1nonc1N

STK757193
Synonyms: dimethyl4,4'- [[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole- 3,6- diylbis(sulfanediylmethanediyl)]dibenzoate
Smiles: COC(=O)c1ccc(cc1)CSc1sc2n(n1)c(nn2)SCc1ccc(cc1)C(=O)OC

STK757199
Synonyms: 2,6- diphenyl- 4- (phenylethynyl)pyridine
Smiles: c1ccc(cc1)C#Cc1cc(nc(c1)c1ccccc1)c1ccccc1

STK673974
Synonyms: (2Z)- 3- (diethylamino)- 4- methoxy- 4- methyl- 1- (4- nitrophenyl)pent- 2- en- 1- one
Smiles: CCN(/C(=C\C(=O)c1ccc(cc1)[N+](=O)[O-])/C(OC)(C)C)CC

STK757204
Synonyms: methyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(1,3- benzoxazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: COC(=O)c1nnn(c1CSc1nc2c(o1)cccc2)c1nonc1N

STK757205
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (methoxymethyl)- 1H- 1,2,3- triazole- 4- carboxamide
Smiles: COCc1c(nnn1c1nonc1N)C(=O)N

STK757206
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazole- 4- carboxamide
Smiles: NC(=O)c1nnn(c1C)c1nonc1N

STK673982
Synonyms: N- cyclohexyl- 2- [(6- {[(E)- (3,5- dibromo- 2- hydroxyphenyl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1sc2c(n1)ccc(c2)/N=C/c1cc(Br)cc(c1O)Br

STK757209
Synonyms: 2- [(6- {[(E)- anthracen- 9- ylmethylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1c2ccccc2cc2c1cccc2

STK673987
Synonyms: 2- [(6- {[(E)- (4- chlorophenyl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]- N- cyclohexylacetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1ccc(cc1)Cl

STK757216
Synonyms: N- cyclohexyl- 2- [(6- {[(E)- (2- hydroxynaphthalen- 1- yl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2

STK673991
Synonyms: 2- methyl- 2- {[4- (4- methylpiperidin- 1- yl)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]amino}propan- 1- ol
Smiles: OCC(Nc1nc(nc(n1)N1CCOCC1)N1CCC(CC1)C)(C)C

STK757222
Synonyms: 6- chloro- N- (4- methoxyphenyl)- N'- (pyridin- 3- ylmethyl)- 1,3,5- triazine- 2,4- diamine
Smiles: COc1ccc(cc1)Nc1nc(NCc2cccnc2)nc(n1)Cl

STK673992
Synonyms: ethyl5- methoxy- 2- methyl- 1- [2- (4- phenylpiperazin- 1- yl)ethyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1cc(OC)cc2)CCN1CCN(CC1)c1ccccc1

STK757225
Synonyms: 2- oxo- 2- [(2Z)- 2- (4- phenylbutan- 2- ylidene)hydrazinyl]- N- (1- phenylethyl)acetamide
Smiles: C/C(=N/NC(=O)C(=O)NC(c1ccccc1)C)/CCc1ccccc1

STK673995
Synonyms: [(5Z)- 5- (3,5- dichloro- 2- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]aceticacid
Smiles: COc1c(cc(cc1Cl)Cl)/C=C/1\SC(=S)N(C1=O)CC(=O)O

STK674001
Synonyms: 2- {[4- (dimethylamino)phenyl]amino}- 3,5- dinitrobenzoicacid
Smiles: CN(c1ccc(cc1)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O)C

STK674002
Synonyms: 3- cyclohexyl- 4- methylidene- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: O=C1OC2(C(=C)N1C1CCCCC1)CCCCC2

STK757239
Synonyms: 3- [(2Z)- 4- phenyl- 2- (phenylimino)- 1,3- thiazol- 3(2H)- yl]propan- 1- ol
Smiles: OCCCn1/c(=N/c2ccccc2)/scc1c1ccccc1

STK674003
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dibutylamino)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCCCN(Cc1c(nnn1c1nonc1N)C(=O)OCC)CCCC

STK757240
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1C(=O)c2c(C1=O)cccc2)c1nonc1N

STK674004
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[benzyl(propan- 2- yl)amino]methyl}- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(C(C)C)Cc1ccccc1)c1nonc1N

STK757248
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N- [1- (4- ethoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]acetamide
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccc2c(c1)OCO2

STK757255
Synonyms: methyl2- amino- 4- (1,3- benzodioxol- 5- yl)- 7,7- dimethyl- 5- oxo- 1- (4- sulfamoylphenyl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)c1ccc(cc1)S(=O)(=O)N

STK757257
Synonyms: methyl2- amino- 4- (1,3- benzodioxol- 5- yl)- 1- (4- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2

STK757265
Synonyms: 2- (4- {2- [(E)- (dibenzo[b,d]furan- 3- ylimino)methyl]- 4- nitrophenyl}piperazin- 1- yl)ethanol
Smiles: OCCN1CCN(CC1)c1ccc(cc1/C=N/c1ccc2c(c1)oc1c2cccc1)[N+](=O)[O-]

STK757267
Synonyms: 3- {(2E)- 2- [2,4- bis(4- methylpiperidin- 1- yl)- 5- nitrobenzylidene]hydrazinyl}- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: CC1CCN(CC1)c1cc(N2CCC(CC2)C)c(cc1/C=N/Nc1nnc(n1N)C)[N+](=O)[O-]

STK674016
Synonyms: [oxybis(ethane- 2,1- diyloxybenzene- 3,1- diyl)]bis(phosphonicacid)
Smiles: OP(=O)(c1cccc(c1)OCCOCCOc1cccc(c1)P(=O)(O)O)O

STK757269
Synonyms: 1- [2- nitro- 4- (1H- tetrazol- 1- yl)phenyl]piperidine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCCCC1)n1cnnn1

STK757284
Synonyms: (2E)- 2- {3- [2- nitro- 4- (trifluoromethyl)phenoxy]benzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: [O-][N+](=O)c1cc(ccc1Oc1cccc(c1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1)C(F)(F)F

STK757286
Synonyms: 5- {[5- (2,3- dimethyl- 4- nitrophenyl)furan- 2- yl]methylidene}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])C(=O)N1

STK757287
Synonyms: N- (4- fluorophenyl)- 6- (4- methylpiperidin- 1- yl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: CC1CCN(CC1)c1nc2nonc2nc1Nc1ccc(cc1)F

STK757290
Synonyms: 4,5- dimethyl- 1H- benzimidazole- 2- thiol
Smiles: Cc1ccc2c(c1C)nc([nH]2)S

STK757296
Synonyms: (2E)- 6,7- dimethyl- 2- [(3- phenyl- 1H- pyrazol- 4- yl)methylidene][1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1cc2nc3n(c2cc1C)c(=O)/c(=C\c1c[nH]nc1c1ccccc1)/s3

STK757315
Synonyms: ethyl2- amino- 4- (3,4- dimethoxyphenyl)- 7,7- dimethyl- 1- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: CCOC(=O)C1=C(N)N(c2ccc(cc2)C)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

STK757327
Synonyms: 3- [(2E)- 2- (2,3- dichlorobenzylidene)hydrazinyl]- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1cccc(c1Cl)/C=N/Nc1nnc(n1N)C

STK757329
Synonyms: 10,10- dichloro- N- (4- methoxyphenyl)tricyclo[7.1.0.0~4,6~]decane- 5- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1C2C1CCC1C(CC2)C1(Cl)Cl

STK757356
Synonyms: methyl1- [(4- chlorophenyl)carbonyl]- 5- hydroxy- 3- (propan- 2- yl)- 4,5- dihydro- 1H- pyrazole- 5- carboxylate
Smiles: COC(=O)C1(O)CC(=NN1C(=O)c1ccc(cc1)Cl)C(C)C

STK757358
Synonyms: ethyl2- ({[4- (phenylcarbonyl)phenyl]carbonyl}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(=O)c2ccccc2)sc2c1CCCC2

STK674041
Synonyms: {(5E)- 5- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2cc(n(c2C)c2ccccc2)C)/C1=O

STK674050
Synonyms: 2- [2- (ethylsulfanyl)- 1H- benzimidazol- 1- yl]- N- (2- nitrophenyl)acetamide
Smiles: CCSc1nc2c(n1CC(=O)Nc1ccccc1[N+](=O)[O-])cccc2

STK757366
Synonyms: 2- amino- 1- (4- bromophenyl)- 4- {3- [(2- chlorophenoxy)methyl]- 4- methoxyphenyl}- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(c(c1)COc1ccccc1Cl)OC)C(=O)CCC2

STK757369
Synonyms: tert- butyl(8aR)- 6- amino- 5,7,7- tricyano- 8- (furan- 3- yl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccoc1)(C#N)C#N

STK757372
Synonyms: (1S,2S,3aR)- 2- [4- (methylsulfanyl)phenyl]- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 1,2- dihydropyrrolo[1,2- a]quinoline- 3,3(3aH)- dicarbonitrile
Smiles: N#CC1(C#N)[C@H](c2ccc(cc2)SC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

STK757374
Synonyms: 6- amino- 2- ethyl- 8- [4- (methylsulfanyl)phenyl]- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccc(cc1)SC)C(C(=C2C#N)N)(C#N)C#N

STK757379
Synonyms: 6- amino- 2- ethyl- 8- (thiophen- 3- yl)- 2,3,8,8a- tetrahydroisoquinoline- 5,7,7(1H)- tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccsc1)C(C(=C2C#N)N)(C#N)C#N

STK757403
Synonyms: (2Z,5Z)- 2- [(2,6- dimethylphenyl)imino]- 3- phenyl- 5- [(3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1,3- thiazolidin- 4- one
Smiles: O=C1/C(=C/c2c[nH]nc2c2ccccc2)/S/C(=N\c2c(C)cccc2C)/N1c1ccccc1

STK757407
Synonyms: N'- [(E)- (1- benzyl- 1H- indol- 3- yl)methylidene]- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1

STK757411
Synonyms: (4- benzylpiperidin- 1- yl)[4- (phenylsulfonyl)phenyl]methanone
Smiles: O=C(c1ccc(cc1)S(=O)(=O)c1ccccc1)N1CCC(CC1)Cc1ccccc1

STK674067
Synonyms: 3- ({[4- methyl- 3- (pyrrolidin- 1- ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)C)Nc1cccc(c1)C(=O)O

STK757418
Synonyms: 3- (quinoxalin- 2- yl)phenyl2- chloro- 5- (morpholin- 4- ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)Oc1cccc(c1)c1cnc2c(n1)cccc2

STK674070
Synonyms: 1- {2- O- acetyl- 3,5- bis- O- [(4- methylphenyl)carbonyl]pentofuranosyl}- 5- iodopyrimidine- 2,4(1H,3H)- dione
Smiles: Cc1ccc(cc1)C(=O)OCC1OC(C(C1OC(=O)c1ccc(cc1)C)OC(=O)C)n1cc(I)c(=O)[nH]c1=O

STK757428
Synonyms: 3- [(2- chlorophenyl)sulfamoyl]- N- phenylbenzamide
Smiles: O=C(c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl)Nc1ccccc1

STK674072
Synonyms: 2- ({[3- (diethylsulfamoyl)- 4- methoxyphenyl]carbonyl}amino)benzoicacid
Smiles: CCN(S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(=O)O)CC

STK674074
Synonyms: 2- ({[3- (pyrrolidin- 1- ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)Nc1ccccc1C(=O)O

STK757445
Synonyms: (1E)- 1- [1- (2,4- dichlorophenyl)ethylidene]- 2- (2,4,6- trichlorophenyl)hydrazine
Smiles: Clc1ccc(c(c1)Cl)/C(=N/Nc1c(Cl)cc(cc1Cl)Cl)/C

STK757450
Synonyms: 3- (benzyloxy)- 4,6- dinitro- 1,2- benzothiazole
Smiles: [O-][N+](=O)c1cc(cc2c1c(OCc1ccccc1)ns2)[N+](=O)[O-]

STK757453
Synonyms: N- (2- {[(4- methylphenyl)sulfonyl]amino}ethyl)- 3,5- bis(methylsulfanyl)- 1,2- thiazole- 4- carboxamide
Smiles: CSc1snc(c1C(=O)NCCNS(=O)(=O)c1ccc(cc1)C)SC

STK757457
Synonyms: (4- fluorophenyl)[4- (piperidin- 1- yl)phenyl]methanone
Smiles: Fc1ccc(cc1)C(=O)c1ccc(cc1)N1CCCCC1

STK674082
Synonyms: 4- bromo- N- (1,1- dioxido- 1,2- benzothiazol- 3- yl)- N'- methyl- N'- [(4- methylphenyl)sulfonyl]benzohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(N(C1=NS(=O)(=O)c2c1cccc2)C(=O)c1ccc(cc1)Br)C

STK757464
Synonyms: N- (4- fluorophenyl)- N'- (4- iodophenyl)[1,2,5]oxadiazolo[3,4- b]pyrazine- 5,6- diamine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1Nc1ccc(cc1)I

STK757468
Synonyms: 1,4,7- trioxa- 10,13- diazacyclopentadecane- 9,14- dione
Smiles: O=C1COCCOCCOCC(=O)NCCN1

STK757474
Synonyms: (4Z)- 4- [(4- bromo- 5- methylthiophen- 2- yl)methylidene]- 3- phenyl- 1,2- oxazol- 5(4H)- one
Smiles: O=C1ON=C(/C/1=C/c1cc(c(s1)C)Br)c1ccccc1

STK757476
Synonyms: ethyl4,5- dimethyl- 2- {[1- (phenylsulfonyl)prolyl]amino}thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)sc(c1C)C

STK674087
Synonyms: (4Z,8E)- N- (2- fluorophenyl)bicyclo[10.1.0]trideca- 4,8- diene- 13- carboxamide
Smiles: O=C(C1C2C1CCC=CCCC=CCC2)Nc1ccccc1F

STK674090
Synonyms: 2- methyl- 3,5- dinitro- N- [(E)- (4- nitrophenyl)methylidene]aniline
Smiles: [O-][N+](=O)c1ccc(cc1)/C=N/c1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]

STK674092
Synonyms: benzene- 1,4- diylbis[3- (morpholin- 4- ylsulfonyl)benzoate]
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)Oc1ccc(cc1)OC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

STK757492
Synonyms: 2- {[(1E)- 1- (5- chlorothiophen- 2- yl)ethylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C(/c2ccc(s2)Cl)\C)sc2c1CCCC2

STK674094
Synonyms: N,N'- {[5- (phenylcarbonyl)- 1,3,7- triazabicyclo[3.3.1]nonane- 3,7- diyl]bis(sulfonylbenzene- 4,1- diyl)}diacetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CN2CN(CC(C1)(C2)C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK757496
Synonyms: 1,1'- (ethane- 1,1- diyldifuran- 5,2- diyl)bis(trifluoroethanone)
Smiles: CC(c1ccc(o1)C(=O)C(F)(F)F)c1ccc(o1)C(=O)C(F)(F)F

STK674095
Synonyms: 2- [2,2- bis(trifluoromethyl)- 1,3,6- trioxaspiro[4.4]non- 8- en- 7- yl]- 1,1,1,3,3,3- hexafluoropropan- 2- ol
Smiles: OC(C(F)(F)F)(C(F)(F)F)C1C=CC2(O1)COC(O2)(C(F)(F)F)C(F)(F)F

STK757500
Synonyms: 5- [(2E)- 2- (2- methoxybenzylidene)hydrazinyl]- 3- (methylsulfanyl)- 1,2- thiazole- 4- carbonitrile
Smiles: N#Cc1c(N/N=C/c2ccccc2OC)snc1SC

STK757504
Synonyms: 2- (2,4- dichlorophenoxy)- N- (6- methoxyquinolin- 8- yl)acetamide
Smiles: COc1cc(NC(=O)COc2ccc(cc2Cl)Cl)c2c(c1)cccn2

STK757506
Synonyms: 1H- imidazol- 2- yl[2- (morpholin- 4- ylcarbonyl)phenyl]methanone
Smiles: O=C(c1ccccc1C(=O)c1ncc[nH]1)N1CCOCC1

STK757508
Synonyms: 2- methoxy- 5- (piperidin- 1- ylcarbonothioyl)phenyl3- methylbenzoate
Smiles: COc1ccc(cc1OC(=O)c1cccc(c1)C)C(=S)N1CCCCC1

STK757510
Synonyms: [5- (4- bromophenyl)- 3- ethyl- 5- hydroxy- 4,5- dihydro- 1H- pyrazol- 1- yl](4- methylphenyl)methanone
Smiles: CCC1=NN(C(C1)(O)c1ccc(cc1)Br)C(=O)c1ccc(cc1)C

STK757512
Synonyms: 4,6- dinitro- 1,2- benzothiazol- 3(2H)- one1- oxide
Smiles: [O-][N+](=O)c1cc(cc2c1c(=O)[nH]s2=O)[N+](=O)[O-]

STK674098
Synonyms: {2- [(4- methylphenyl)sulfanyl]- 3- oxo- 1,3- diphenylpropyl}propanedinitrile(non- preferredname)
Smiles: N#CC(C(C(C(=O)c1ccccc1)Sc1ccc(cc1)C)c1ccccc1)C#N

STK674103
Synonyms: 3,3'- (piperazine- 1,4- diyldicarbonyl)bis(6- chloro- N,N- diethylbenzenesulfonamide)
Smiles: CCN(S(=O)(=O)c1cc(ccc1Cl)C(=O)N1CCN(CC1)C(=O)c1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl)CC

STK674105
Synonyms: methyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (azepan- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N

STK674106
Synonyms: 4- amino- 5- bromo- 1- pentofuranosylpyrimidin- 2(1H)- one
Smiles: OCC1OC(C(C1O)O)n1cc(Br)c(nc1=O)N

STK757526
Synonyms: 5- (2,3- dimethyl- 4- nitrophenyl)furan- 2- carbaldehyde
Smiles: O=Cc1ccc(o1)c1ccc(c(c1C)C)[N+](=O)[O-]

STK674111
Synonyms: 2- [(4- benzylpiperazin- 1- yl)methyl]- 1- methyl- 1H- indole- 3- carbonitrile
Smiles: N#Cc1c(CN2CCN(CC2)Cc2ccccc2)n(c2c1cccc2)C

STK757532
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (1H- benzotriazol- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1Cn1nnc2c1cccc2)c1nonc1N

STK757538
Synonyms: 4- methylidene- 3- (2- phenylethyl)- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: O=C1OC2(C(=C)N1CCc1ccccc1)CCCCC2

STK757541
Synonyms: 4,4,6a,6b- tetramethylhexahydro- 3H- 1- oxa- 2a,3- diazacyclopenta[cd]pentalen- 2- one
Smiles: O=C1OC2(C3(N1NC(C3CC2)(C)C)C)C

STK757546
Synonyms: N- (2,4- dimethylphenyl)- Nalpha- (phenoxycarbonyl)phenylalaninamide
Smiles: O=C(NC(C(=O)Nc1ccc(cc1C)C)Cc1ccccc1)Oc1ccccc1

STK674118
Synonyms: 2- [5- (2- chlorophenyl)- 2H- tetrazol- 2- yl]- N'- {(E)- [2,4- di(morpholin- 4- yl)- 5- nitrophenyl]methylidene}acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1

STK757551
Synonyms: 5- amino- 3- [(Z)- 2- (6- chloro- 1,3- benzodioxol- 5- yl)- 1- cyanoethenyl]- 1- phenyl- 1H- pyrazole- 4- carbonitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1Cl)/c1nn(c(c1C#N)N)c1ccccc1

STK674119
Synonyms: [(2Z)- 2- (heptan- 4- ylidenehydrazinylidene)- 4- oxo- 3- phenyl- 1,3- thiazolidin- 5- yl]aceticacid
Smiles: CCCC(=N/N=C/1\SC(C(=O)N1c1ccccc1)CC(=O)O)CCC

STK757555
Synonyms: (2E)- 2- (1,3- benzothiazol- 2- yl)- 3- (3,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC)/c1nc2c(s1)cccc2

STK674121
Synonyms: N- (4- chlorophenyl)- 1,2- dihydroacenaphthylene- 5- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1ccc2c3c1cccc3CC2

STK674122
Synonyms: N- [4- (diethylamino)phenyl]- 1,2- dihydroacenaphthylene- 5- carboxamide
Smiles: CCN(c1ccc(cc1)NC(=O)c1ccc2c3c1cccc3CC2)CC

STK757580
Synonyms: 4- hydroxy- 4,5,5- trimethyl- 3- (prop- 2- en- 1- yl)- 1,3- oxazolidin- 2- one
Smiles: C=CCN1C(=O)OC(C1(C)O)(C)C

STK757582
Synonyms: 2- phenylethyl4- (3- ethoxy- 4- hydroxyphenyl)- 2,7,7- trimethyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1

STK674130
Synonyms: 1,5- bis(4- bromophenyl)- 4- [(4- bromophenyl)carbonyl]- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C1N(c2ccc(cc2)Br)C(=O)C(=C1C(=O)c1ccc(cc1)Br)O

STK757587
Synonyms: (3E,5E)- 1- benzyl- 3,5- dibenzylidenepiperidin- 4- one
Smiles: O=C1/C(=C/c2ccccc2)/CN(C/C/1=C\c1ccccc1)Cc1ccccc1

STK674132
Synonyms: (4Z)- 4- [2- (4- fluorophenyl)hydrazinylidene]- 5- imino- 4,5- dihydro- 1H- pyrazol- 3- amine
Smiles: Fc1ccc(cc1)N/N=C/1\C(=NNC1=N)N

STK757591
Synonyms: (2E)- 2- [2- (3- fluorophenyl)hydrazinylidene]- 3- imino- 3- (piperidin- 1- yl)propanenitrile
Smiles: N#C/C(=N\Nc1cccc(c1)F)/C(=N)N1CCCCC1

STK674133
Synonyms: (4Z)- 4- [2- (3- fluorophenyl)hydrazinylidene]- 5- imino- 4,5- dihydro- 1H- pyrazol- 3- amine
Smiles: Fc1cccc(c1)N/N=C/1\C(=NNC1=N)N

STK674135
Synonyms: 1- (diethoxyphosphoryl)cyclopropanecarboxylicacid
Smiles: CCOP(=O)(C1(CC1)C(=O)O)OCC

STK674137
Synonyms: 3- hydroxy- 4- [(4Z)- 5- oxo- 4- (phenylimino)- 4,5- dihydrofuran- 2- yl]- 1,5- diphenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C1OC(=C/C/1=N/c1ccccc1)C1=C(O)C(=O)N(C1c1ccccc1)c1ccccc1

STK757606
Synonyms: 1- [(2,2- diphenylethenyl)sulfonyl]- 4- methylbenzene
Smiles: Cc1ccc(cc1)S(=O)(=O)/C=C(/c1ccccc1)\c1ccccc1

STK757607
Synonyms: 5- [2- (2,4- dimethylpiperidin- 1- yl)- 5- nitrobenzylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CC1CCN(C(C1)C)c1ccc(cc1C=C1C(=O)NC(=O)NC1=O)[N+](=O)[O-]

STK757610
Synonyms: 6- methoxy- N- [2- (morpholin- 4- yl)ethyl]- N'- phenyl- 1,3,5- triazine- 2,4- diamine
Smiles: COc1nc(NCCN2CCOCC2)nc(n1)Nc1ccccc1

STK674141
Synonyms: 1- {3- [(4- methylphenyl)sulfonyl]- 2- phenylimidazolidin- 1- yl}- 2- (morpholin- 4- yl)ethanone
Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(C1c1ccccc1)C(=O)CN1CCOCC1

STK757615
Synonyms: 4- (6,6- dimethyl- 4- oxo- 2- phenyl- 4,5,6,7- tetrahydro- 1H- indol- 1- yl)benzenesulfonamide
Smiles: O=C1CC(C)(C)Cc2c1cc(n2c1ccc(cc1)S(=O)(=O)N)c1ccccc1

STK674144
Synonyms: 2- [(6- methyl- 1,3- benzothiazol- 2- yl)amino]- 2- oxoethyl5- bromofuran- 2- carboxylate
Smiles: O=C(Nc1sc2c(n1)ccc(c2)C)COC(=O)c1ccc(o1)Br

STK674146
Synonyms: methyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N

STK757620
Synonyms: N- (4- tert- butyl- 3- cyano- 1- ethyl- 1H- pyrrol- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)C)n(cc1C(C)(C)C)CC

STK757621
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(quinolin- 8- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1cccc2c1nccc2)c1nonc1N

STK674148
Synonyms: 2- methyl- 4,6- dinitro- 1,2- benzothiazol- 3(2H)- one
Smiles: [O-][N+](=O)c1cc(cc2c1c(=O)n(s2)C)[N+](=O)[O-]

STK757635
Synonyms: 4- hydroxy- 2- oxo- N- phenyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1ccccc1

STK674154
Synonyms: 1,3,5- tris(4- chlorophenyl)- 4,5- dihydro- 1H- pyrazole
Smiles: Clc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl

STK757658
Synonyms: ethyl2- [(dimethylamino)methyl]- 5- hydroxy- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(CN(C)C)oc2c1cc(O)cc2

STK674165
Synonyms: 2- {[(2E)- 2- (acetylamino)- 3- (1,3- benzodioxol- 5- yl)prop- 2- enoyl]amino}butanoicacid
Smiles: CCC(C(=O)O)NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)C

STK757674
Synonyms: N- [2- (phenylethynyl)phenyl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1ccccc1C#Cc1ccccc1

STK674170
Synonyms: [2- (2- oxopyrrolidin- 1- yl)ethyl]phosphonicacid
Smiles: O=C1CCCN1CCP(=O)(O)O

STK757676
Synonyms: 3- [(1,1- dioxido- 1,2- benzothiazol- 3- yl)amino]phenyl(2E)- 3- phenylprop- 2- enoate
Smiles: O=C(Oc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2)/C=C/c1ccccc1

STK674173
Synonyms: methyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK757679
Synonyms: ethyl1- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 4- (ethoxycarbonyl)- 1H- 1,2,3- triazol- 5- yl]methyl}piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1c(nnn1c1nonc1N)C(=O)OCC

STK757685
Synonyms: 5- (3- methoxyphenyl)- 3- phenyl- 2- thioxo- 2,3,5,6- tetrahydro[1,3]thiazolo[4,5- d]pyrimidin- 7(4H)- one
Smiles: COc1cccc(c1)C1NC(=O)c2c(N1)n(c1ccccc1)c(=S)s2

STK674183
Synonyms: 5- amino- 4- cyano- N'- [(E)- (4- hydroxy- 3- nitrophenyl)methylidene]- 3- methylthiophene- 2- carbohydrazide
Smiles: N#Cc1c(N)sc(c1C)C(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])O

STK757715
Synonyms: 2- (azepan- 1- yl)- N'- [(E)- (2- fluorophenyl)methylidene]- 2- oxoacetohydrazide
Smiles: O=C(C(=O)N/N=C/c1ccccc1F)N1CCCCCC1

STK674188
Synonyms: methyl4- [3- ({(E)- [4- (methoxycarbonyl)phenyl]methylidene}amino)- 4- oxo- 1- (propan- 2- yl)imidazolidin- 2- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/N1C(=O)CN(C1c1ccc(cc1)C(=O)OC)C(C)C

STK757718
Synonyms: ethyl2,5,6- trimethyl- 4H- thieno[3,2- b]pyrrole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)sc2c1[nH]c(c2C)C

STK757721
Synonyms: N- (4- tert- butyl- 3- cyano- 1- methyl- 1H- pyrrol- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)C)n(cc1C(C)(C)C)C

STK757726
Synonyms: N,N'- [(3,4- dimethoxyphenyl)methanediyl]bis(2- phenylacetamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1

STK757727
Synonyms: 4- bromo- 2- (morpholin- 4- ylcarbonothioyl)phenyl4- methylbenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCOCC1)OC(=O)c1ccc(cc1)C

STK674202
Synonyms: 2,5- dimethyl- 3,4- dihydro- 2H- cyclopenta[e][1,2,4]triazine- 6,6,7,7- tetracarbonitrile
Smiles: N#CC1(C#N)C2=NN(C)CNC2=C(C1(C#N)C#N)C

STK757741
Synonyms: N- (2,5- dimethylphenyl)- Nalpha- (phenoxycarbonyl)phenylalaninamide
Smiles: O=C(NC(C(=O)Nc1cc(C)ccc1C)Cc1ccccc1)Oc1ccccc1

STK757742
Synonyms: 2- ethoxy- 4- (piperidin- 1- ylcarbonothioyl)phenyl4- bromobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(cc1)Br)C(=S)N1CCCCC1

STK757750
Synonyms: 4- [(4- oxo- 3,4- dihydroquinolin- 1(2H)- yl)carbonyl]- N,N- dipropylbenzenesulfonamide
Smiles: CCCN(S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(=O)c2c1cccc2)CCC

STK757754
Synonyms: N,N'- [(4- butoxyphenyl)methanediyl]bis(2- phenylacetamide)
Smiles: CCCCOc1ccc(cc1)C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1

STK757755
Synonyms: (2E,2'E)- N,N'- (1,3- benzodioxol- 5- ylmethanediyl)bis(3- phenylprop- 2- enamide)
Smiles: O=C(NC(c1ccc2c(c1)OCO2)NC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1

STK674205
Synonyms: 3,5- dibromo- 2- hydroxy- N'- {(E)- [1- (4- iodophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}benzohydrazide
Smiles: Ic1ccc(cc1)n1c(C)cc(c1C)/C=N/NC(=O)c1cc(Br)cc(c1O)Br

STK757764
Synonyms: (2E)- 2- cyano- 3- {4- [(2,4- dichlorobenzyl)oxy]- 3- iodo- 5- methoxyphenyl}prop- 2- enamide
Smiles: N#C/C(=C\c1cc(I)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C(=O)N

STK674208
Synonyms: 1- (2,4- dichlorobenzyl)- 2- (ethylsulfanyl)- 1H- benzimidazole
Smiles: CCSc1nc2c(n1Cc1ccc(cc1Cl)Cl)cccc2

STK674213
Synonyms: 4- [({6- [(2,2,3,3- tetrafluoropropoxy)carbonyl]cyclohex- 3- en- 1- yl}carbonyl)amino]benzoicacid
Smiles: FC(C(COC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)C(=O)O)(F)F)F

STK757780
Synonyms: 2- (methylsulfanyl)- N- {(E)- [5- (phenylsulfanyl)furan- 2- yl]methylidene}- 1,3- benzothiazol- 6- amine
Smiles: CSc1nc2c(s1)cc(cc2)/N=C/c1ccc(o1)Sc1ccccc1

STK757784
Synonyms: ethyl4- [(5- bromo- 2,3- dioxo- 2,3- dihydro- 1H- indol- 1- yl)methyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)CN1c2ccc(cc2C(=O)C1=O)Br

STK757791
Synonyms: 3- (dimethylamino)- 4- hydroxy- 4,5- dimethyl- 5- (4- methylpent- 3- en- 1- yl)- 1,3- oxazolidin- 2- one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)N(C)C)C

STK674219
Synonyms: butyl4- ({[2- (1H- imidazol- 2- ylcarbonyl)phenyl]carbonyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)c1ncc[nH]1

STK757797
Synonyms: ethyl3- [(4- methylphenyl)sulfonyl]imidazolidine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(C1)S(=O)(=O)c1ccc(cc1)C

STK757800
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 2- [(5- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetamide
Smiles: CCc1nnc(s1)NC(=O)CSc1nnc([nH]1)C

STK674224
Synonyms: 2,2'- piperazine- 1,4- diylbis{N- [5- ({2- [(4- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]acetamide}
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C)CN1CCN(CC1)CC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C

STK674225
Synonyms: 2,2'- piperazine- 1,4- diylbis{N- [5- ({2- [(4- acetylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]acetamide}
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C)CN1CCN(CC1)CC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C

STK757812
Synonyms: methyl2- amino- 4- (3,4- dimethoxyphenyl)- 1- (4- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CCC2

STK674231
Synonyms: [(dimethylamino)methyl]{[methyl(methylsulfonyl)amino]methyl}phosphinicacid
Smiles: CN(CP(=O)(CN(S(=O)(=O)C)C)O)C

STK757824
Synonyms: 4- hydroxy- 4,5- dimethyl- 5- (4- methylpent- 3- en- 1- yl)- 3- (pyridin- 3- ylmethyl)- 1,3- oxazolidin- 2- one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)Cc1cccnc1)C

STK674233
Synonyms: 4- hydroxy- 4,5- dimethyl- 5- (4- methylpent- 3- en- 1- yl)- 3- (prop- 2- en- 1- yl)- 1,3- oxazolidin- 2- one
Smiles: C=CCN1C(=O)OC(C1(C)O)(C)CCC=C(C)C

STK757825
Synonyms: 3- (dimethylamino)- 3a,6a- dimethyl- 4- (prop- 1- en- 2- yl)hexahydro- 2H- cyclopenta[d][1,3]oxazol- 2- one
Smiles: CC(=C)C1CCC2(C1(C)N(N(C)C)C(=O)O2)C

STK674236
Synonyms: 4- [(3- acetylphenyl)amino]- N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 3,5- dinitrobenzamide
Smiles: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Nc1cccc(c1)C(=O)C

STK757837
Synonyms: N- (furan- 2- ylmethyl)- 2- (1H- imidazol- 2- ylcarbonyl)benzamide
Smiles: O=C(c1ccccc1C(=O)c1ncc[nH]1)NCc1ccco1

STK757844
Synonyms: N- (2,6- dichlorophenyl)- 2,2- diphenylcyclopropanecarboxamide
Smiles: O=C(C1CC1(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl

STK757847
Synonyms: methyl4- {[(7- amino- 7H- [1,2,4]triazolo[4,3- b][1,2,4]triazol- 3- yl)sulfanyl]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1nnc2n1ncn2N

STK674246
Synonyms: (2E)- 5- ethoxy- 2- {[(2- methylpropyl)amino]methylidene}- 1- benzothiophen- 3(2H)- one
Smiles: CCOc1ccc2c(c1)C(=O)/C(=C\NCC(C)C)/S2

STK674256
Synonyms: 1- (thiophen- 2- ylcarbonyl)- 2,3- dihydroquinolin- 4(1H)- one
Smiles: O=C(N1CCC(=O)c2c1cccc2)c1cccs1

STK757862
Synonyms: 2- {[(E)- {4- [(2,4- dichlorobenzyl)oxy]phenyl}methylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(cc2)OCc2ccc(cc2Cl)Cl)sc2c1CCCC2

STK757865
Synonyms: (2E)- 2- [(6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 6,7- dimethyl[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Brc1cc2OCOc2cc1/C=c\1/sc2n(c1=O)c1c(n2)cc(c(c1)C)C

STK674259
Synonyms: 4- (4- methyl- 3- nitrophenyl)- N- (2- methylphenyl)- 1,3- thiazol- 2- amine
Smiles: Cc1ccccc1Nc1scc(n1)c1ccc(c(c1)[N+](=O)[O-])C

STK674261
Synonyms: 3,3'- [benzene- 1,4- diylbis(oxy)]bis[1- (4- benzylpiperazin- 1- yl)propan- 2- ol]
Smiles: OC(CN1CCN(CC1)Cc1ccccc1)COc1ccc(cc1)OCC(CN1CCN(CC1)Cc1ccccc1)O

STK674270
Synonyms: ethyl1- (biphenyl- 4- ylcarbonyl)- 5- hydroxy- 3- methyl- 4,5- dihydro- 1H- pyrazole- 5- carboxylate
Smiles: CCOC(=O)C1(O)CC(=NN1C(=O)c1ccc(cc1)c1ccccc1)C

STK757887
Synonyms: N- (3,4- dimethylphenyl)- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- amine
Smiles: Cc1ccc(cc1C)Nc1nc2c(s1)CCCC2

STK757888
Synonyms: N- (3- methylphenyl)- 5,6- dihydro- 4H- cyclopenta[d][1,3]thiazol- 2- amine
Smiles: Cc1cccc(c1)Nc1sc2c(n1)CCC2

STK674271
Synonyms: 2,2'- {benzene- 1,3- diylbis[carbonylimino(3- chlorobenzene- 4,1- diyl)]}bis(1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid)
Smiles: O=C(c1cccc(c1)C(=O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK674274
Synonyms: 2- chloro- 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1Cl)N1C(=O)c2c(C1=O)cccc2

STK674276
Synonyms: ethyl[5- (dinitromethyl)- 4H- 1,2,4- triazol- 3- yl]acetate
Smiles: CCOC(=O)Cc1nnc([nH]1)C([N+](=O)[O-])[N+](=O)[O-]

STK757900
Synonyms: 3- {(2E)- 2- [4- (benzyloxy)- 3- methoxybenzylidene]hydrazinyl}- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: COc1cc(/C=N/Nc2nnc(n2N)C)ccc1OCc1ccccc1

STK757906
Synonyms: 2- [(E)- (2- {4- (4- benzylpiperidin- 1- yl)- 6- [(4- methylphenyl)amino]- 1,3,5- triazin- 2- yl}hydrazinylidene)methyl]phenol
Smiles: Cc1ccc(cc1)Nc1nc(N/N=C/c2ccccc2O)nc(n1)N1CCC(CC1)Cc1ccccc1

STK757912
Synonyms: 1- [(E)- {2- [4- (benzylamino)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]hydrazinylidene}methyl]naphthalen- 2- ol
Smiles: Oc1ccc2c(c1/C=N/Nc1nc(NCc3ccccc3)nc(n1)N1CCOCC1)cccc2

STK757913
Synonyms: 4- [(2E)- 2- (1,3- benzodioxol- 5- ylmethylidene)hydrazinyl]- N- benzyl- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- amine
Smiles: O1CCN(CC1)c1nc(N/N=C/c2ccc3c(c2)OCO3)nc(n1)NCc1ccccc1

STK757914
Synonyms: 4- bromo- 2- [(E)- (2- {4- [(furan- 2- ylmethyl)amino]- 6- [(4- methoxyphenyl)amino]- 1,3,5- triazin- 2- yl}hydrazinylidene)methyl]phenol
Smiles: COc1ccc(cc1)Nc1nc(N/N=C/c2cc(Br)ccc2O)nc(n1)NCc1ccco1

STK674291
Synonyms: 2- [(E)- (2- {4- [(2- bromo- 4- methylphenyl)amino]- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl}hydrazinylidene)methyl]- 6- nitrophenol
Smiles: Cc1ccc(c(c1)Br)Nc1nc(N/N=C/c2cccc(c2O)[N+](=O)[O-])nc(n1)N1CCOCC1

STK674292
Synonyms: 4- [(2Z)- 2- {[5- (2,3- dichlorophenyl)furan- 2- yl]methylidene}hydrazinyl]- N- (4- fluorophenyl)- 6- (piperidin- 1- yl)- 1,3,5- triazin- 2- amine
Smiles: Fc1ccc(cc1)Nc1nc(N/N=C\c2ccc(o2)c2cccc(c2Cl)Cl)nc(n1)N1CCCCC1

STK674298
Synonyms: 5- {5- [(E)- {2- [4,6- bis(phenylamino)- 1,3,5- triazin- 2- yl]hydrazinylidene}methyl]furan- 2- yl}- 2- hydroxybenzoicacid
Smiles: OC(=O)c1cc(ccc1O)c1ccc(o1)/C=N/Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1

STK674306
Synonyms: N- (4- fluorophenyl)- 4- (morpholin- 4- yl)- 6- {(2Z)- 2- [2- (trifluoromethyl)benzylidene]hydrazinyl}- 1,3,5- triazin- 2- amine
Smiles: Fc1ccc(cc1)Nc1nc(N/N=C\c2ccccc2C(F)(F)F)nc(n1)N1CCOCC1

STK757939
Synonyms: 6- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- N- (4- fluorophenyl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(cc1)N(C)C

STK674310
Synonyms: N- (4- iodophenyl)- 6- {(2E)- 2- [(6- nitro- 1,3- benzodioxol- 5- yl)methylidene]hydrazinyl}[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

STK674311
Synonyms: N- (4- iodophenyl)- 6- {(2E)- 2- [4- (morpholin- 4- yl)benzylidene]hydrazinyl}[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(cc1)N1CCOCC1

STK757940
Synonyms: N- (4- iodophenyl)- 6- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl][1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: COc1ccc(cc1)/C=N/Nc1nc2nonc2nc1Nc1ccc(cc1)I

STK674312
Synonyms: 2- [(E)- (2- {6- [(4- iodophenyl)amino][1,2,5]oxadiazolo[3,4- b]pyrazin- 5- yl}hydrazinylidene)methyl]- 4- nitrophenol
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK757941
Synonyms: 6- [(2E)- 2- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}hydrazinyl]- N- (4- fluorophenyl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Fc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(o1)c1ccc(cc1Cl)Cl

STK674313
Synonyms: N,N'- bis{(E)- [3- (trifluoromethyl)phenyl]methylidene}- 4H,8H- bis[1,2,5]oxadiazolo[3,4- b:3',4'- e]pyrazine- 4,8- diamine
Smiles: FC(c1cccc(c1)/C=N/n1c2nonc2n(c2c1non2)/N=C/c1cccc(c1)C(F)(F)F)(F)F

STK674314
Synonyms: 2- [(E)- (2- {6- [(4- iodophenyl)amino][1,2,5]oxadiazolo[3,4- b]pyrazin- 5- yl}hydrazinylidene)methyl]- 4,6- dinitrophenol
Smiles: Ic1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

STK674315
Synonyms: 5- {5- [(E)- (2- {6- [(4- bromophenyl)amino][1,2,5]oxadiazolo[3,4- b]pyrazin- 5- yl}hydrazinylidene)methyl]furan- 2- yl}- 2- hydroxybenzoicacid
Smiles: Brc1ccc(cc1)Nc1nc2nonc2nc1N/N=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)O

STK674316
Synonyms: 6- [(2E)- 2- (3- bromo- 4- methoxybenzylidene)hydrazinyl]- N- (4- iodophenyl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: COc1ccc(cc1Br)/C=N/Nc1nc2nonc2nc1Nc1ccc(cc1)I

STK757944
Synonyms: 2- [5- (2- cyanophenyl)- 2H- tetrazol- 2- yl]- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: N#Cc1ccccc1c1nnn(n1)CC(=O)N/N=C/c1ccccc1

STK674320
Synonyms: N'- [(E)- (2- hydroxy- 5- nitrophenyl)methylidene]- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK757959
Synonyms: N'- [(E)- (4- fluorophenyl)methylidene]- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1ccc(cc1)F

STK757961
Synonyms: N'- [(E)- (2- fluorophenyl)methylidene]- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: O=C(Cn1nnc(n1)c1ccccc1)N/N=C/c1ccccc1F

STK757964
Synonyms: methyl3- [(E)- {(2Z)- [amino(methylsulfanyl)methylidene]hydrazinylidene}methyl]- 2- hydroxybenzoate
Smiles: COC(=O)c1cccc(c1O)/C=N/N=C(\SC)/N

STK674326
Synonyms: 3- hydroxy- 3- (3- hydroxy- 1- oxo- 1- phenylbut- 3- en- 2- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: OC(=C)C(C1(O)C(=O)Nc2c1cccc2)C(=O)c1ccccc1

STK757978
Synonyms: 4- chloro- N- {4- hydroxy- 3- [(4- methylphenyl)sulfonyl]naphthalen- 1- yl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(cc2)Cl)c2c(c1O)cccc2

STK757980
Synonyms: Nalpha- [(benzyloxy)carbonyl]- N- (3- methylphenyl)tryptophanamide
Smiles: O=C(NC(C(=O)Nc1cccc(c1)C)Cc1c[nH]c2c1cccc2)OCc1ccccc1

STK757982
Synonyms: 4- hydroxy- 4- methyl- 3- (pyridin- 2- ylmethyl)- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: O=C1OC2(C(N1Cc1ccccn1)(C)O)CCCCC2

STK674335
Synonyms: 2- (4- amino- 3,5- dichlorophenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cc(Cl)c(c(c1)Cl)N

STK674336
Synonyms: 2- (4- carboxy- 3- chlorophenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)Cl)C(=O)O

STK757983
Synonyms: 2- amino- 4- (4- hydroxy- 3- methoxyphenyl)- 7,7- dimethyl- 3- nitro- 4,6,7,8- tetrahydro- 5H- chromen- 5- one
Smiles: COc1cc(ccc1O)C1C2=C(OC(=C1[N+](=O)[O-])N)CC(CC2=O)(C)C

STK757988
Synonyms: 2- amino- 1- (3- cyano- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophen- 2- yl)- 4- (4- fluorophenyl)- 7,7- dimethyl- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C)c1sc2c(c1C#N)CCCCC2

STK757991
Synonyms: 4- (2,4- dimethylbenzyl)- 2,5- dimethylpyridine
Smiles: Cc1ccc(c(c1)C)Cc1cc(C)ncc1C

STK674341
Synonyms: 2,1- benzoxaborol- 1(3H)- ol
Smiles: OB1OCc2c1cccc2

STK757992
Synonyms: 7- {[(6S)- 6- hydroxy- 2,5,5,8a- tetramethyl- 1,4,4a,5,6,7,8,8a- octahydronaphthalen- 1- yl]methoxy}- 2H- chromen- 2- one
Smiles: CC1=CCC2C(C1COc1ccc3c(c1)oc(=O)cc3)(C)CC[C@@H](C2(C)C)O

STK674344
Synonyms: methyl4- ({[4- amino- 3- (methylsulfanyl)- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)Cn1nc(n(c1=S)N)SC

STK674345
Synonyms: (6,6- dimethyl- 4- oxo- 2- phenyl- 4,5,6,7- tetrahydro- 1H- indol- 1- yl)aceticacid
Smiles: OC(=O)Cn1c(cc2c1CC(C)(C)CC2=O)c1ccccc1

STK758006
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(1H- benzimidazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: NNC(=O)c1nnn(c1CSc1nc2c([nH]1)cccc2)c1nonc1N

STK674349
Synonyms: 2- {[2,2- bis(trifluoromethyl)aziridin- 1- yl]oxy}- 2- methylpropanediamide
Smiles: NC(=O)C(C(=O)N)(ON1CC1(C(F)(F)F)C(F)(F)F)C

STK758016
Synonyms: N- (2- phenyl- 1H- benzimidazol- 6- yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)[nH]c(n2)c1ccccc1

STK758021
Synonyms: 2- {[6- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 1,3- benzothiazol- 2- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)N1C(=O)c2c(C1=O)cccc2)NCCc1ccccc1

STK758028
Synonyms: 3- [(4- benzylpiperazin- 1- yl)carbonyl]- 8- (prop- 2- en- 1- yl)- 2H- chromen- 2- one
Smiles: C=CCc1cccc2c1oc(=O)c(c2)C(=O)N1CCN(CC1)Cc1ccccc1

STK758029
Synonyms: 3- benzyl- 5- (1H- imidazol- 5- ylmethyl)- 2- thioxoimidazolidin- 4- one
Smiles: S=C1NC(C(=O)N1Cc1ccccc1)Cc1cnc[nH]1

STK674365
Synonyms: (2E)- 2- {3,5- dibromo- 4- [(4- methylbenzyl)oxy]benzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1ccc(cc1)COc1c(Br)cc(cc1Br)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK758037
Synonyms: 4- bromo- N- (2- {[2- (cyclohexylamino)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)benzamide
Smiles: O=C(NC1CCCCC1)CSc1sc2c(n1)ccc(c2)NC(=O)c1ccc(cc1)Br

STK758040
Synonyms:
Smiles: O=C1[C@@H]2OC[C@@H](O2)[C@@H]2[C@H]1C1C=CC2C1

STK674370
Synonyms: 1- (3- bromobenzyl)- 2- (ethylsulfanyl)- 1H- benzimidazole
Smiles: CCSc1nc2c(n1Cc1cccc(c1)Br)cccc2

STK674376
Synonyms: methyl4- ({[(6- {[(E)- {4- [(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]- 3- nitrophenyl}methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]acetyl}amino)benzoate
Smiles: CCOc1ccc2c(c1)sc(n2)Sc1ccc(cc1[N+](=O)[O-])/C=N/c1ccc2c(c1)sc(n2)SCC(=O)Nc1ccc(cc1)C(=O)OC

STK758054
Synonyms: 5- amino- 3- [(Z)- 1- cyano- 2- (3- nitrophenyl)ethenyl]- 1- (2- hydroxyethyl)- 1H- pyrazole- 4- carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cccc(c1)[N+](=O)[O-])/C#N

STK674380
Synonyms: N- [(2- methylfuran- 3- yl)carbonyl]methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1ccoc1C

STK758060
Synonyms: 3- methyl- 4,6- diphenyl- 4,5- dihydro- 1H- indazole
Smiles: Cc1n[nH]c2c1C(CC(=C2)c1ccccc1)c1ccccc1

STK674383
Synonyms: (2E)- 2- [3- methoxy- 4- (1H- tetrazol- 5- ylmethoxy)benzylidene][1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(ccc1OCc1nnn[nH]1)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK758068
Synonyms: 1- amino- 3- (3- bromophenyl)pyrido[1,2- a]benzimidazole- 2,4- dicarbonitrile
Smiles: N#Cc1c(c2cccc(c2)Br)c(C#N)c(n2c1nc1c2cccc1)N

STK674387
Synonyms: 3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- hydroxy- 4,5,5- trimethyl- 1,3- oxazolidin- 2- one
Smiles: COc1cc(CCN2C(=O)OC(C2(C)O)(C)C)ccc1OC

STK674388
Synonyms: (E)- N'- nitro- 2- (3- nitrophenyl)diazenecarboximidamide
Smiles: [O-][N+](=O)/N=C(/N=N/c1cccc(c1)[N+](=O)[O-])\N

STK674389
Synonyms: 2,3- difluoronaphthalene- 1- carboxylicacid
Smiles: OC(=O)c1c(F)c(F)cc2c1cccc2

STK674390
Synonyms: methyl2- [({[(5- bromofuran- 2- yl)carbonyl]oxy}acetyl)amino]- 1,3- benzothiazole- 6- carboxylate
Smiles: COC(=O)c1ccc2c(c1)sc(n2)NC(=O)COC(=O)c1ccc(o1)Br

STK674392
Synonyms: 4- {5- [3- (2,4- dichlorophenoxy)propyl]- 1,2,4- oxadiazol- 3- yl}- 1,2,5- oxadiazol- 3- amine
Smiles: Clc1ccc(c(c1)Cl)OCCCc1onc(n1)c1nonc1N

STK758084
Synonyms: N~2~,N~4~- bis(furan- 2- ylmethyl)- N~6~- (4- nitrophenyl)- 1,3,5- triazine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1ccc(cc1)Nc1nc(NCc2ccco2)nc(n1)NCc1ccco1

STK758095
Synonyms: 4- acetyl- 7- imino- 2,2,5- trimethyl- 6- oxabicyclo[3.2.1]oct- 3- ene- 1,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(C2(C#N)C#N)(C(=CC1(C)C)C(=O)C)C

STK674394
Synonyms: 3'- amino- 5'- methyl- 4',7'- dihydrospiro[1,3- dioxolane- 2,1'- isoindole]- 3a',7a'- dicarbonitrile
Smiles: N#CC12CC=C(CC2(C#N)C(=NC21OCCO2)N)C

STK758096
Synonyms: 5- acetyl- 6- methyl- 4- (2- methylpropyl)- 2- [(3- nitrobenzyl)sulfanyl]- 1,4- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCc2cccc(c2)[N+](=O)[O-])NC(=C(C1CC(C)C)C(=O)C)C

STK674402
Synonyms: 4- cyano- 3,4- dideoxy- 3- (2- methylphenyl)- 1- phenyl- 2- thio- D- erythro- pent- 4- enodialdo- 5,2- furanosylamine
Smiles: N#CC1=C(N)S[C@H]([C@@H]1c1ccccc1C)C(=O)c1ccccc1

STK674403
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dipropan- 2- ylamino)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN(C(C)C)C(C)C)c1nonc1N

STK674404
Synonyms: 4- [(Z)- {2- [(6- chloro- 2- methylimidazo[1,2- a]pyridin- 3- yl)carbonyl]hydrazinylidene}methyl]benzoicacid
Smiles: O=C(c1c(C)nc2n1cc(Cl)cc2)N/N=C\c1ccc(cc1)C(=O)O

STK758116
Synonyms: N- (2,5- dichlorophenyl)- 2- {(2E)- 2- [(2- hydroxynaphthalen- 1- yl)methylidene]hydrazinyl}- 2- oxoacetamide
Smiles: Clc1ccc(c(c1)NC(=O)C(=O)N/N=C/c1c(O)ccc2c1cccc2)Cl

STK674409
Synonyms: 2,5- dimethyl- 4- phenyl- 1- (propan- 2- yl)piperidin- 4- ylbenzoate
Smiles: CC(N1CC(C)C(CC1C)(OC(=O)c1ccccc1)c1ccccc1)C

STK758118
Synonyms: 2- [5- (3- chlorophenyl)furan- 2- yl]- 4,5- diphenyl- 1H- imidazole
Smiles: Clc1cccc(c1)c1ccc(o1)c1nc(c([nH]1)c1ccccc1)c1ccccc1

STK758121
Synonyms: 5- (2- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C=CCn1c(=S)[nH]nc1c1ccccc1OC

STK674414
Synonyms: 2,2,2- trifluoroethyl4- [(2,6- dimethoxypyrimidin- 4- yl)amino]- 4- oxobutanoate
Smiles: COc1cc(NC(=O)CCC(=O)OCC(F)(F)F)nc(n1)OC

STK758125
Synonyms: diethyl(4- hydroxyphenyl)phosphonate
Smiles: CCOP(=O)(c1ccc(cc1)O)OCC

STK758140
Synonyms: 5- (4- fluorophenyl)- 2- (4- methoxyphenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F

STK758141
Synonyms: 1,3- dioxo- 2- {4- [oxo(phenyl)acetyl]phenyl}- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1

STK758142
Synonyms: 5- (4- fluorophenyl)- 2- [4- (methylsulfanyl)phenyl]- 4- phenyl- 1H- imidazole
Smiles: CSc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F

STK758143
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- (4- fluorophenyl)- 4- phenyl- 1H- imidazole
Smiles: COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccccc1)c1ccc(cc1)F

STK674419
Synonyms: 2- methyl- 2,7- diazaspiro[4.4]nonane- 1,3,8- trione
Smiles: O=C1NCC2(C1)CC(=O)N(C2=O)C

STK674428
Synonyms: 6',6'- dimethyl- 2- phenyl- 2'- thioxo- 2,2',3,3',5',6'- hexahydro- 1'H- spiro[chromene- 4,4'- pyrimidin]- 7- ylacetate
Smiles: CC(=O)Oc1ccc2c(c1)OC(CC12NC(=S)NC(C1)(C)C)c1ccccc1

STK758153
Synonyms: N~1~- {(E)- [3,5- diiodo- 2- (prop- 2- yn- 1- yloxy)phenyl]methylidene}- 1H- tetrazole- 1,5- diamine
Smiles: C#CCOc1c(/C=N/n2nnnc2N)cc(cc1I)I

STK758160
Synonyms: 4- bromo- N- (2- {[2- (cyclopropylamino)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)benzamide
Smiles: O=C(NC1CC1)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1)Br

STK674433
Synonyms: N- (2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)- 4- butoxybenzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)sc(n2)SCC(=O)c1ccc(cc1)Br

STK758172
Synonyms: methyl2- amino- 1- (4- chlorophenyl)- 4- (4- methoxyphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)Cl)C(=O)OC

STK758174
Synonyms: methyl2- amino- 4- (4- methoxyphenyl)- 1- (4- methylphenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)C)C(=O)OC

STK758176
Synonyms: methyl2- amino- 4- (3,4- dimethoxyphenyl)- 7,7- dimethyl- 5- oxo- 1- (4- sulfamoylphenyl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carboxylate
Smiles: COC(=O)C1=C(N)N(c2ccc(cc2)S(=O)(=O)N)C2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

STK674438
Synonyms: N- [2- (4- chlorophenoxy)ethyl]- 2- [(6- {[(E)- (2- hydroxynaphthalen- 1- yl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]acetamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2)NCCOc1ccc(cc1)Cl

STK674441
Synonyms: N'- [(E)- (4- hydroxy- 3,5- diiodophenyl)methylidene]- 4- (4- hydroxyphenoxy)benzohydrazide
Smiles: Oc1ccc(cc1)Oc1ccc(cc1)C(=O)N/N=C/c1cc(I)c(c(c1)I)O

STK674445
Synonyms: 3,3'- [oxybis(1,3- dioxo- 1,3- dihydro- 2H- isoindole- 5,2- diyl)]bis(6- chlorobenzoicacid)
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(c(c1)C(=O)O)Cl)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C(=O)O)Cl

STK674446
Synonyms: 2- chloro- 5- (5- {(Z)- [1- (4- fluorophenyl)- 3,5- dioxopyrazolidin- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Fc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O

STK674448
Synonyms: 5- (5- {(Z)- [1- (4- bromophenyl)- 3,5- dioxopyrazolidin- 4- ylidene]methyl}furan- 2- yl)- 2- chlorobenzoicacid
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O

STK674449
Synonyms: 2- chloro- 5- (5- {(Z)- [1- (3,4- dimethylphenyl)- 3,5- dioxopyrazolidin- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: O=C1NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)C)C

STK674451
Synonyms: 2- (3- {[(1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)oxy]carbonyl}phenyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cccc2)ON1C(=O)c2c(C1=O)cccc2

STK758183
Synonyms: 1- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3- (1,1,1,3,3,3- hexafluoro- 2- methylpropan- 2- yl)urea
Smiles: CCSc1nnc(s1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)C

STK758185
Synonyms: N- [4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1scc(n1)c1cccc2c1cccc2

STK758188
Synonyms: (2E)- 3- {4- [(2,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}- 2- (5- methyl- 1H- benzimidazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1Cl)Cl)/c1nc2c([nH]1)ccc(c2)C

STK758208
Synonyms: 5- amino- 3- {(Z)- 2- [2- (benzyloxy)- 5- bromophenyl]- 1- cyanoethenyl}- 1- (2- hydroxyethyl)- 1H- pyrazole- 4- carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)ccc1OCc1ccccc1)/C#N

STK758209
Synonyms: N- benzyl- 4- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- amine
Smiles: Brc1ccc(cc1)/C=N/Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1

STK758215
Synonyms: 4- [2- (2- methyl- 5- nitro- 1H- imidazol- 1- yl)ethoxy]- 1,2,5- oxadiazol- 3- amine
Smiles: [O-][N+](=O)c1cnc(n1CCOc1nonc1N)C

STK758216
Synonyms: 3- methyl- 4- [2- (2- methyl- 5- nitro- 1H- imidazol- 1- yl)ethoxy]- 1,2,5- oxadiazole
Smiles: [O-][N+](=O)c1cnc(n1CCOc1nonc1C)C

STK758217
Synonyms: 5- amino- 3- [(Z)- 1- cyano- 2- (4- ethoxy- 3- methoxyphenyl)ethenyl]- 1- (2- hydroxyethyl)- 1H- pyrazole- 4- carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(c(c1)OC)OCC)/C#N

STK758221
Synonyms: (2E)- 2- {[5- (4- methoxy- 2- nitrophenyl)furan- 2- yl]methylidene}- N'- nitrohydrazinecarboximidamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/N/C(=N/[N+](=O)[O-])/N

STK674457
Synonyms: 5- (5- bromo- 2- hydroxy- 3- nitrophenyl)- 2,2- dimethyl- 2,3,5,6- tetrahydrobenzo[a]phenanthridin- 4(1H)- one
Smiles: Brc1cc(C2Nc3ccc4c(c3C3=C2C(=O)CC(C3)(C)C)cccc4)c(c(c1)[N+](=O)[O-])O

STK674458
Synonyms: 5- amino- 3- [(Z)- 2- {3- bromo- 4- [(2,4- dichlorobenzyl)oxy]- 5- methoxyphenyl}- 1- cyanoethenyl]- 1- (2- hydroxyethyl)- 1H- pyrazole- 4- carbonitrile
Smiles: OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)c(c(c1)OC)OCc1ccc(cc1Cl)Cl)/C#N

STK758228
Synonyms: [4- (2- fluoro- 5- methyl- 4- nitrophenyl)piperazin- 1- yl](phenyl)methanone
Smiles: Fc1cc([N+](=O)[O-])c(cc1N1CCN(CC1)C(=O)c1ccccc1)C

STK758233
Synonyms: 3- [(1,1- dioxido- 1,2- benzothiazol- 3- yl)amino]propyl3- phenylpropanoate
Smiles: O=C(CCc1ccccc1)OCCCNC1=NS(=O)(=O)c2c1cccc2

STK758236
Synonyms: 1- (naphthalen- 1- ylmethyl)- 5'- phenyl- 3'H- spiro[indole- 3,2'- [1,3,4]thiadiazol]- 2(1H)- one
Smiles: O=C1N(Cc2cccc3c2cccc3)c2c(C31NN=C(S3)c1ccccc1)cccc2

STK674460
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(4- bromo- 1- methyl- 1H- pyrazol- 3- yl)carbonyl]- 4- (methoxymethyl)- 1H- 1,2,3- triazole- 5- carbohydrazide
Smiles: COCc1nnn(c1C(=O)NNC(=O)c1nn(cc1Br)C)c1nonc1N

STK758237
Synonyms: 7,7,8a- trimethyl- 3- (propan- 2- yl)- 5- thioxotetrahydro- 5H- [1,3]oxazolo[3,2- c]pyrimidin- 2(3H)- one
Smiles: CC(C1C(=O)OC2(N1C(=S)NC(C2)(C)C)C)C

STK758248
Synonyms: 2- (morpholin- 4- ylcarbonothioyl)phenyl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1C(=S)N1CCOCC1

STK758249
Synonyms: 2- methoxy- 4- (piperidin- 1- ylcarbonothioyl)phenyl3- nitrobenzoate
Smiles: COc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])C(=S)N1CCCCC1

STK674462
Synonyms: ethyl5- hydroxy- 3- methyl- 1- [(3- methylphenyl)carbonyl]- 4,5- dihydro- 1H- pyrazole- 5- carboxylate
Smiles: CCOC(=O)C1(O)CC(=NN1C(=O)c1cccc(c1)C)C

STK758255
Synonyms: 5- (3- chlorophenyl)- N- (naphthalen- 2- yl)- 4- (trifluoromethyl)- 1,3- thiazol- 2- amine
Smiles: Clc1cccc(c1)c1sc(nc1C(F)(F)F)Nc1ccc2c(c1)cccc2

STK758258
Synonyms: 5- (4- fluorophenyl)- N- phenyl- 4- (trifluoromethyl)- 1,3- thiazol- 2- amine
Smiles: Fc1ccc(cc1)c1sc(nc1C(F)(F)F)Nc1ccccc1

STK758292
Synonyms: N'- [(E)- (4- ethoxy- 3- iodo- 5- methoxyphenyl)methylidene]- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: CCOc1c(I)cc(cc1OC)/C=N/NC(=O)Cn1nnc(n1)c1ccccc1

STK758309
Synonyms: (5E)- 5- (3,5- dibromo- 4- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1c(Br)cc(cc1Br)/C=C\1/SC(=S)NC1=O

STK674475
Synonyms: {4- [(E)- (2- {4- [(4- fluorophenyl)amino]- 6- (piperidin- 1- yl)- 1,3,5- triazin- 2- yl}hydrazinylidene)methyl]- 2- methoxyphenoxy}aceticacid
Smiles: COc1cc(/C=N/Nc2nc(Nc3ccc(cc3)F)nc(n2)N2CCCCC2)ccc1OCC(=O)O

STK758320
Synonyms: N'- {(E)- [5- bromo- 2- (propan- 2- yloxy)phenyl]methylidene}- 2- (5- phenyl- 2H- tetrazol- 2- yl)acetohydrazide
Smiles: CC(Oc1ccc(cc1/C=N/NC(=O)Cn1nnc(n1)c1ccccc1)Br)C

STK674480
Synonyms: (5E)- 5- [3- bromo- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2cccc3c2cccc3)/S1

STK674484
Synonyms: (2E,5E)- 3- benzyl- 2- (benzylimino)- 5- (3- bromo- 4,5- dimethoxybenzylidene)- 1,3- thiazolidin- 4- one
Smiles: COc1c(Br)cc(cc1OC)/C=C\1/S/C(=N/Cc2ccccc2)/N(C1=O)Cc1ccccc1

STK758345
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (3,4- dihydroquinolin- 1(2H)- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1CCCc2c1cccc2)c1nonc1N

STK674485
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: OC(=O)c1nnn(c1C)c1nonc1N

STK674486
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- phenyl- 1H- 1,2,3- triazole- 4- carboxylicacid
Smiles: OC(=O)c1nnn(c1c1ccccc1)c1nonc1N

STK758348
Synonyms: N- [5- bromo- 3- (methylsulfanyl)- 1,2- thiazol- 4- yl]- 2,2,2- trifluoroacetamide
Smiles: CSc1nsc(c1NC(=O)C(F)(F)F)Br

STK758357
Synonyms: 2,2'- ([1,2,4]triazolo[3,4- b][1,3,4]thiadiazole- 3,6- diyldisulfanediyl)bis[N- (4- acetylphenyl)acetamide]
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nn2c(s1)nnc2SCC(=O)Nc1ccc(cc1)C(=O)C

STK758359
Synonyms: 2- [(4,6- diphenylpyrimidin- 2- yl)sulfanyl]- N- (4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)acetamide
Smiles: O=C(NC1=NC(=O)CS1)CSc1nc(cc(n1)c1ccccc1)c1ccccc1

STK758360
Synonyms: 6- chloro- N- cyclopentyl- N'- (4- methoxyphenyl)- 1,3,5- triazine- 2,4- diamine
Smiles: COc1ccc(cc1)Nc1nc(Cl)nc(n1)NC1CCCC1

STK758363
Synonyms: (5Z)- 2- imino- 5- [(3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 1,3- thiazolidin- 4- one
Smiles: O=C1NC(=N)S/C/1=C\c1c[nH]nc1c1ccccc1

STK758364
Synonyms: 5- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 5- nitrophenyl]- 1H- tetrazole
Smiles: Cc1nn(c(c1)C)c1ccc(cc1c1nnn[nH]1)[N+](=O)[O-]

STK674496
Synonyms: 2- chloro- 5- {(4Z)- 4- [2,4- di(morpholin- 4- yl)- 5- nitrobenzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1cc([N+](=O)[O-])c(cc1N1CCOCC1)N1CCOCC1)c1ccc(c(c1)C(=O)O)Cl

STK674498
Synonyms: 2- chloro- 5- {(4Z)- 3- methyl- 5- oxo- 4- [(3- phenyl- 1H- pyrazol- 4- yl)methylidene]- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1c[nH]nc1c1ccccc1)c1ccc(c(c1)C(=O)O)Cl

STK758374
Synonyms: 2,2- bis[(7- amino- 7H- [1,2,4]triazolo[4,3- b][1,2,4]triazol- 3- yl)sulfanyl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)C(Sc1nnc2n1ncn2N)Sc1nnc2n1ncn2N

STK758376
Synonyms: N- (4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)- 2- {[5- (prop- 2- en- 1- yl)- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c2ccccc2c2c1nc(SCC(=O)NC1=NC(=O)CS1)nn2

STK758395
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- oxopiperidin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CN1CCC(=O)CC1)c1nonc1N

STK758396
Synonyms: 2- [(7- amino- 7H- [1,2,4]triazolo[4,3- b][1,2,4]triazol- 3- yl)sulfanyl]- 1- (thiophen- 2- yl)ethanone
Smiles: O=C(c1cccs1)CSc1nnc2n1ncn2N

STK758404
Synonyms: methyl2,4- dihydroxy- 3- [(4- nitrophenyl)carbonyl]- 5- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrole- 2- carboxylate
Smiles: COC(=O)C1(O)N(c2ccccc2)C(=O)C(=C1C(=O)c1ccc(cc1)[N+](=O)[O-])O

STK674507
Synonyms: 3- phenyl- 1- {[(4- phenylcyclohexylidene)amino]oxy}propan- 1- one
Smiles: O=C(O/N=C/1\CCC(CC1)c1ccccc1)CCc1ccccc1

STK758411
Synonyms: Nalpha- [(benzyloxy)carbonyl]- N- [2- (1H- indol- 3- yl)ethyl]phenylalaninamide
Smiles: O=C(NC(C(=O)NCCc1c[nH]c2c1cccc2)Cc1ccccc1)OCc1ccccc1

STK758418
Synonyms: [3- (benzyloxy)- 4- methoxyphenyl](morpholin- 4- yl)methanethione
Smiles: COc1ccc(cc1OCc1ccccc1)C(=S)N1CCOCC1

STK758424
Synonyms: N- [(2Z)- 4- (biphenyl- 4- yl)- 3- [2- (4- methoxyphenyl)ethyl]- 1,3- thiazol- 2(3H)- ylidene]aniline
Smiles: COc1ccc(cc1)CCn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)c1ccccc1

STK758427
Synonyms: N- [(3E)- 4- chloro- 5- phenyl- 3H- 1,2- dithiol- 3- ylidene]benzenesulfonamide
Smiles: Clc1/c(=N\S(=O)(=O)c2ccccc2)/ssc1c1ccccc1

STK674522
Synonyms: 1,7,7- trimethylbicyclo[2.2.1]hept- 2- yl(1,3- benzothiazol- 2- ylsulfanyl)acetate
Smiles: O=C(OC1CC2C(C1(C)CC2)(C)C)CSc1nc2c(s1)cccc2

STK674523
Synonyms: 4- methyl- 2- oxo- 2H- chromen- 7- yl(carbamimidoylsulfanyl)acetate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)cc2C)CSC(=N)N

STK758431
Synonyms: 4- [4- (phenylcarbonyl)piperazin- 1- yl]- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: O=C1C=C(C2(O1)CCCCC2)N1CCN(CC1)C(=O)c1ccccc1

STK758433
Synonyms: ethyl4- (2- oxo- 1- oxaspiro[4.5]dec- 3- en- 4- yl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C1=CC(=O)OC21CCCCC2

STK758436
Synonyms: 4- [(2- phenylethyl)amino]- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCCc1ccccc1

STK758442
Synonyms: 4- (benzylsulfanyl)- 3- chloro- 6- nitro- 1,2- benzothiazole
Smiles: [O-][N+](=O)c1cc(SCc2ccccc2)c2c(c1)snc2Cl

STK674525
Synonyms: 6- (2,3,5,6- tetrafluoro- 4- methoxyphenyl)- 3- [(2,3,5,6- tetrafluoro- 4- methoxyphenyl)carbonyl]- 2H- pyran- 2,4(3H)- dione
Smiles: COc1c(F)c(F)c(c(c1F)F)C1=CC(=O)C(C(=O)O1)C(=O)c1c(F)c(F)c(c(c1F)F)OC

STK674527
Synonyms: benzyl2- (ethylcarbamoyl)pyrrolidine- 1- carboxylate
Smiles: CCNC(=O)C1CCCN1C(=O)OCc1ccccc1

STK758450
Synonyms: 2,6- dimethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenylphenylacetate
Smiles: COc1cc(cc(c1OC(=O)Cc1ccccc1)OC)C(=S)N1CCOCC1

STK758451
Synonyms: 2- methoxy- 4- (piperidin- 1- ylcarbonothioyl)phenylbenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1)C(=S)N1CCCCC1

STK758452
Synonyms: 2- ethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenyl2- chlorobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccccc1Cl)C(=S)N1CCOCC1

STK758453
Synonyms: 2,6- dimethoxy- 4- (piperidin- 1- ylcarbonothioyl)phenylnaphthalene- 1- carboxylate
Smiles: COc1cc(cc(c1OC(=O)c1cccc2c1cccc2)OC)C(=S)N1CCCCC1

STK758459
Synonyms: 1- phenyl- 4- (pyrrolidin- 1- yl)but- 2- yn- 1- ol
Smiles: OC(c1ccccc1)C#CCN1CCCC1

STK758460
Synonyms: 4- [(furan- 2- ylmethyl)amino]- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCc1ccco1

STK758461
Synonyms: 4- {[2- (diethylamino)ethyl]amino}- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: CCN(CCNC1=CC(=O)OC21CCCCC2)CC

STK758464
Synonyms: 4- methoxy- N- {2- [4- (2- phenylpropan- 2- yl)phenoxy]- 5- (trifluoromethyl)phenyl}benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1cc(ccc1Oc1ccc(cc1)C(c1ccccc1)(C)C)C(F)(F)F

STK758465
Synonyms: 2- [(2,6- dimethylmorpholin- 4- yl)methyl]- 6- hydroxypyridazin- 3(2H)- one
Smiles: CC1OC(C)CN(C1)Cn1nc(O)ccc1=O

STK674530
Synonyms: 1,3- dibenzyl- 6- (4- chlorophenyl)- 2,4- dioxo- 1,2,3,4- tetrahydropyrimidine- 5- carbonitrile
Smiles: N#Cc1c(c2ccc(cc2)Cl)n(Cc2ccccc2)c(=O)n(c1=O)Cc1ccccc1

STK674538
Synonyms: ethyl6- (1,3- bis{[4- (2,5- dioxopyrrolidin- 1- yl)phenyl]carbonyl}- 5- methyl- 2- oxo- 2,3- dihydro- 1H- imidazol- 4- yl)- 6- oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)c1n(C(=O)c2ccc(cc2)N2C(=O)CCC2=O)c(=O)n(c1C)C(=O)c1ccc(cc1)N1C(=O)CCC1=O

STK674539
Synonyms: N- [2- (diethylamino)ethyl]- 2- (1H- imidazol- 2- ylcarbonyl)benzamide
Smiles: CCN(CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1)CC

STK758481
Synonyms: 4- bromo- 2- (piperidin- 1- ylcarbonothioyl)phenylbenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccccc1

STK758482
Synonyms: 4- bromo- 2- (piperidin- 1- ylcarbonothioyl)phenylnaphthalene- 1- carboxylate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1cccc2c1cccc2

STK758483
Synonyms: 4- bromo- 2- (piperidin- 1- ylcarbonothioyl)phenyl2- chlorobenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccccc1Cl

STK758484
Synonyms: 4- bromo- 2- (piperidin- 1- ylcarbonothioyl)phenyl4- nitrobenzoate
Smiles: Brc1ccc(c(c1)C(=S)N1CCCCC1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK758485
Synonyms: (5- bromo- 2- hydroxyphenyl)(morpholin- 4- yl)methanethione
Smiles: S=C(c1cc(Br)ccc1O)N1CCOCC1

STK758486
Synonyms: 4- phenyl- 2- [2- (pyridin- 2- yl)ethyl]phthalazin- 1(2H)- one
Smiles: O=c1n(CCc2ccccn2)nc(c2c1cccc2)c1ccccc1

STK758487
Synonyms: 2,6- di- tert- butyl- 4- {[4,6- di(morpholin- 4- yl)- 1,3,5- triazin- 2- yl]sulfanyl}phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)Sc1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(C)(C)C

STK758492
Synonyms: 2- chloro- 5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)benzoicacid
Smiles: OC(=O)c1cc(ccc1Cl)N1C(=O)c2c(C1=O)cccc2

STK674545
Synonyms: N- (4- bromophenyl)- 2- (1H- imidazol- 2- ylcarbonyl)benzamide
Smiles: Brc1ccc(cc1)NC(=O)c1ccccc1C(=O)c1[nH]ccn1

STK674548
Synonyms: 6- (4- hydroxy- 4- methyl- 2- oxo- 1- oxa- 3- azaspiro[4.5]dec- 3- yl)hexanoicacid
Smiles: OC(=O)CCCCCN1C(=O)OC2(C1(C)O)CCCCC2

STK758510
Synonyms: 1,1,10,10,10a- pentamethyl- 5,6,10,10a- tetrahydro- 1H- bis[1,3]oxazolo[3,4- d:4',3'- g][1,4]diazepine- 3,8- dione
Smiles: O=C1OC(C2=CC3(N(CCN12)C(=O)OC3(C)C)C)(C)C

STK758512
Synonyms: ethyl2- [(1,3- benzodioxol- 5- ylcarbonyl)amino]- 5- ethylthiophene- 3- carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)c1ccc2c(c1)OCO2)CC

STK758513
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 3,5- difluorobenzamide
Smiles: Fc1cc(F)cc(c1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK674557
Synonyms: 1- [(2,2- dichloroethenyl)sulfonyl]- 3- nitrobenzene
Smiles: ClC(=CS(=O)(=O)c1cccc(c1)[N+](=O)[O-])Cl

STK674558
Synonyms: ethyl1- (2- {[4- (methoxycarbonyl)phenyl]amino}- 2- oxoethyl)- 4- phenylpiperidine- 4- carboxylate
Smiles: CCOC(=O)C1(CCN(CC1)CC(=O)Nc1ccc(cc1)C(=O)OC)c1ccccc1

STK758539
Synonyms: (2Z)- 2- [4- (2,4- dinitrophenoxy)benzylidene]- 1- benzothiophen- 3(2H)- one
Smiles: [O-][N+](=O)c1cc(ccc1Oc1ccc(cc1)/C=C/1\Sc2c(C1=O)cccc2)[N+](=O)[O-]

STK758547
Synonyms: ethyl(1,1,1,3,3,3- hexafluoro- 2- {[4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]amino}propan- 2- yl)carbamate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK758548
Synonyms: N- [3- chloro- 4- (4- chlorophenoxy)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl

STK758556
Synonyms: benzyl2- (cycloheptylcarbamoyl)- 5- oxopyrrolidine- 1- carboxylate
Smiles: O=C(C1CCC(=O)N1C(=O)OCc1ccccc1)NC1CCCCCC1

STK758574
Synonyms: N- (3,5- dimethylphenyl)- Nalpha- (phenoxycarbonyl)tryptophanamide
Smiles: O=C(NC(C(=O)Nc1cc(C)cc(c1)C)Cc1c[nH]c2c1cccc2)Oc1ccccc1

STK758579
Synonyms: (2E)- 3- (2- bromo- 4- ethoxy- 5- methoxyphenyl)- 2- cyanoprop- 2- enamide
Smiles: CCOc1cc(Br)c(cc1OC)/C=C(/C(=O)N)\C#N

STK674580
Synonyms: 2- chloro- N- cyclohexyl- 5- (2,5- dioxopyrrolidin- 1- yl)benzamide
Smiles: O=C1CCC(=O)N1c1ccc(c(c1)C(=O)NC1CCCCC1)Cl

STK674583
Synonyms: 2,2'- [(2,3,5,6- tetrafluorobenzene- 1,4- diyl)bis(oxybenzene- 2,1- diyl)]bis(3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione)
Smiles: O=C1C2C3C=CC(C2C(=O)N1c1ccccc1Oc1c(F)c(F)c(c(c1F)F)Oc1ccccc1N1C(=O)C2C(C1=O)C1CC2C=C1)C3

STK674585
Synonyms: ethyl2- ({[5- acetyl- 3- cyano- 6- methyl- 4- (2- methylpropyl)- 1,4- dihydropyridin- 2- yl]sulfanyl}methyl)- 5- hydroxy- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(CSC2=C(C#N)C(C(=C(N2)C)C(=O)C)CC(C)C)oc2c1cc(O)cc2

STK758584
Synonyms: N,N- dicyclohexyl- N'- (4- nitrophenyl)benzene- 1,4- dicarboxamide
Smiles: O=C(c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1)Nc1ccc(cc1)[N+](=O)[O-]

STK674592
Synonyms: (2Z,2'Z)- 4,4'- [benzene- 1,3- diylbis(methanediylimino)]bis(4- oxobut- 2- enoicacid)
Smiles: O=C(/C=C\C(=O)O)NCc1cccc(c1)CNC(=O)/C=C\C(=O)O

STK758586
Synonyms: N- [2- (4- chloro- 2- methylphenoxy)- 4- (trifluoromethyl)phenyl]pyridine- 3- carboxamide
Smiles: Clc1ccc(c(c1)C)Oc1cc(ccc1NC(=O)c1cccnc1)C(F)(F)F

STK674594
Synonyms: 11- methyl- N- (1,3- thiazol- 2- yl)- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxamide
Smiles: O=C(C1(C)CC2c3c(C1c1c2cccc1)cccc3)Nc1nccs1

STK674596
Synonyms: 2- (3- nitrophenyl)- 2- oxoethyl2,6- bis(1,3- dioxooctahydro- 2H- 4,7- methanoisoindol- 2- yl)hexanoate
Smiles: O=C(C(N1C(=O)C2C(C1=O)C1CC2CC1)CCCCN1C(=O)C2C(C1=O)C1CC2CC1)OCC(=O)c1cccc(c1)[N+](=O)[O-]

STK758595
Synonyms: N,N'- bis[(E)- 1H- pyrrol- 2- ylmethylidene]benzene- 1,4- diamine
Smiles: c1ccc([nH]1)/C=N/c1ccc(cc1)/N=C/c1ccc[nH]1

STK758599
Synonyms: 3- benzyl- 5- [2- (methylsulfanyl)ethyl]- 2- thioxoimidazolidin- 4- one
Smiles: CSCCC1NC(=S)N(C1=O)Cc1ccccc1

STK758610
Synonyms: 3,6- diamino- 4- (3,4,5- trimethoxyphenyl)thieno[2,3- b]pyridine- 2,5- dicarbonitrile
Smiles: N#Cc1sc2c(c1N)c(c1cc(OC)c(c(c1)OC)OC)c(c(n2)N)C#N

STK674604
Synonyms: 2- {[6- amino- 3,5- dicyano- 4- (propan- 2- yl)pyridin- 2- yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)N)nc(c(c1C(C)C)C#N)N

STK758612
Synonyms: (4- chlorophenyl){4- [(4- chlorophenyl)sulfanyl]phenyl}methanone
Smiles: Clc1ccc(cc1)Sc1ccc(cc1)C(=O)c1ccc(cc1)Cl

STK758613
Synonyms: (4- chlorophenyl){4- [(4- chlorophenyl)sulfonyl]phenyl}methanone
Smiles: Clc1ccc(cc1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl

STK674608
Synonyms: 3,6- diamino- 2- (phenylcarbonyl)- 4- (propan- 2- yl)thieno[2,3- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C(C)C)c(N)c(s2)C(=O)c1ccccc1

STK758619
Synonyms: 3- (4- hydroxy- 4,5,5- trimethyl- 2- oxo- 1,3- oxazolidin- 3- yl)propanenitrile
Smiles: N#CCCN1C(=O)OC(C1(C)O)(C)C

STK674612
Synonyms: 2- chloro- N- [5- ({2- oxo- 2- [(4- sulfamoylphenyl)amino]ethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]acetamide
Smiles: ClCC(=O)Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N

STK674613
Synonyms: 1- (2- oxocyclohexyl)ethane- 1,1,2,2- tetracarbonitrile
Smiles: N#CC(C(C1CCCCC1=O)(C#N)C#N)C#N

STK674615
Synonyms: 5- [(dibutylamino)methyl]- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidine- 4- carboxylicacid
Smiles: CCCCN(Cc1c(=O)[nH]c(=O)[nH]c1C(=O)O)CCCC

STK674616
Synonyms: 4,4,6a,6b- tetramethyl- 3- phenylhexahydro- 3H- 1- oxa- 2a,3- diazacyclopenta[cd]pentalen- 2- one
Smiles: O=C1OC2(C3(N1N(c1ccccc1)C(C3CC2)(C)C)C)C

STK758640
Synonyms: N- [(3Z)- 4,5- dichloro- 3H- 1,2- dithiol- 3- ylidene]pyridin- 2- amine
Smiles: Clc1ss/c(=N\c2ccccn2)/c1Cl

STK758641
Synonyms: 1- (1- hydroxycyclohexyl)- 3- (4- methoxyphenyl)propan- 1- one
Smiles: COc1ccc(cc1)CCC(=O)C1(O)CCCCC1

STK758645
Synonyms: 2- amino- 1- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 4- (4- fluorophenyl)- 5- oxo- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CCC2)c1sc2c(c1C#N)CCCC2

STK758655
Synonyms: 9,9- dimethyl- 9a- [(E)- 2- (naphthalen- 1- yl)ethenyl]- 9,9a- dihydro- 1H- imidazo[1,2- a]indol- 2(3H)- one
Smiles: O=C1CN2C(N1)(/C=C/c1cccc3c1cccc3)C(c1c2cccc1)(C)C

STK758662
Synonyms: 4- (7- methylimidazo[1,2- a]pyridin- 2- yl)benzene- 1,2- diol
Smiles: Cc1ccn2c(c1)nc(c2)c1ccc(c(c1)O)O

STK758663
Synonyms: 4- (6- methylimidazo[1,2- a]pyridin- 2- yl)benzene- 1,2- diol
Smiles: Cc1ccc2n(c1)cc(n2)c1ccc(c(c1)O)O

STK674622
Synonyms: 1- [(2- methylnaphthalen- 1- yl)methyl]- 2- (methylsulfanyl)- 1H- benzimidazole
Smiles: CSc1nc2c(n1Cc1c(C)ccc3c1cccc3)cccc2

STK758665
Synonyms: 5- methyl- N- (3- phenoxyphenyl)- 3- phenyl- 1,2- oxazole- 4- carboxamide
Smiles: O=C(c1c(C)onc1c1ccccc1)Nc1cccc(c1)Oc1ccccc1

STK758666
Synonyms: 4- {(E)- (hydroxyimino)[4- (4- methoxy- 2- nitrophenyl)piperazin- 1- yl]methyl}- 1,2,5- oxadiazol- 3- amine
Smiles: O/N=C(\c1nonc1N)/N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])OC

STK674624
Synonyms: N- [2- (benzyloxy)- 5- (trifluoromethyl)phenyl]- 4- bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1cc(ccc1OCc1ccccc1)C(F)(F)F

STK758667
Synonyms: 2- methyl- N- (3- phenoxyphenyl)- 5- phenylfuran- 3- carboxamide
Smiles: O=C(c1cc(oc1C)c1ccccc1)Nc1cccc(c1)Oc1ccccc1

STK758668
Synonyms: N- [2- ethoxy- 5- (trifluoromethyl)phenyl]acetamide
Smiles: CCOc1ccc(cc1NC(=O)C)C(F)(F)F

STK758671
Synonyms: 3- (morpholin- 4- ylcarbonothioyl)phenyl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)Oc1cccc(c1)C(=S)N1CCOCC1

STK758684
Synonyms: ethyl6- methyl- 4- (4- {[(4- methylphenyl)sulfonyl]oxy}phenyl)- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C

STK758692
Synonyms: N- phenyl- 12- propyl- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxamide
Smiles: CCCC1C2c3ccccc3C(C1C(=O)Nc1ccccc1)c1c2cccc1

STK758699
Synonyms: phenyl2- [(3,5- dimethylphenyl)carbamoyl]- 4- hydroxypyrrolidine- 1- carboxylate
Smiles: OC1CC(N(C1)C(=O)Oc1ccccc1)C(=O)Nc1cc(C)cc(c1)C

STK758707
Synonyms: 6,7- dimethyl- 2,3- dihydro- 1H- pyrrolo[1,2- a]benzimidazole
Smiles: Cc1cc2nc3n(c2cc1C)CCC3

STK758717
Synonyms: 3- [4,5- di(biphenyl- 4- yl)- 1H- imidazol- 2- yl]phenol
Smiles: Oc1cccc(c1)c1nc(c([nH]1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1

STK758720
Synonyms: 3- hydroxy- 3- (6- methoxy- 1- oxo- 1,2,3,4- tetrahydronaphthalen- 2- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc2c(c1)CCC(C2=O)C1(O)C(=O)Nc2c1cccc2

STK758735
Synonyms: 1,3,7- trimethyl- 8- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C(N1CCOCC1)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK674659
Synonyms: 6- {[2- nitro- 4- (trifluoromethyl)phenyl]amino}hexanoicacid
Smiles: OC(=O)CCCCCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F

STK674661
Synonyms: tert- butyl2- [(4- fluorophenyl)carbamoyl]- 4- hydroxypyrrolidine- 1- carboxylate
Smiles: OC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)F

STK758751
Synonyms: N- [5- (1H- indol- 3- ylmethyl)- 1,3,4- thiadiazol- 2- yl]- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1nnc(s1)Cc1c[nH]c2c1cccc2

STK758753
Synonyms: 2- [(2,1,3- benzothiadiazol- 4- ylsulfonyl)amino]- N- (3,4- dichlorophenyl)benzamide
Smiles: O=C(c1ccccc1NS(=O)(=O)c1cccc2c1nsn2)Nc1ccc(c(c1)Cl)Cl

STK758754
Synonyms: (5Z)- 5- {3- [(4- chlorobenzyl)oxy]- 4- methoxybenzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1OCc1ccc(cc1)Cl)/C=C/1\SC(=S)NC1=O

STK758755
Synonyms: 1- tert- butyl2- (2- oxo- 2- phenylethyl)4- hydroxypyrrolidine- 1,2- dicarboxylate
Smiles: OC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1

STK674664
Synonyms: (E)- 1- [4- (4- benzylpiperazin- 1- yl)- 3- nitrophenyl]- N- hydroxymethanimine
Smiles: O/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

STK758760
Synonyms: 3- hydroxy- 3- (6- methoxy- 7- methyl- 1- oxo- 1,2,3,4- tetrahydronaphthalen- 2- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1cc2CCC(C(=O)c2cc1C)C1(O)C(=O)Nc2c1cccc2

STK674668
Synonyms: 1,3- dimethyl- 4- [(4- methylphenyl)sulfonyl]- 1,3- dihydro- 2H- imidazol- 2- one
Smiles: Cc1ccc(cc1)S(=O)(=O)c1cn(c(=O)n1C)C

STK758766
Synonyms: 6- tert- butyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- one
Smiles: O=C1CCCc2c1[nH]c1c2cc(cc1)C(C)(C)C

STK758767
Synonyms: 5- chloro- 3- methyl- 1- phenyl- 4- [(E)- (2- phenylhydrazinylidene)methyl]- 1H- pyrazole
Smiles: Cc1nn(c(c1/C=N/Nc1ccccc1)Cl)c1ccccc1

STK758768
Synonyms: (2Z)- 2- (5- bromo- 2- hydroxy- 3- iodobenzylidene)- 1- benzothiophen- 3(2H)- one
Smiles: Brc1cc(/C=C/2\Sc3c(C2=O)cccc3)c(c(c1)I)O

STK758773
Synonyms: 6,7- dihydro- 5H- [1,3]dithiolo[4,5- b][1,4]dithiepine- 2- thione
Smiles: S=c1sc2c(s1)SCCCS2

STK674677
Synonyms: 6- amino- 2- thioxo- 4- (3,4,5- trimethoxyphenyl)- 1,2- dihydropyridine- 3,5- dicarbonitrile
Smiles: COc1cc(cc(c1OC)OC)c1c(C#N)c(N)[nH]c(=S)c1C#N

STK674678
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- {3- [(4- chloro- 5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]- 4- methoxyphenyl}methylidene]- 5- (4- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1Cn1nc(c(c1C)Cl)[N+](=O)[O-])/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

STK674683
Synonyms: 4- (3- {[(3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)(imino)methyl]sulfanyl}- 2,5- dioxopyrrolidin- 1- yl)benzoicacid
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)C(=O)O)SC(=N)N1N=C(CC1c1ccccc1)c1ccccc1

STK758782
Synonyms: 3- {[(2E)- 2- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]carbonyl}benzenesulfonamide
Smiles: O=C1Nc2c(/C/1=N\NC(=O)c1cccc(c1)S(=O)(=O)N)cccc2

STK758786
Synonyms: 3- [(4- chlorophenyl)sulfonyl]- N- cyclopentylbenzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)c1cccc(c1)S(=O)(=O)NC1CCCC1

STK758788
Synonyms: N- [(2Z)- 3- (4- chlorobenzyl)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]aniline
Smiles: Cc1ccc(cc1)c1cs/c(=N\c2ccccc2)/n1Cc1ccc(cc1)Cl

STK674685
Synonyms: (2E)- 4- {[2- (3,4- dimethoxyphenyl)ethyl](2,5- dioxo- 1- phenylpyrrolidin- 3- yl)amino}- 4- oxobut- 2- enoicacid
Smiles: COc1cc(CCN(C2CC(=O)N(C2=O)c2ccccc2)C(=O)/C=C/C(=O)O)ccc1OC

STK758796
Synonyms: [5- hydroxy- 4- (morpholin- 4- ylmethyl)- 1- benzofuran- 3- yl](thiophen- 2- yl)methanone
Smiles: Oc1ccc2c(c1CN1CCOCC1)c(co2)C(=O)c1cccs1

STK758797
Synonyms: 1- ethyl- 6- nitro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)[N+](=O)[O-]

STK674686
Synonyms: 1- (4- acetylphenyl)- 5- (4- bromophenyl)- 3- hydroxy- 4- (phenylcarbonyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Brc1ccc(cc1)C1C(=C(C(=O)N1c1ccc(cc1)C(=O)C)O)C(=O)c1ccccc1

STK758806
Synonyms: 6- [(2E)- 2- (2,4- dimethoxybenzylidene)hydrazinyl]- N- (2,3- dimethylphenyl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: COc1cc(OC)ccc1/C=N/Nc1nc2nonc2nc1Nc1cccc(c1C)C

STK758808
Synonyms: (2E)- 3- {2- [(2,4- dichlorobenzyl)oxy]phenyl}- 2- (5- methyl- 1H- benzimidazol- 2- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1ccccc1OCc1ccc(cc1Cl)Cl)/c1nc2c([nH]1)ccc(c2)C

STK758816
Synonyms: N- benzyl- N'- (4- fluorophenyl)- 6- (morpholin- 4- yl)- 1,3,5- triazine- 2,4- diamine
Smiles: Fc1ccc(cc1)Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1

STK758817
Synonyms: N- benzyl- 6- (morpholin- 4- yl)- N'- [3- (trifluoromethyl)phenyl]- 1,3,5- triazine- 2,4- diamine
Smiles: FC(c1cccc(c1)Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1)(F)F

STK758828
Synonyms: 3- [(2E)- 2- {4- [(2,4- dichlorobenzyl)oxy]- 3- methoxybenzylidene}hydrazinyl]- 5- methyl- 4H- 1,2,4- triazol- 4- amine
Smiles: COc1cc(/C=N/Nc2nnc(n2N)C)ccc1OCc1ccc(cc1Cl)Cl

STK674694
Synonyms: 5- {5- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]furan- 2- yl}- 2- hydroxybenzoicacid
Smiles: O=C1N(C)C(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)O)C(=O)N1C

STK674695
Synonyms: (2Z,4Z)- 2- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)imino]- 4- (4- methoxybenzylidene)- 3- phenyl- 1,3- thiazolidin- 5- one
Smiles: CCc1nnc(s1)/N=C/1\SC(=O)/C(=C/c2ccc(cc2)OC)/N1c1ccccc1

STK758845
Synonyms: 4- phenyl- 3- [(E)- {2- [2,3,5,6- tetrafluoro- 4- (trifluoromethyl)phenyl]hydrazinylidene}methyl]- 1H- pyrazole
Smiles: Fc1c(N/N=C/c2n[nH]cc2c2ccccc2)c(F)c(c(c1F)C(F)(F)F)F

STK758846
Synonyms: 5- amino- 3- [(Z)- 2- (3- bromo- 4- ethoxy- 5- methoxyphenyl)- 1- cyanoethenyl]- 1- (2- hydroxyethyl)- 1H- pyrazole- 4- carbonitrile
Smiles: CCOc1c(Br)cc(cc1OC)/C=C(/c1nn(c(c1C#N)N)CCO)\C#N

STK758855
Synonyms: N- (4- fluorophenyl)- 4- hydrazinyl- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- amine
Smiles: NNc1nc(Nc2ccc(cc2)F)nc(n1)N1CCOCC1

STK758858
Synonyms: 3- [(2E)- 2- (4- chlorobenzylidene)hydrazinyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1ccc(cc1)/C=N/Nc1nncn1N

STK758863
Synonyms: (3Z)- 3- [2- (4- nitrophenyl)- 2- oxoethylidene]- 3,4- dihydroquinoxalin- 2(1H)- one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=c/1\[nH]c2ccccc2[nH]c1=O

STK758864
Synonyms: 4- acetyl- 3- hydroxy- 5- (4- methoxyphenyl)- 1- (4- methylphenyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)C)C(=O)C(=C1C(=O)C)O

STK674704
Synonyms: N- (4- methylpyridin- 2- yl)nonane- 1- sulfonamide
Smiles: CCCCCCCCCS(=O)(=O)Nc1nccc(c1)C

STK758865
Synonyms: N- [(11E)- 11H- indeno[1,2- b]quinolin- 11- ylidene]- 2,5- dimethylaniline
Smiles: Cc1ccc(c(c1)/N=C\1/c2cc3ccccc3nc2c2c1cccc2)C

STK674707
Synonyms: 2,5- dichloro- 4,6- dimethylpyridine- 3- carboxylicacid
Smiles: OC(=O)c1c(Cl)nc(c(c1C)Cl)C

STK674708
Synonyms: (2- hydroxyphenoxy)aceticacid
Smiles: OC(=O)COc1ccccc1O

STK674710
Synonyms: 5- chloro- 6- hydroxy- 4- methyl- 2- oxo- 1,2- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c(c1C)Cl)O

STK758867
Synonyms: N- {(E)- [2,4- dinitro- 6- (phenylsulfanyl)phenyl]methylidene}- 4- (morpholin- 4- yl)aniline
Smiles: [O-][N+](=O)c1cc(cc(c1/C=N/c1ccc(cc1)N1CCOCC1)Sc1ccccc1)[N+](=O)[O-]

STK758868
Synonyms: (1S,2S,5R)- 2- (4- phenyl- 5- thioxo- 4,5- dihydro- 1H- tetrazol- 1- yl)- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nnn(c1=S)c1ccccc1

STK758869
Synonyms: (1S,2S,5R)- 2- (3,4- diphenyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl)- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)c1ccccc1

STK758873
Synonyms: (1S,2S,5R)- 2- [3- (2- chlorophenyl)- 4- methyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl]- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)c1ccccc1Cl

STK758874
Synonyms: 1,2,6- trimethylpiperidin- 4- yl3- (4- methoxyphenyl)- 2- phenylpropanoate
Smiles: COc1ccc(cc1)CC(c1ccccc1)C(=O)OC1CC(C)N(C(C1)C)C

STK674711
Synonyms: 1,1'- propane- 1,3- diylbis(3,3- dimethyldiaziridine)
Smiles: CC1(C)NN1CCCN1NC1(C)C

STK674714
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxamide
Smiles: NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

STK758878
Synonyms: 5- acetyl- 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 6- methyl- 4- propyl- 1,4- dihydropyridine- 3- carbonitrile
Smiles: CCCC1C(=C(SCC(=O)c2ccc(cc2)Br)NC(=C1C(=O)C)C)C#N

STK758879
Synonyms: 3- methyl- 1- (2- methylbut- 3- yn- 2- yl)- 4- phenylpiperidin- 4- ol
Smiles: C#CC(N1CCC(C(C1)C)(O)c1ccccc1)(C)C

STK758883
Synonyms: (3E,5E)- 1- benzyl- 3,5- bis(thiophen- 3- ylmethylidene)piperidin- 4- one
Smiles: O=C1/C(=C/c2cscc2)/CN(C/C/1=C\c1cscc1)Cc1ccccc1

STK758885
Synonyms: (2E)- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccccc1

STK674716
Synonyms: (2Z)- 3- imino- 2- [2- (4- nitrophenyl)hydrazinylidene]- 3- (piperidin- 1- yl)propanenitrile
Smiles: N#C/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/C(=N)N1CCCCC1

STK758891
Synonyms: (2Z)- 3- imino- 2- [2- (3- nitrophenyl)hydrazinylidene]- 3- (piperidin- 1- yl)propanenitrile
Smiles: N#C/C(=N/Nc1cccc(c1)[N+](=O)[O-])/C(=N)N1CCCCC1

STK758899
Synonyms: 2- amino- 4- (2- methoxyphenyl)- 4H- benzo[g]chromene- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1OC)cc1c(c2)cccc1

STK758900
Synonyms: prop- 2- en- 1- yl6- amino- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccco1)C#N)N

STK758904
Synonyms: prop- 2- en- 1- yl6- amino- 5- cyano- 2- methyl- 4- phenyl- 4H- pyran- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccccc1)C#N)N

STK758905
Synonyms: prop- 2- en- 1- yl6- amino- 5- cyano- 4- (4- methoxyphenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)OC)C#N)N

STK758908
Synonyms: prop- 2- en- 1- yl6- amino- 4- (4- chlorophenyl)- 5- cyano- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK758912
Synonyms: ethyl6- amino- 5- cyano- 4- (naphthalen- 1- yl)- 2- propyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCC)OC(=C(C1c1cccc2c1cccc2)C#N)N

STK758917
Synonyms: ethyl6- amino- 5- cyano- 4- (4- methylphenyl)- 2- propyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(CCC)OC(=C(C1c1ccc(cc1)C)C#N)N

STK758922
Synonyms: 2- (3- acetyl- 7,8- dimethoxy- 1- methyl- 4- oxo- 4,5- dihydro- 3H- 2,3- benzodiazepin- 5- yl)- N- phenylacetamide
Smiles: COc1cc2C(CC(=O)Nc3ccccc3)C(=O)N(N=C(c2cc1OC)C)C(=O)C

STK758923
Synonyms: 2- (7,8- dimethoxy- 1- methyl- 4- oxo- 4,5- dihydro- 3H- 2,3- benzodiazepin- 5- yl)- N- phenylacetamide
Smiles: COc1cc2C(CC(=O)Nc3ccccc3)C(=O)NN=C(c2cc1OC)C

STK674720
Synonyms: 3- [({6- [(2,2,3,3- tetrafluoropropoxy)carbonyl]cyclohex- 3- en- 1- yl}carbonyl)amino]benzoicacid
Smiles: O=C(C1CC=CCC1C(=O)OCC(C(F)F)(F)F)Nc1cccc(c1)C(=O)O

STK758933
Synonyms: N,N',N''- tris(3- chlorophenyl)- 1,3,5- triazine- 2,4,6- triamine
Smiles: Clc1cccc(c1)Nc1nc(Nc2cccc(c2)Cl)nc(n1)Nc1cccc(c1)Cl

STK674723
Synonyms: methyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- methylpiperazin- 1- yl)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: COC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N

STK674725
Synonyms: [2- (4- bromophenyl)- 6,6- dimethyl- 4- oxo- 4,5,6,7- tetrahydro- 1H- indol- 1- yl]aceticacid
Smiles: OC(=O)Cn1c(cc2c1CC(C)(C)CC2=O)c1ccc(cc1)Br

STK674726
Synonyms: 2- (morpholin- 4- yl)- N- (5- {[2- oxo- 2- (phenylamino)ethyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)acetamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccccc1)CN1CCOCC1

STK758949
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]methyl}- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOc1ccc2c(c1)sc(n2)SCc1c(nnn1c1nonc1N)C(=O)OCC

STK674729
Synonyms: 4- phenyldecahydroquinolin- 4- ol
Smiles: OC1(CCNC2C1CCCC2)c1ccccc1

STK758963
Synonyms: 4- azido- 3- chloro- 6- nitro- 1,2- benzothiazole
Smiles: [N-]=[N+]=Nc1cc(cc2c1c(Cl)ns2)[N+](=O)[O-]

STK758971
Synonyms: N- (4- methylphenyl)- 7- phenylbicyclo[3.1.1]heptane- 6- carboxamide
Smiles: O=C(C1C2CCCC1C2c1ccccc1)Nc1ccc(cc1)C

STK674736
Synonyms: (2E,6E)- 4- tert- butyl- 2,6- bis(pyridin- 3- ylmethylidene)cyclohexanone
Smiles: O=C1/C(=C/c2cccnc2)/CC(C/C/1=C\c1cccnc1)C(C)(C)C

STK674738
Synonyms: bis(2,2,6,6- tetramethylpiperidin- 4- yl)butanedioate
Smiles: O=C(OC1CC(C)(C)NC(C1)(C)C)CCC(=O)OC1CC(C)(C)NC(C1)(C)C

STK758977
Synonyms: N- (4- methoxyphenyl)- N'- (2- {4- [(3- methylphenyl)carbonyl]piperazin- 1- yl}ethyl)ethanediamide
Smiles: COc1ccc(cc1)NC(=O)C(=O)NCCN1CCN(CC1)C(=O)c1cccc(c1)C

STK674741
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- (cyclopropylcarbonyl)- 4- (methoxymethyl)- 1H- 1,2,3- triazole- 5- carbohydrazide
Smiles: COCc1nnn(c1C(=O)NNC(=O)C1CC1)c1nonc1N

STK674744
Synonyms: cyclopropyl[(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indol- 5- yl]methanone
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)C1CC1

STK758994
Synonyms: 2- chloroethyl2- [(2- ethoxy- 2- oxoethyl)sulfanyl]- 1H- benzimidazole- 1- carboxylate
Smiles: ClCCOC(=O)n1c(SCC(=O)OCC)nc2c1cccc2

STK674753
Synonyms: 1- [(5- phenoxyfuran- 2- yl)methyl]piperidine
Smiles: C1CCN(CC1)Cc1ccc(o1)Oc1ccccc1

STK674763
Synonyms: 1- hydroxy- N- phenylnaphthalene- 2- carboxamide
Smiles: O=C(c1ccc2c(c1O)cccc2)Nc1ccccc1

STK759023
Synonyms: 5- (benzylamino)- 2- phenyl- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCc1ccccc1)c1ccccc1

STK759025
Synonyms: 5,7a- dihydro- 4aH- cyclopenta[b][1,3]dithiolo[4,5- e][1,4]dithiine- 2- thione
Smiles: S=c1sc2c(s1)SC1C(S2)C=CC1

STK759026
Synonyms: spiro[1,3- dioxolane- 2,6'- [1,3]dithiolo[4,5- b][1,4]dithiepine]- 2'- thione
Smiles: S=c1sc2c(s1)SCC1(CS2)OCCO1

STK674767
Synonyms: 9,9a- dihydro- 4aH- [1,3]dithiolo[4,5- b]indeno[1,2- e][1,4]dithiin- 2- one
Smiles: O=c1sc2c(s1)SC1C(S2)c2ccccc2C1

STK674771
Synonyms: 1- (2,5- diphenyl- 1,3- oxazol- 4- yl)- 5- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1[nH]c(=O)n(cc1C)c1nc(oc1c1ccccc1)c1ccccc1

STK759037
Synonyms: 2,2- dichloro- N- (2- fluorophenyl)- 3- phenylcyclopropanecarboxamide
Smiles: Fc1ccccc1NC(=O)C1C(C1(Cl)Cl)c1ccccc1

STK759044
Synonyms: N- (3,4- dichlorophenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitrobenzamide
Smiles: CN1CCN(CC1)c1ccc(cc1C(=O)Nc1ccc(c(c1)Cl)Cl)[N+](=O)[O-]

STK759045
Synonyms: 4- (cyclohexylcarbonyl)- 1- (2- phenylethyl)- 3,4- dihydropyrazin- 2(1H)- one
Smiles: O=C(N1C=CN(C(=O)C1)CCc1ccccc1)C1CCCCC1

STK674779
Synonyms: 4- (4- benzylpiperidin- 1- yl)- 6- {(2E)- 2- [3,5- diiodo- 2- (prop- 2- yn- 1- yloxy)benzylidene]hydrazinyl}- N- (4- methoxyphenyl)- 1,3,5- triazin- 2- amine
Smiles: C#CCOc1c(/C=N/Nc2nc(Nc3ccc(cc3)OC)nc(n2)N2CCC(CC2)Cc2ccccc2)cc(cc1I)I

STK759048
Synonyms: 2- ethoxy- 4- {(E)- [2- (pentafluorophenyl)hydrazinylidene]methyl}phenol
Smiles: CCOc1cc(/C=N/Nc2c(F)c(F)c(c(c2F)F)F)ccc1O

STK674789
Synonyms: ethyl2- (6- methyl- 2- thioxohexahydropyrimidin- 4- yl)- 3- oxo- 3- phenylpropanoate
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C1CC(C)NC(=S)N1

STK674790
Synonyms: 4- [2- (2- fluorophenyl)- 4- hydroxy- 5- oxo- 3- (phenylcarbonyl)- 2,5- dihydro- 1H- pyrrol- 1- yl]- 3- phenylbutanoicacid
Smiles: OC(=O)CC(c1ccccc1)CN1C(=O)C(=C(C1c1ccccc1F)C(=O)c1ccccc1)O

STK759068
Synonyms: 4- acetyl- 1- benzyl- 5- (2- fluorophenyl)- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C1N(Cc2ccccc2)C(C(=C1O)C(=O)C)c1ccccc1F

STK759073
Synonyms: 4- acetyl- 3- hydroxy- 5- phenyl- 1- [3- (trifluoromethyl)phenyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(F)(F)F

STK759078
Synonyms: 4- {[5- (ethoxycarbonyl)- 5- methyl- 2- oxo- 1- phenyl- 2,5- dihydro- 1H- pyrrol- 3- yl]amino}benzoicacid
Smiles: CCOC(=O)C1(C)C=C(C(=O)N1c1ccccc1)Nc1ccc(cc1)C(=O)O

STK759090
Synonyms: 4- hydroxy- N'- {(E)- [2- (morpholin- 4- yl)- 5- nitrophenyl]methylidene}butanehydrazide
Smiles: OCCCC(=O)N/N=C/c1cc(ccc1N1CCOCC1)[N+](=O)[O-]

STK759092
Synonyms: quinolin- 8- yl(1E)- N- (2- nitrophenyl)- 2- oxopropanehydrazonothioate
Smiles: CC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])/Sc1cccc2c1nccc2

STK759093
Synonyms: 2- (benzylsulfanyl)- N- {(E)- [5- (4- nitrophenyl)furan- 2- yl]methylidene}- 1,3- benzothiazol- 6- amine
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(o1)/C=N/c1ccc2c(c1)sc(n2)SCc1ccccc1

STK759097
Synonyms: 3- (4- chlorophenyl)- 7- [(E)- phenyldiazenyl]imidazo[1,2- b][1,2]oxazol- 6- amine
Smiles: Clc1ccc(cc1)c1cnc2n1oc(c2/N=N/c1ccccc1)N

STK759104
Synonyms: propyl5- {(2R,3R,4S)- 3,4- bis[(methoxycarbonyl)amino]tetrahydrothiophen- 2- yl}pentanoate
Smiles: CCCOC(=O)CCCC[C@H]1SC[C@H]([C@H]1NC(=O)OC)NC(=O)OC

STK759105
Synonyms: 3,4- dichloro- N- [2- ({2- oxo- 2- [(2- phenylethyl)amino]ethyl}sulfanyl)- 1,3- benzothiazol- 6- yl]benzamide
Smiles: O=C(CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(c(c1)Cl)Cl)NCCc1ccccc1

STK674805
Synonyms: 3- ({[3- (azepan- 1- ylsulfonyl)- 4- chlorophenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)Cl)Nc1cccc(c1)C(=O)O

STK759109
Synonyms: 2,2- diphenyl- N- (prop- 2- en- 1- yl)cyclopropanecarboxamide
Smiles: C=CCNC(=O)C1CC1(c1ccccc1)c1ccccc1

STK759115
Synonyms: 2- bromo- N'- ({4- [(4- chloro- 3,5- dimethyl- 1H- pyrazol- 1- yl)acetyl]phenyl}carbonyl)benzohydrazide
Smiles: O=C(c1ccc(cc1)C(=O)Cn1nc(c(c1C)Cl)C)NNC(=O)c1ccccc1Br

STK759118
Synonyms: 2- [2- nitro- 4- (trifluoromethyl)phenoxy]- N- [3- (trifluoromethyl)phenyl]benzamide
Smiles: O=C(c1ccccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Nc1cccc(c1)C(F)(F)F

STK759121
Synonyms: 5,5- dibutyl- 2- (4- methylphenyl)- 1,2,4- triazolidine- 3- thione
Smiles: CCCCC1(CCCC)NC(=S)N(N1)c1ccc(cc1)C

STK759130
Synonyms: N,N'- bis[3- (trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4- b]pyrazine- 5,6- diamine
Smiles: FC(c1cccc(c1)Nc1nc2nonc2nc1Nc1cccc(c1)C(F)(F)F)(F)F

STK674820
Synonyms: (2E,2'E)- N,N'- {[4- (naphthalen- 2- ylmethoxy)phenyl]methanediyl}bis(3- phenylprop- 2- enamide)
Smiles: O=C(NC(c1ccc(cc1)OCc1ccc2c(c1)cccc2)NC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1

STK759138
Synonyms: 2- ethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenyl(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoate
Smiles: CCOc1cc(ccc1OC(=O)/C=C/c1ccc(c(c1)OC)OC)C(=S)N1CCOCC1

STK759139
Synonyms: 2- (piperidin- 1- ylcarbonothioyl)phenyl(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoate
Smiles: COc1ccc(cc1OC)/C=C/C(=O)Oc1ccccc1C(=S)N1CCCCC1

STK674824
Synonyms: 3- [(4- fluorophenyl)carbamoyl]- 7- (propan- 2- ylidene)bicyclo[2.2.1]hept- 5- ene- 2- carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2=C(C)C)Nc1ccc(cc1)F

STK674826
Synonyms: ethyl(2E)- 2- (4- hydroxy- 3- methoxybenzylidene)- 5- (2- methoxynaphthalen- 1- yl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc(c(c1)OC)O)/s2

STK759151
Synonyms: N- ethyl- 2- {(2E)- 2- [(4- methoxyphenyl)imino]- 3- methyl- 4- oxo- 1,3- thiazolidin- 5- yl}acetamide
Smiles: CCNC(=O)CC1S/C(=N/c2ccc(cc2)OC)/N(C1=O)C

STK674829
Synonyms: 3- ({[3- (2,3- dihydro- 1H- indol- 1- ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCc2c1cccc2)Nc1cccc(c1)C(=O)O

STK674831
Synonyms: 2- ({[4- (piperidin- 1- ylsulfonyl)thiophen- 2- yl]carbonyl}amino)benzoicacid
Smiles: O=C(c1scc(c1)S(=O)(=O)N1CCCCC1)Nc1ccccc1C(=O)O

STK759160
Synonyms: 10- (2- fluorophenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: O=c1[nH]c(=O)c2c(n1)n(c1ccccc1F)c1c(c2)cccc1

STK759164
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1- methyl- 4- nitro- 1H- pyrazol- 3- yl)carbonyl]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)NNC(=O)c1nnn(c1c1ccccc1)c1nonc1N

STK674839
Synonyms: 2- [({3- [(3- acetylphenyl)sulfamoyl]phenyl}carbonyl)amino]benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(=O)C)Nc1ccccc1C(=O)O

STK674842
Synonyms: 3- ({[3- (3,4- dihydroquinolin- 1(2H)- ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCCc2c1cccc2)Nc1cccc(c1)C(=O)O

STK674850
Synonyms: 3- {[(3- carbamoyl- 4- methylphenyl)sulfonyl]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)NS(=O)(=O)c1ccc(c(c1)C(=O)N)C

STK674851
Synonyms: 4- ({[4- fluoro- 3- (morpholin- 4- ylsulfonyl)phenyl]carbonyl}amino)benzoicacid
Smiles: O=C(c1ccc(c(c1)S(=O)(=O)N1CCOCC1)F)Nc1ccc(cc1)C(=O)O

STK759188
Synonyms: 4- [(1- methyl- 1H- tetrazol- 5- yl)methyl]morpholine
Smiles: Cn1nnnc1CN1CCOCC1

STK674854
Synonyms: (2Z)- 2- ammonio- 4- oxo- 4- (2,3,4,5- tetrafluoro- 6- hydroxyphenyl)but- 2- enoate
Smiles: [O-]C(=O)/C(=C/C(=O)c1c(O)c(F)c(c(c1F)F)F)/[NH3+]

STK759190
Synonyms: N- (4- chloro- 2,5- dimethoxyphenyl)- 4- (4- cyclohexylphenyl)- 1,3- thiazol- 2- amine
Smiles: COc1cc(Cl)c(cc1Nc1scc(n1)c1ccc(cc1)C1CCCCC1)OC

STK759194
Synonyms: 3- [(4- fluorophenyl)sulfonyl]- 1- (morpholin- 4- yl)propan- 1- one
Smiles: O=C(N1CCOCC1)CCS(=O)(=O)c1ccc(cc1)F

STK674855
Synonyms: 2- phenyl- 3- (thiophen- 2- yl)propanoicacid
Smiles: OC(=O)C(c1ccccc1)Cc1cccs1

STK759198
Synonyms: 2,5- dimethyl- 2,3,4,5- tetrahydro- 1H- pyrido[4,3- b]indole
Smiles: CN1CCc2c(C1)c1ccccc1n2C

STK759202
Synonyms: ethyl6- bromo- 5- methoxy- 1- phenyl- 2- [(phenylsulfanyl)methyl]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(OC)c(cc2n(c1CSc1ccccc1)c1ccccc1)Br

STK674858
Synonyms: 3,3'- piperazine- 1,4- diylbis[N- (4- ethoxyphenyl)propanamide]
Smiles: CCOc1ccc(cc1)NC(=O)CCN1CCN(CC1)CCC(=O)Nc1ccc(cc1)OCC

STK759203
Synonyms: 3- (dimethylamino)- 1- (4- hydroxyphenyl)propan- 1- one
Smiles: CN(CCC(=O)c1ccc(cc1)O)C

STK759205
Synonyms: phenyl{5- [(E)- phenyldiazenyl]- 1- benzofuran- 2- yl}methanone
Smiles: O=C(c1cc2c(o1)ccc(c2)/N=N/c1ccccc1)c1ccccc1

STK674874
Synonyms: 2- [5- (3,3,6,6- tetramethyl- 1,8- dioxo- 2,3,4,5,6,7,8,9- octahydro- 1H- xanthen- 9- yl)furan- 2- yl]benzoicacid
Smiles: O=C1CC(C)(C)CC2=C1C(c1ccc(o1)c1ccccc1C(=O)O)C1=C(O2)CC(CC1=O)(C)C

STK674875
Synonyms: 7- {[3- (dimethylamino)propyl]amino}- 1- methyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN(CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C)C

STK674877
Synonyms: N,N- diethyl- 4- [(2Z)- 2- [(4- fluorophenyl)imino]- 3- (3- hydroxypropyl)- 2,3- dihydro- 1,3- thiazol- 4- yl]benzenesulfonamide
Smiles: OCCCn1/c(=N/c2ccc(cc2)F)/scc1c1ccc(cc1)S(=O)(=O)N(CC)CC

STK759243
Synonyms: 4- chloro- 2- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1cc(Cl)ccc1O

STK759250
Synonyms: N- [5- (ethylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3,3,3- trifluoro- 2- methyl- 2- (trifluoromethyl)propanamide
Smiles: CCSc1nnc(s1)NC(=O)C(C(F)(F)F)(C(F)(F)F)C

STK759252
Synonyms: methyl({5- [(2- amino- 2- oxoethyl)sulfanyl]- 2- thioxo- 1,3- dithiol- 4- yl}sulfanyl)acetate
Smiles: COC(=O)CSc1sc(=S)sc1SCC(=O)N

STK759257
Synonyms: 11- cyano- N- (4- nitrophenyl)- 9,10- dihydro- 9,10- ethanoanthracene- 11- carboxamide
Smiles: N#CC1(CC2c3c(C1c1c2cccc1)cccc3)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK674884
Synonyms: ethyl{1- benzyl- 3- [(4- methylpiperazin- 1- yl)methyl]- 1H- indol- 2- yl}acetate
Smiles: CCOC(=O)Cc1c(CN2CCN(CC2)C)c2c(n1Cc1ccccc1)cccc2

STK759264
Synonyms: 4- methoxy- 2- [5- (4- methoxyphenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1cc(OC)ccc1O

STK759266
Synonyms: propan- 2- yl6- oxo- 6H- anthra[1,9- cd][1,2]oxazole- 3- carboxylate
Smiles: CC(OC(=O)c1ccc2c3c1noc3c1c(C2=O)cccc1)C

STK759269
Synonyms: 2'H- spiro[cycloheptane- 1,3'- isoquinolin]- 1'(4'H)- one
Smiles: O=C1NC2(CCCCCC2)Cc2c1cccc2

STK759272
Synonyms: (5Z)- 2- (diphenylamino)- 5- (5- methoxy- 3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc2c(c1)n(C)/c(=C\1/SC(=NC1=O)N(c1ccccc1)c1ccccc1)/s2

STK759289
Synonyms: (4- {2- [4- (methylsulfanyl)phenyl]- 5- phenyl- 1H- imidazol- 4- yl}phenyl)(phenyl)methanone
Smiles: CSc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1

STK759292
Synonyms: 4- [4- (4- chlorophenyl)- 5- phenyl- 1H- imidazol- 2- yl]benzoicacid
Smiles: Clc1ccc(cc1)c1nc([nH]c1c1ccccc1)c1ccc(cc1)C(=O)O

STK759303
Synonyms: ethyl(2- {hydroxy[bis(4- methylphenyl)]acetyl}- 1- phenylhydrazinyl)(oxo)acetate
Smiles: CCOC(=O)C(=O)N(c1ccccc1)NC(=O)C(c1ccc(cc1)C)(c1ccc(cc1)C)O

STK759309
Synonyms: 4- [(E)- {[4- (diethylamino)phenyl]imino}methyl]- 2- methoxyphenyl3- chloro- 1- benzothiophene- 2- carboxylate
Smiles: CCN(c1ccc(cc1)/N=C/c1ccc(c(c1)OC)OC(=O)c1sc2c(c1Cl)cccc2)CC

STK674893
Synonyms: 4- (1H- phenanthro[9,10- d]imidazol- 2- yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK759323
Synonyms: 2- (1H- indol- 3- yl)- 1H- phenanthro[9,10- d]imidazole
Smiles: c1ccc2c(c1)c(c[nH]2)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK759325
Synonyms: 2- (2,4- dimethoxyphenyl)- 5- iodo- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1ccc(c(c1)OC)c1nc2c([nH]1)c1ccccc1c1c2cc(I)cc1

STK674896
Synonyms: 4- (4- {8- [2- (4- hydroxyphenyl)- 4- phenyl- 1H- imidazol- 5- yl]dibenzo[b,d]furan- 2- yl}- 5- phenyl- 1H- imidazol- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc2c(c1)c1cc(ccc1o2)c1nc([nH]c1c1ccccc1)c1ccc(cc1)O

STK674899
Synonyms: 2- chloro- N'- {[3- (2,2- dichloroethenyl)- 2,2- dimethylcyclopropyl]carbonyl}- 4- nitrobenzohydrazide
Smiles: ClC(=CC1C(C1(C)C)C(=O)NNC(=O)c1ccc(cc1Cl)[N+](=O)[O-])Cl

STK759340
Synonyms: 3- [(4- methylphenyl)amino]- 5- phenyl- 4- (phenylcarbonyl)- 1- (pyridin- 2- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)NC1=C(C(=O)c2ccccc2)C(N(C1=O)c1ccccn1)c1ccccc1

STK674900
Synonyms: 3- amino- 4- (methylsulfonyl)- 1,5- diphenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: O=C1N(c2ccccc2)C(C(=C1N)S(=O)(=O)C)c1ccccc1

STK674903
Synonyms: 2- {[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]methyl}- 3- [3- (trifluoromethyl)phenyl]- 4a,8a- dihydroquinazolin- 4(3H)- one
Smiles: O=C1C2C=CC=CC2N=C(N1c1cccc(c1)C(F)(F)F)CSc1nnnn1c1ccccc1

STK674905
Synonyms: 1- (2,5- diphenyl- 1,3- oxazol- 4- yl)- 5- methyl- 4- (piperidin- 1- yl)pyrimidin- 2(1H)- one
Smiles: Cc1cn(c(=O)nc1N1CCCCC1)c1nc(oc1c1ccccc1)c1ccccc1

STK759353
Synonyms: propan- 2- yl4- [4- (difluoromethoxy)- 3- methoxyphenyl]- 6- methyl- 2- oxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: COc1cc(ccc1OC(F)F)C1NC(=O)NC(=C1C(=O)OC(C)C)C

STK759356
Synonyms: N- (4- fluorophenyl)- 2- [(1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK759374
Synonyms: ethyl1- [4- (acetylamino)- 1,2,5- oxadiazol- 3- yl]- 5- methyl- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1C)c1nonc1NC(=O)C

STK674919
Synonyms: propan- 2- yl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(diethylamino)methyl]- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCN(Cc1c(nnn1c1nonc1N)C(=O)OC(C)C)CC

STK674920
Synonyms: propan- 2- yl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (piperidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N)C

STK674921
Synonyms: propan- 2- yl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (pyrrolidin- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCC1)c1nonc1N)C

STK759377
Synonyms: 2,6- dimethoxy- 4- (morpholin- 4- ylcarbonothioyl)phenyl3- phenylpropanoate
Smiles: COc1cc(cc(c1OC(=O)CCc1ccccc1)OC)C(=S)N1CCOCC1

STK759382
Synonyms: N- [(2Z)- 4- (3,4- dimethylphenyl)- 3- (2- phenylethyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- (trifluoromethyl)aniline
Smiles: Cc1cc(ccc1C)c1cs/c(=N\c2cccc(c2)C(F)(F)F)/n1CCc1ccccc1

STK759383
Synonyms: [1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- nitrophenyl)- 1H- 1,2,3- triazol- 4- yl](piperidin- 1- yl)methanone
Smiles: O=C(c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)N1CCCCC1

STK759387
Synonyms: 1- (2- fluorophenyl)- 2,5- dioxopyrrolidin- 3- ylN,N'- dimethylcarbamimidothioate
Smiles: CN/C(=N\C)/SC1CC(=O)N(C1=O)c1ccccc1F

STK674929
Synonyms: 5,6- dimethoxy- 3- (trichloromethyl)- 2- benzofuran- 1(3H)- one
Smiles: COc1cc2c(cc1OC)C(=O)OC2C(Cl)(Cl)Cl

STK759393
Synonyms: 2- fluoro- N- (1- methyl- 1H- tetrazol- 5- yl)benzamide
Smiles: O=C(c1ccccc1F)Nc1nnnn1C

STK759398
Synonyms: 8',9'- dimethoxy- 10b'- methyl- 6',10b'- dihydro- 5'H- spiro[cyclohexane- 1,1'- [1,3]oxazolo[4,3- a]isoquinolin]- 3'- one
Smiles: COc1cc2c(cc1OC)CCN1C2(C)C2(CCCCC2)OC1=O

STK759399
Synonyms: 1- ethyl- 8,9- dimethoxy- 1,10b- dimethyl- 1,5,6,10b- tetrahydro[1,3]oxazolo[4,3- a]isoquinolin- 3- one
Smiles: CCC1(C)OC(=O)N2C1(C)c1cc(OC)c(cc1CC2)OC

STK759400
Synonyms: 4- hydroxy- 4,5- dimethyl- 5- (4- methylpent- 3- en- 1- yl)- 3- (4H- 1,2,4- triazol- 4- yl)- 1,3- oxazolidin- 2- one
Smiles: CC(=CCCC1(C)OC(=O)N(C1(C)O)n1cnnc1)C

STK759406
Synonyms: 4- methoxy- N- (pyridin- 3- ylmethyl)- 6- (thiomorpholin- 4- yl)- 1,3,5- triazin- 2- amine
Smiles: COc1nc(NCc2cccnc2)nc(n1)N1CCSCC1

STK674936
Synonyms: 1,1'- di- tert- butyl- 3,3'- bidiaziridine
Smiles: CC(N1NC1C1NN1C(C)(C)C)(C)C

STK759411
Synonyms: 4- (2- fluoro- 4- {(1E)- 1- [2- (4- fluorophenyl)hydrazinylidene]ethyl}phenyl)morpholine
Smiles: Fc1ccc(cc1)N/N=C(/c1ccc(c(c1)F)N1CCOCC1)\C

STK759413
Synonyms: N,N- dicyclohexyl- 3,4- difluorobenzamide
Smiles: O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(c(c1)F)F

STK759416
Synonyms: 1- (4- {4- [(2,6- difluorophenyl)carbonyl]piperazin- 1- yl}- 5- fluoro- 2- methylphenyl)ethanone
Smiles: Fc1cc(C(=O)C)c(cc1N1CCN(CC1)C(=O)c1c(F)cccc1F)C

STK759423
Synonyms: (1S,2S,5R)- 2- {3- [(3,4- dimethylphenoxy)methyl]- 4- methyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl}- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)C)COc1ccc(c(c1)C)C

STK759424
Synonyms: (1S,2S,5R)- 2- (3- benzyl- 4- phenyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl)- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)Cc1ccccc1

STK674938
Synonyms: 2- [(1S,2S,5R)- 4- oxo- 6,8- dioxabicyclo[3.2.1]oct- 2- yl]- 3a,4,7,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione(non- preferredname)
Smiles: O=C1C[C@@H]([C@@H]2O[C@H]1OC2)N1C(=O)C2C(C1=O)CC=CC2

STK674939
Synonyms: 2- (dodecylsulfinyl)- 1- phenylethanol
Smiles: CCCCCCCCCCCCS(=O)CC(c1ccccc1)O

STK674940
Synonyms: 2- (dodecylsulfonyl)- 1- phenylethanol
Smiles: CCCCCCCCCCCCS(=O)(=O)CC(c1ccccc1)O

STK759432
Synonyms: 2- [(7- amino- 7H- [1,2,4]triazolo[4,3- b][1,2,4]triazol- 3- yl)sulfanyl]- N- (5- bromopyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccc(cn1)Br)CSc1nnc2n1ncn2N

STK674944
Synonyms: 2- [(5- ethyl- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (furan- 2- ylmethyl)acetamide
Smiles: CCC1C(=O)NC(=NC1=O)SCC(=O)NCc1ccco1

STK759443
Synonyms: azepan- 1- yl[3- bromo- 5- (furan- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]methanone
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)N1CCCCCC1

STK759449
Synonyms: 3- bromo- 5- (furan- 2- yl)- N- [2- (morpholin- 4- yl)ethyl]- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)NCCN1CCOCC1

STK759450
Synonyms: [3- bromo- 5- (furan- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl](piperidin- 1- yl)methanone
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)N1CCCCC1

STK674951
Synonyms: ethyl5- {[(4- methyl- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]methyl}- 2- oxo- 2,3- dihydro- 1H- imidazole- 4- carboxylate
Smiles: CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nc(C)cc(=O)[nH]1

STK759453
Synonyms: 2- {[3- cyano- 4- (2- methylphenyl)- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl]sulfanyl}- N- phenylacetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccccc1C

STK759455
Synonyms: 3- amino- 2- [(4- methoxyphenyl)carbonyl]- 4,6- dimethyl- N- phenylthieno[2,3- b]pyridine- 5- carboxamide
Smiles: COc1ccc(cc1)C(=O)c1sc2c(c1N)c(C)c(c(n2)C)C(=O)Nc1ccccc1

STK759460
Synonyms: diethyl7- ethyl- 3- methyl- 4- oxo- 4,7- dihydrothieno[2,3- b]pyridine- 2,5- dicarboxylate
Smiles: CCOC(=O)c1sc2c(c1C)c(=O)c(cn2CC)C(=O)OCC

STK759461
Synonyms: N- {2- [(1,3- benzodioxol- 5- ylmethyl)amino]- 1,1,1,3,3,3- hexafluoropropan- 2- yl}pyridine- 3- carboxamide
Smiles: O=C(c1cccnc1)NC(C(F)(F)F)(C(F)(F)F)NCc1ccc2c(c1)OCO2

STK759464
Synonyms: [(4aS,8aR)- 4- hydroxy- 4- phenyloctahydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: O=C(N1CCC([C@@H]2[C@H]1CCCC2)(O)c1ccccc1)c1ccccc1

STK759471
Synonyms: (2E)- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl][2- (4- methylphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)C)/c1scc(n1)c1ccc(cc1)Cl

STK759478
Synonyms: 6- amino- 4- (2- fluorophenyl)- 3- (trifluoromethyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1F)c(n[nH]2)C(F)(F)F

STK674959
Synonyms: 6- amino- 4- (thiophen- 2- yl)- 3- (trifluoromethyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccs1)c(n[nH]2)C(F)(F)F

STK759483
Synonyms: 6- amino- 4- (2- chlorophenyl)- 3- (trifluoromethyl)- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1Cl)c(n[nH]2)C(F)(F)F

STK759486
Synonyms: prop- 2- en- 1- yl6- amino- 5- cyano- 4- (3,4- dimethoxyphenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: C=CCOC(=O)C1=C(C)OC(=C(C1c1ccc(c(c1)OC)OC)C#N)N

STK759495
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N- (2- cyanophenyl)butanamide
Smiles: CCC(C(=O)Nc1ccccc1C#N)Sc1nc2c(o1)cccc2

STK759496
Synonyms: 3- (4- chlorophenyl)- 4- methylidene- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: Clc1ccc(cc1)N1C(=O)OC2(C1=C)CCCCC2

STK759497
Synonyms: 3,4,5- trimethyl- 1H- pyrrole- 2- carbaldehyde
Smiles: O=Cc1[nH]c(c(c1C)C)C

STK674965
Synonyms: 4,5- dimethyl- 1H- pyrrole- 2- carbaldehyde
Smiles: O=Cc1[nH]c(c(c1)C)C

STK674966
Synonyms: 3,4- dimethyl- 1H- pyrrole- 2- carbaldehyde
Smiles: O=Cc1[nH]cc(c1C)C

STK759498
Synonyms: ethyl4- [(Z)- 1,2- dibromoethenyl]- 3,5- dimethyl- 1H- pyrrole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/Br)/Br)C

STK759500
Synonyms: 4- benzyl2- ethyl3,5- dimethyl- 1H- pyrrole- 2,4- dicarboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)C(=O)OCc1ccccc1)C

STK759502
Synonyms: 3,5- dimethyl- 1H- pyrrole- 2- carbaldehyde
Smiles: O=Cc1[nH]c(cc1C)C

STK759504
Synonyms: (2S,5R)- 2- (4- methyl- 3- phenyl- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 1- yl)- 6,8- dioxabicyclo[3.2.1]octan- 4- one(non- preferredname)
Smiles: O=C1C[C@H](C2O[C@H]1OC2)n1nc(n(c1=S)C)c1ccccc1

STK674973
Synonyms: 2- (4- bromophenyl)- 4,6- dinitro- 1,2- benzothiazol- 3(2H)- one
Smiles: Brc1ccc(cc1)n1sc2c(c1=O)c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

STK674974
Synonyms: 2- amino- 4,6- dinitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1C(=O)O)N)[N+](=O)[O-]

STK759510
Synonyms: N- (1- acetyl- 2- methyl- 1H- imidazol- 4- yl)acetamide
Smiles: CC(=O)Nc1nc(n(c1)C(=O)C)C

STK759514
Synonyms: 2- bromo- 6- methoxy- 4- [(1E)- 2- nitroprop- 1- en- 1- yl]phenol
Smiles: COc1cc(/C=C(/[N+](=O)[O-])\C)cc(c1O)Br

STK759516
Synonyms: 1- (3- ethoxyphenyl)- 2,5- dioxopyrrolidin- 3- ylN'- acetylcarbamohydrazonothioate
Smiles: CCOc1cccc(c1)N1C(=O)CC(C1=O)S/C(=N/NC(=O)C)/N

STK759517
Synonyms: 4- [(3,4- dichlorobenzyl)amino]- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: O=C1C=C(C2(O1)CCCCC2)NCc1ccc(c(c1)Cl)Cl

STK674982
Synonyms: 1,1'- (ethane- 1,2- diyldibenzene- 4,1- diyl)dioctan- 1- one
Smiles: CCCCCCCC(=O)c1ccc(cc1)CCc1ccc(cc1)C(=O)CCCCCCC

STK674983
Synonyms: N,N'- [(4- hydroxy- 3- nitrophenyl)methanediyl]dibenzamide
Smiles: O=C(c1ccccc1)NC(c1ccc(c(c1)[N+](=O)[O-])O)NC(=O)c1ccccc1

STK759524
Synonyms: 2,6- dibromo- 4- (morpholin- 4- ylcarbonothioyl)phenyl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1

STK759534
Synonyms: ethyl5- (2,4- dimethylphenyl)- 4,6- dioxo- 2,4,5,6- tetrahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: CCOC(=O)c1[nH]nc2c1c(=O)n(c2=O)c1ccc(cc1C)C

STK759538
Synonyms: [1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- methyl- 1H- 1,2,3- triazol- 4- yl](piperidin- 1- yl)methanone
Smiles: O=C(c1nnn(c1C)c1nonc1N)N1CCCCC1

STK674991
Synonyms: 7- methyl- 2- (2- methylphenyl)- 5- [1- (2- methylphenyl)- 2,5- dioxopyrrolidin- 3- yl]- 3a,4,5,7a- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1CC(C(=O)N1c1ccccc1C)C1C=C(C)C2C(C1)C(=O)N(C2=O)c1ccccc1C

STK759542
Synonyms: N- [(E)- (4- chlorophenyl)methylidene]- 2- [(2,4- dimethylbenzyl)sulfanyl]- 1,3- benzothiazol- 6- amine
Smiles: Clc1ccc(cc1)/C=N/c1ccc2c(c1)sc(n2)SCc1ccc(cc1C)C

STK759548
Synonyms: 4- (4- cyclohexylphenyl)- N- [3- (trifluoromethyl)phenyl]- 1,3- thiazol- 2- amine
Smiles: FC(c1cccc(c1)Nc1scc(n1)c1ccc(cc1)C1CCCCC1)(F)F

STK759551
Synonyms: N- (1,3- dioxooctahydro- 4,6- ethenocyclopropa[f]isoindol- 2(1H)- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)NN1C(=O)C2C(C1=O)C1C=CC2C2C1C2

STK675000
Synonyms: propan- 2- yl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (azepan- 1- ylmethyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CC(OC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N)C

STK759566
Synonyms: 4- (cyclopropylamino)- 1- oxaspiro[4.5]dec- 3- en- 2- one
Smiles: O=C1C=C(C2(O1)CCCCC2)NC1CC1

STK759568
Synonyms: 3- benzyl- 7- {[(2Z)- 2- (hydroxyimino)- 2- (4- methylphenyl)ethyl]oxy}- 4- methyl- 2H- chromen- 2- one
Smiles: O/N=C(/c1ccc(cc1)C)\COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1

STK759571
Synonyms: (2E,2'E)- N,N'- [(3,4- dimethoxyphenyl)methanediyl]bis(3- phenylprop- 2- enamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1

STK675008
Synonyms: N,N'- [(3- methoxyphenyl)methanediyl]bis(2- chloroacetamide)
Smiles: ClCC(=O)NC(c1cccc(c1)OC)NC(=O)CCl

STK759572
Synonyms: N,N'- [(3,4- dimethoxyphenyl)methanediyl]bis(3- phenylpropanamide)
Smiles: COc1cc(ccc1OC)C(NC(=O)CCc1ccccc1)NC(=O)CCc1ccccc1

STK759573
Synonyms: ethyl3,3,3- trifluoro- N- (2- fluorophenyl)- 2- (propanoylamino)alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1ccccc1F)NC(=O)CC

STK759574
Synonyms: 1- (2,6- dichlorobenzyl)- 5'- phenyl- 3'H- spiro[indole- 3,2'- [1,3,4]thiadiazol]- 2(1H)- one
Smiles: Clc1cccc(c1CN1c2ccccc2C2(C1=O)NN=C(S2)c1ccccc1)Cl

STK759575
Synonyms: (5E)- 5- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 3- methyl- 1,3- thiazolidine- 2,4- dione
Smiles: O=C1S/C(=C/c2cc(n(c2C)c2ccccc2)C)/C(=O)N1C

STK759578
Synonyms: 5- (1H- imidazol- 1- yl)- 1- phenyl- 1H- tetrazole
Smiles: c1ccc(cc1)n1nnnc1n1cncc1

STK759581
Synonyms: 5- (4- fluorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)F

STK759582
Synonyms: N''- {(E)- [4- (morpholin- 4- yl)- 3- nitrophenyl]methylidene}carbonohydrazonicdiamide
Smiles: NC(=N/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)N

STK759583
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- amine
Smiles: CC(Cc1ccc(cc1)c1csc(n1)Nc1ccc2c(c1)OCO2)C

STK759584
Synonyms: N'- [2,6- di(morpholin- 4- yl)pyrimidin- 4- yl]acetohydrazide
Smiles: CC(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1

STK759589
Synonyms: 7- amino- 4,8- dimethylquinolin- 2(1H)- one
Smiles: Nc1ccc2c(c1C)[nH]c(=O)cc2C

STK759598
Synonyms: 3',5'- di- tert- butyl- 2- phenyl- 4H,4'H- spiro[1,4- benzoxazine- 3,1'- cyclohexa[2,5]dien]- 4'- one
Smiles: O=C1C(=CC2(C=C1C(C)(C)C)Nc1ccccc1OC2c1ccccc1)C(C)(C)C

STK759615
Synonyms: dimethyl(3- bromo- 6- oxo- 6H- anthra[1,9- cd][1,2]oxazol- 5- yl)propanedioate
Smiles: COC(=O)C(c1cc(Br)c2c3c1C(=O)c1ccccc1c3on2)C(=O)OC

STK675032
Synonyms: 8,9- dihydro- 7H- [1,3]thiazino[2,3- i]purine
Smiles: C1CCn2c(S1)c1ncnc1nc2

STK759626
Synonyms: 4- acetyl- 5- (4- fluorophenyl)- 3- hydroxy- 1- (2- phenylethyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)C1N(CCc2ccccc2)C(=O)C(=C1C(=O)C)O

STK759629
Synonyms: dimethyl4- hydroxy- 4- methyl- 6- oxo- 2- [4- (propan- 2- yl)phenyl]cyclohexane- 1,3- dicarboxylate
Smiles: COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)C(C)C)C(=O)OC)(C)O

STK759647
Synonyms: N- (4- methoxyphenyl)- 2- oxo- 8- (prop- 2- en- 1- yl)- 2H- chromene- 3- carboxamide
Smiles: C=CCc1cccc2c1oc(=O)c(c2)C(=O)Nc1ccc(cc1)OC

STK675038
Synonyms: 6- amino- 2- (dicyanomethylidene)- 4- (2- iodophenyl)- 1,2- dihydropyridine- 3,5- dicarbonitrile
Smiles: N#CC(=c1[nH]c(N)c(c(c1C#N)c1ccccc1I)C#N)C#N

STK675040
Synonyms: 2- (7- methoxy- 1H- indol- 3- yl)ethanamine
Smiles: NCCc1c[nH]c2c1cccc2OC

STK759651
Synonyms: 2- (3,4- dimethoxyphenyl)- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1cc(ccc1OC)c1nc2c([nH]1)c1ccccc1c1c2cccc1

STK759652
Synonyms: ethyl4- [4- (benzyloxy)phenyl]- 6- phenyl- 2- thioxo- 1,2,3,4- tetrahydropyrimidine- 5- carboxylate
Smiles: CCOC(=O)C1=C(NC(=S)NC1c1ccc(cc1)OCc1ccccc1)c1ccccc1

STK675042
Synonyms: propan- 2- yl4- (cyclopropylamino)- 4- oxobutanoate
Smiles: CC(OC(=O)CCC(=O)NC1CC1)C

STK675044
Synonyms: 5- methyl- 1- (2- methylpropyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(Cn1cc(C)c(=O)[nH]c1=O)C

STK759661
Synonyms: di- tert- butyl(6- chloropyridazin- 3- yl)propanedioate
Smiles: O=C(C(c1ccc(nn1)Cl)C(=O)OC(C)(C)C)OC(C)(C)C

STK675047
Synonyms: 3,6- dichloro- 4- [4- (3- chlorophenyl)piperazin- 1- yl]pyridazine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1cc(Cl)nnc1Cl

STK759662
Synonyms: 6- [4- (3- chlorophenyl)piperazin- 1- yl]- 3- (trifluoromethyl)[1,2,4]triazolo[4,3- b]pyridazine
Smiles: Clc1cccc(c1)N1CCN(CC1)c1ccc2n(n1)c(nn2)C(F)(F)F

STK759663
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 3- (trifluoromethyl)[1,2,4]triazolo[4,3- b]pyridazine
Smiles: FC(c1nnc2n1nc(cc2)N1CCN(CC1)Cc1ccccc1)(F)F

STK759674
Synonyms: 1- benzyl- 5- methoxy- 2- methyl- 1H- indole- 3- carboxylicacid
Smiles: COc1ccc2c(c1)c(C(=O)O)c(n2Cc1ccccc1)C

STK675056
Synonyms: ethyl6- bromo- 2- ({[2- (diethylamino)ethyl]amino}methyl)- 5- hydroxy- 1- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CNCCN(CC)CC)C)Br

STK759677
Synonyms: ethyl5- (acetyloxy)- 6- bromo- 1- butyl- 2- methyl- 1H- indole- 3- carboxylate
Smiles: CCCCn1c(C)c(c2c1cc(Br)c(c2)OC(=O)C)C(=O)OCC

STK759678
Synonyms: N- (4- methylphenyl)- 2- [3- (phenylsulfanyl)- 1H- indol- 2- yl]acetamide
Smiles: Cc1ccc(cc1)NC(=O)Cc1[nH]c2c(c1Sc1ccccc1)cccc2

STK759684
Synonyms: N- (2,4- dimethylphenyl)- 7- phenylbicyclo[3.1.1]heptane- 6- carboxamide
Smiles: O=C(C1C2CCCC1C2c1ccccc1)Nc1ccc(cc1C)C

STK675071
Synonyms: 3- [(4- fluorophenyl)carbonyl]- 1,2- bis(propylsulfonyl)indolizine- 8- carboxamide
Smiles: CCCS(=O)(=O)c1c(C(=O)c2ccc(cc2)F)n2c(c1S(=O)(=O)CCC)c(ccc2)C(=O)N

STK675085
Synonyms: 3- methoxy- 3- (nitromethyl)- 2- benzofuran- 1(3H)- one
Smiles: COC1(C[N+](=O)[O-])OC(=O)c2c1cccc2

STK759700
Synonyms: (4E)- 4- {[(furan- 2- ylcarbonyl)oxy]imino}- 2,5- dimethylcyclohexa- 2,5- dien- 1- one
Smiles: CC1=CC(=O)C(=C/C/1=N\OC(=O)c1ccco1)C

STK759705
Synonyms: 3,3'- ethane- 1,2- diylbis(4- hydroxy- 4- methyl- 1- oxa- 3- azaspiro[4.5]decan- 2- one)
Smiles: O=C1OC2(C(N1CCN1C(=O)OC3(C1(C)O)CCCCC3)(C)O)CCCCC2

STK675088
Synonyms: 2- [3a,6a- dimethyl- 2- oxo- 4- (prop- 1- en- 2- yl)tetrahydro- 2H- cyclopenta[d][1,3]oxazol- 3(3aH)- yl]ethylformate
Smiles: O=COCCN1C(=O)OC2(C1(C)C(CC2)C(=C)C)C

STK759707
Synonyms: 3- bromo- N- tert- butyl- 5- (furan- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)NC(C)(C)C

STK759708
Synonyms: 2- methyl- 1- (phenylcarbonyl)piperidin- 4- one
Smiles: O=C1CCN(C(C1)C)C(=O)c1ccccc1

STK759710
Synonyms: methyl4- (3- {[N'- (3- chloro- 4- methylphenyl)- N- ethylcarbamimidoyl]sulfanyl}- 2,5- dioxopyrrolidin- 1- yl)benzoate
Smiles: CCN/C(=N\c1ccc(c(c1)Cl)C)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC

STK759711
Synonyms: 2- amino- 5- (1H- benzotriazol- 1- yl)- 6- methyl- 4- phenyl- 4H- pyran- 3- carbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1ccccc1)n1nnc2c1cccc2)C

STK675089
Synonyms: 4- nitro- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: [O-][N+](=O)c1c[nH][nH]c1=O

STK675092
Synonyms: 4- hydroxy- 4,4- diphenylbut- 2- ynoicacid
Smiles: OC(=O)C#CC(c1ccccc1)(c1ccccc1)O

STK675093
Synonyms: 4- amino- 5- chloro- 2- methoxybenzoicacid
Smiles: COc1cc(N)c(cc1C(=O)O)Cl

STK759719
Synonyms: 2- chloro- N- [5- ({2- [(3,5- dibromopyridin- 2- yl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]acetamide
Smiles: ClCC(=O)Nc1nnc(s1)SCC(=O)Nc1ncc(cc1Br)Br

STK759720
Synonyms: 4- hydroxy- 4- methyl- 3- (prop- 2- en- 1- yl)- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: C=CCN1C(=O)OC2(C1(C)O)CCCCC2

STK759722
Synonyms: 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: Nc1ncnc(c1[N+](=O)[O-])N1CCCCC1

STK759723
Synonyms: 5- methyl- 1- phenyl- 4,5,6,7- tetrahydro- 1H- [1,2,3]triazolo[4,5- c]pyridine
Smiles: CN1CCc2c(C1)nnn2c1ccccc1

STK675104
Synonyms: diethyl5,5'- [quinoxaline- 2,3- diylbis(sulfanediylmethanediyl)]bis[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 1H- 1,2,3- triazole- 4- carboxylate]
Smiles: CCOC(=O)c1nnn(c1CSc1nc2ccccc2nc1SCc1c(nnn1c1nonc1N)C(=O)OCC)c1nonc1N

STK759732
Synonyms: 6- chloro- N- (3- methylphenyl)[1,2,5]oxadiazolo[3,4- b]pyrazin- 5- amine
Smiles: Cc1cccc(c1)Nc1nc2nonc2nc1Cl

STK675105
Synonyms: N- (5- chloropyridin- 2- yl)- 2- [(4,6- dioxo- 5- phenyl- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cn1)Cl)CSC1=NC(=O)C(C(=O)N1)c1ccccc1

STK675110
Synonyms: 2- chloro- 5- [(4E)- 4- {[5- (2- chlorophenyl)furan- 2- yl]methylidene}- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccccc1Cl)c1ccc(c(c1)C(=O)O)Cl

STK675111
Synonyms: 2- chloro- 5- {(4E)- 4- [(7- methoxy- 2- oxo- 1,3- benzoxathiol- 5- yl)methylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc2c1oc(=O)s2

STK759743
Synonyms: ethyl{10- [3- (morpholin- 4- yl)propanoyl]- 10H- phenothiazin- 3- yl}carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)Sc1c(N2C(=O)CCN2CCOCC2)cccc1

STK759750
Synonyms: [4- (6- amino- 9H- purin- 8- yl)piperazin- 1- yl](phenyl)methanone
Smiles: O=C(c1ccccc1)N1CCN(CC1)c1[nH]c2c(n1)c(N)ncn2

STK759757
Synonyms: 4- (3- amino- 7- methylimidazo[1,2- a]pyridin- 2- yl)- 2- methoxyphenol
Smiles: COc1cc(ccc1O)c1nc2n(c1N)ccc(c2)C

STK759760
Synonyms: 1- (4- fluorophenyl)- 4- methylpent- 2- yne- 1,4- diol
Smiles: OC(c1ccc(cc1)F)C#CC(O)(C)C

STK759761
Synonyms: 1- (5- methylfuran- 2- yl)- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)prop- 2- yn- 1- ol
Smiles: OC(c1ccc(o1)C)C#CC12CC3CC(C2)CC(C1)C3

STK675123
Synonyms: 3- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)prop- 2- ynoicacid
Smiles: OC(=O)C#CC12CC3CC(C2)CC(C1)C3

STK759762
Synonyms: 4- (4- fluorophenyl)- 1,1- diphenylbut- 2- yne- 1,4- diol
Smiles: Fc1ccc(cc1)C(C#CC(c1ccccc1)(c1ccccc1)O)O

STK759763
Synonyms: 1- (2- fluorophenyl)- 4- methylpent- 2- yne- 1,4- diol
Smiles: Fc1ccccc1C(C#CC(O)(C)C)O

STK759764
Synonyms: 1- (3,4- dihydroquinolin- 1(2H)- yl)- 2- [(5- propyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)sulfanyl]ethanone
Smiles: CCCn1c2ccccc2c2c1nc(SCC(=O)N1CCCc3c1cccc3)nn2

STK675124
Synonyms: (7E)- N- butoxy[1,2,5]oxadiazolo[3,4- d]pyrimidin- 7(6H)- imine
Smiles: CCCCO/N=c\1/[nH]cnc2c1non2

STK675125
Synonyms: 4- azido- 3- methoxy- 6- nitro- 1,2- benzothiazole
Smiles: [N-]=[N+]=Nc1cc(cc2c1c(OC)ns2)[N+](=O)[O-]

STK759770
Synonyms: methyl4- acetyl- 6- phenyl- 3,4- dihydro- 2H- 1,4- thiazine- 5- carboxylate1,1- dioxide
Smiles: COC(=O)C1=C(c2ccccc2)S(=O)(=O)CCN1C(=O)C

STK759773
Synonyms: dimethylspiro[1,3- dioxolane- 2,9'- fluorene]- 4,5- dicarboxylate
Smiles: COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1c1c2cccc1

STK759783
Synonyms: 5- fluoro- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: Fc1cn(CC=C)c(=O)[nH]c1=O

STK759784
Synonyms: diethyl6- hydroxy- 6- methyl- 2- phenyl- 4- (phenylamino)cyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccccc1)C(=O)OCC)(C)O

STK675135
Synonyms: (2Z,5Z)- 3- hydroxy- 1- phenyl- 5- (2'H- spiro[cyclohexane- 1,3'- isoquinolin]- 1'(4'H)- ylidene)pent- 2- ene- 1,4- dione
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)/C=C/1\NC2(CCCCC2)Cc2c1cccc2

STK675136
Synonyms: (2E)- 2- (furan- 2- ylmethylidene)hydrazinecarboximidamide
Smiles: NC(=N)N/N=C/c1ccco1

STK759789
Synonyms: diethyl6- hydroxy- 2- (4- methoxyphenyl)- 6- methyl- 4- (phenylamino)cyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(CC(C(C1c1ccc(cc1)OC)C(=O)OCC)(C)O)Nc1ccccc1

STK675141
Synonyms: N- [(2Z)- 4- (4- bromophenyl)- 3- (4- chlorobenzyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- (trifluoromethyl)aniline
Smiles: Clc1ccc(cc1)Cn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc(cc1)Br

STK759796
Synonyms: 6- (1H- benzotriazol- 1- yl)- 3- (trifluoromethyl)[1,2,4]triazolo[4,3- b]pyridazine
Smiles: FC(c1nnc2n1nc(cc2)n1nnc2c1cccc2)(F)F

STK759799
Synonyms: diethyl5,5'- [1,3,4- thiadiazole- 2,5- diylbis(sulfanediylmethanediyl)]bis(2- oxo- 2,3- dihydro- 1H- imidazole- 4- carboxylate)
Smiles: CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nnc(s1)SCc1[nH]c(=O)[nH]c1C(=O)OCC

STK759805
Synonyms: N- [(2Z)- 4- (naphthalen- 2- yl)- 3- propyl- 1,3- thiazol- 2(3H)- ylidene]- 3- (trifluoromethyl)aniline
Smiles: CCCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc2c(c1)cccc2

STK675149
Synonyms: 2- chloro- 5- {(4Z)- 4- [4- (diethylamino)benzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C)CC

STK759807
Synonyms: N'- [2,6- di(piperidin- 1- yl)pyrimidin- 4- yl]benzohydrazide
Smiles: O=C(c1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1

STK759813
Synonyms: 5- (4- methylbenzylidene)- 1,3- diphenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)/C=C/1\C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1

STK759815
Synonyms: 4- {(Z)- [1- (3- bromophenyl)- 3- methyl- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene]methyl}- 2- methoxyphenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)Br)C

STK675151
Synonyms: 1- [({(Z)- (4- amino- 1,2,5- oxadiazol- 3- yl)[4- (2- chloro- 4- nitrophenyl)piperazin- 1- yl]methylidene}amino)oxy]ethanone
Smiles: CC(=O)O/N=C(/c1nonc1N)\N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

STK759824
Synonyms: 3- (4- chlorophenyl)- 1- (4- methylphenyl)- 1H- pyrazol- 5- amine
Smiles: Cc1ccc(cc1)n1nc(cc1N)c1ccc(cc1)Cl

STK759835
Synonyms: (2Z)- 2- (2,5- dimethoxybenzylidene)- 5,6- diphenylimidazo[2,1- b][1,3]thiazol- 3(2H)- one
Smiles: COc1ccc(c(c1)/C=c/1\sc2n(c1=O)c(c(n2)c1ccccc1)c1ccccc1)OC

STK759836
Synonyms: 4- [(E)- 2- (4- hydroxy- 3,5- dimethoxyphenyl)ethenyl]- 6- (trifluoromethyl)pyrimidin- 2(1H)- one
Smiles: COc1cc(/C=C/c2nc(=O)[nH]c(c2)C(F)(F)F)cc(c1O)OC

STK675163
Synonyms: (2E)- 2- {4- [(2,4- dichlorobenzyl)oxy]- 3- methoxybenzylidene}- 5,6- diphenylimidazo[2,1- b][1,3]thiazol- 3(2H)- one
Smiles: COc1cc(ccc1OCc1ccc(cc1Cl)Cl)/C=c\1/sc2n(c1=O)c(c(n2)c1ccccc1)c1ccccc1

STK759841
Synonyms: 4- [1- (3,4- dichlorobenzyl)- 1H- benzimidazol- 2- yl]- 1,2,5- oxadiazol- 3- amine
Smiles: Clc1ccc(cc1Cl)Cn1c(nc2c1cccc2)c1nonc1N

STK759850
Synonyms: 2- ({(E)- [5- (2,3- dimethyl- 4- nitrophenyl)furan- 2- yl]methylidene}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(o2)c2ccc(c(c2C)C)[N+](=O)[O-])sc2c1CCC2

STK675167
Synonyms: 5- [(4Z)- 4- (3- bromo- 4- hydroxy- 5- methoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- chlorobenzoicacid
Smiles: COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)Br

STK675168
Synonyms: 6- (methylsulfanyl)- 9- (morpholin- 4- ylmethyl)- 9H- purine
Smiles: CSc1ncnc2c1ncn2CN1CCOCC1

STK759860
Synonyms: ethyl(4,6- dimethyl- 3- nitro- 2- oxopyridin- 1(2H)- yl)acetate
Smiles: CCOC(=O)Cn1c(C)cc(c(c1=O)[N+](=O)[O-])C

STK759861
Synonyms: methyl(4,6- dimethyl- 3- nitro- 2- oxopyridin- 1(2H)- yl)acetate
Smiles: COC(=O)Cn1c(C)cc(c(c1=O)[N+](=O)[O-])C

STK759880
Synonyms: 2- [(6- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]- N- (2- phenoxyethyl)acetamide
Smiles: O=C(CSc1sc2c(n1)ccc(c2)/N=C/c1c(F)cccc1Cl)NCCOc1ccccc1

STK759882
Synonyms: 2- [(6- amino- 1,3- benzothiazol- 2- yl)sulfanyl]- N- [2- (ethylsulfanyl)- 1,3- benzothiazol- 6- yl]acetamide
Smiles: CCSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2c(s1)cc(cc2)N

STK759891
Synonyms: 5,6- dimethylquinoxaline- 2,3- diol
Smiles: Cc1ccc2c(c1C)nc(c(n2)O)O

STK759893
Synonyms: (2Z)- 2- (3- chloro- 4- hydroxy- 5- methoxybenzylidene)- 7,8- dimethyl[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(cc(c1O)Cl)/C=c/1\sc2n(c1=O)c1c(n2)c(C)c(cc1)C

STK759894
Synonyms: N- {4- [1- (2- fluorobenzyl)- 1H- benzimidazol- 2- yl]- 1,2,5- oxadiazol- 3- yl}acetamide
Smiles: CC(=O)Nc1nonc1c1nc2c(n1Cc1ccccc1F)cccc2

STK759897
Synonyms: (2E)- 7,8- dimethyl- 2- (thiophen- 2- ylmethylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1ccc2c(c1C)nc1n2c(=O)/c(=C\c2cccs2)/s1

STK675189
Synonyms: 2- chloro- 5- [(4Z)- 4- (4- hydroxy- 3- methoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: COc1cc(ccc1O)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675190
Synonyms: 2- chloro- 5- [(4Z)- 4- (1H- indol- 3- ylmethylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1c[nH]c2c1cccc2)c1ccc(c(c1)C(=O)O)Cl

STK675191
Synonyms: 4- methyl- N- [2,2,2- trichloro- 1- (4- hydroxyphenyl)ethyl]benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)NC(C(Cl)(Cl)Cl)c1ccc(cc1)O

STK759904
Synonyms: 5- methyl- 3- (2- methylpropyl)- 1- (prop- 2- en- 1- yl)pyrimidine- 2,4(1H,3H)- dione
Smiles: C=CCn1cc(C)c(=O)n(c1=O)CC(C)C

STK759908
Synonyms: 3- [(2Z)- 4- (3,4- dimethylphenyl)- 2- {[3- (trifluoromethyl)phenyl]imino}- 1,3- thiazol- 3(2H)- yl]propan- 1- ol
Smiles: OCCCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1ccc(c(c1)C)C

STK675195
Synonyms: 2- chloro- 5- [(4Z)- 4- (4- methoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: COc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK759919
Synonyms: 1,3,3,6,7- pentamethyl- 3,4- dihydroisoquinoline
Smiles: CC1=NC(C)(C)Cc2c1cc(C)c(c2)C

STK759920
Synonyms: 5,5- dimethyl- 2- (2'H- spiro[cycloheptane- 1,3'- isoquinolin]- 1'(4'H)- ylidene)cyclohexane- 1,3- dione
Smiles: O=C1CC(C)(C)CC(=O)C1=C1NC2(CCCCCC2)Cc2c1cccc2

STK759930
Synonyms: diethyl2- (4- chlorophenyl)- 6- hydroxy- 6- methyl- 4- (phenylamino)cyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)Cl)C(=O)OCC)(C)O

STK675203
Synonyms: 2- chloro- 5- [(4E)- 3- methyl- 5- oxo- 4- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)C(F)(F)F)c1ccc(c(c1)C(=O)O)Cl

STK675205
Synonyms: [(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indol- 5- yl](tricyclo[3.3.1.1~3,7~]dec- 1- yl)methanone
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)C12CC3CC(C2)CC(C1)C3

STK759933
Synonyms: (2Z)- 2- {4- [(6- chloro- 1,3- benzodioxol- 5- yl)methoxy]- 3- methoxybenzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(ccc1OCc1cc2OCOc2cc1Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK675206
Synonyms: 2,4- dichloro- N- [5- (1,3- dioxooctahydro- 2H- isoindol- 2- yl)- 2- methoxyphenyl]benzamide
Smiles: COc1ccc(cc1NC(=O)c1ccc(cc1Cl)Cl)N1C(=O)C2C(C1=O)CCCC2

STK759935
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- ({[5- (prop- 2- en- 1- yl)- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl]sulfanyl}methyl)- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1nnc2c(n1)n(CC=C)c1c2cccc1)c1nonc1N

STK759936
Synonyms: ethyl1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[(5- propyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)sulfanyl]methyl}- 1H- 1,2,3- triazole- 4- carboxylate
Smiles: CCOC(=O)c1nnn(c1CSc1nnc2c(n1)n(CCC)c1c2cccc1)c1nonc1N

STK675208
Synonyms: 6- (3,4- dimethoxyphenyl)- 5,7- diphenyl- 2,3,6,7- tetrahydropyrrolo[3,4- e][1,4]diazepin- 8(1H)- one
Smiles: COc1cc(ccc1OC)C1N(c2ccccc2)C(=O)C2=C1C(=NCCN2)c1ccccc1

STK759940
Synonyms: 1- (4- nitrobenzyl)- 1,9- dihydro- 6H- purin- 6- one
Smiles: [O-][N+](=O)c1ccc(cc1)Cn1cnc2c(c1=O)nc[nH]2

STK759941
Synonyms: ethyl(9H- purin- 6- ylsulfanyl)acetate
Smiles: CCOC(=O)CSc1ncnc2c1nc[nH]2

STK759942
Synonyms: 2- (dichloromethyl)- 4- phenyl- 3H- 1,5- benzodiazepine
Smiles: ClC(C1=Nc2ccccc2N=C(C1)c1ccccc1)Cl

STK675210
Synonyms: (2S,3R,6S,7S)- 6,7,9,10- tetrahydro- 5H- 3,6- epoxy- 2,7- methano[1,3]thiazolo[2,3- e][1,4,6]oxadiazonin- 2(3H)- ol
Smiles: O[C@]12C[C@@H]([C@@H]3O[C@H]2OC3)N2C(=N1)SCC2

STK675211
Synonyms: (3Z)- 3- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)butan- 2- one
Smiles: COc1cc2c(cc1OC)CCN/C/2=C(\C(=O)C)/C

STK759946
Synonyms: N'- [(1E)- 1- (thiophen- 2- yl)ethylidene]- 2- (1H- 1,2,4- triazol- 5- ylsulfanyl)acetohydrazide
Smiles: O=C(CSc1ncn[nH]1)N/N=C(/c1cccs1)\C

STK759947
Synonyms: 1,1'- (buta- 1,3- diene- 2,3- diyldisulfonyl)bis(4- chlorobenzene)
Smiles: C=C(S(=O)(=O)c1ccc(cc1)Cl)C(=C)S(=O)(=O)c1ccc(cc1)Cl

STK759957
Synonyms: (2E)- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl][2- (4- methoxyphenyl)hydrazinylidene]ethanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)OC)/c1scc(n1)c1ccc(cc1)Cl

STK759958
Synonyms: (2E)- 3- (azepan- 1- yl)- 2- [2- (4- fluorophenyl)hydrazinylidene]- 3- iminopropanenitrile
Smiles: N#C/C(=N\Nc1ccc(cc1)F)/C(=N)N1CCCCCC1

STK759961
Synonyms: tert- butyl6- amino- 5- cyano- 4- (furan- 2- yl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccco1)C(=O)OC(C)(C)C)C

STK759962
Synonyms: tert- butyl6- amino- 5- cyano- 4- (2,4- dichlorophenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1ccc(cc1Cl)Cl)C(=O)OC(C)(C)C)C

STK759963
Synonyms: tert- butyl6- amino- 5- cyano- 2- methyl- 4- (pyridin- 3- yl)- 4H- pyran- 3- carboxylate
Smiles: N#CC1=C(N)OC(=C(C1c1cccnc1)C(=O)OC(C)(C)C)C

STK759974
Synonyms: (2E)- 2- [4- (4- fluorophenyl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1ccc(cc1)F

STK675217
Synonyms: 1- [3- (4- methylpiperazin- 1- yl)prop- 1- yn- 1- yl]cyclohexylacetate
Smiles: CN1CCN(CC1)CC#CC1(CCCCC1)OC(=O)C

STK759979
Synonyms: N''- {(E)- [5- nitro- 2- (piperidin- 1- yl)phenyl]methylidene}carbonohydrazonicdiamide
Smiles: NC(=N/N=C/c1cc(ccc1N1CCCCC1)[N+](=O)[O-])N

STK759982
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- iodo- 1H- phenanthro[9,10- d]imidazole
Smiles: COc1cc(ccc1OC)c1nc2c([nH]1)c1ccccc1c1c2cc(I)cc1

STK759983
Synonyms: 5- (4- bromophenyl)- 4- [(4- chlorophenyl)carbonyl]- 3- hydroxy- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc(cc1)Br

STK759985
Synonyms: 5- (2- chlorophenyl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccccc1Cl

STK675222
Synonyms: 5- (1,3- benzodioxol- 5- yl)- 3- hydroxy- 4- [(4- methylphenyl)carbonyl]- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Cc1ccc(cc1)C(=O)C1=C(O)C(=O)NC1c1ccc2c(c1)OCO2

STK760003
Synonyms: diethyl2- (4- fluorophenyl)- 6- hydroxy- 6- methyl- 4- (phenylamino)cyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)F)C(=O)OCC)(C)O

STK760006
Synonyms: quinolin- 8- yl(1E)- N- (2,4- dichlorophenyl)- 2- oxopropanehydrazonothioate
Smiles: Clc1ccc(c(c1)Cl)N/N=C(\C(=O)C)/Sc1cccc2c1nccc2

STK675225
Synonyms: 5- {[(4aS,9bR)- 2,8- dimethyl- 1,2,3,4,4a,9b- hexahydro- 5H- pyrido[4,3- b]indol- 5- yl]sulfonyl}- 6- methylpyrimidine- 2,4(1H,3H)- dione
Smiles: CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O

STK760016
Synonyms: N- (2- hydroxyethyl)- 4- methyl- N- phenylbenzenesulfonamide
Smiles: OCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1

STK760023
Synonyms: 5- [4- (dimethylamino)- 3- nitrobenzylidene]- 1,3- diphenyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(c2ccccc2)C(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccccc1

STK760030
Synonyms: (5- bromo- 1- benzofuran- 2- yl)[1- (4- ethoxyphenyl)- 1,3,4,9- tetrahydro- 2H- beta- carbolin- 2- yl]methanone
Smiles: CCOc1ccc(cc1)C1N(CCc2c1[nH]c1c2cccc1)C(=O)c1cc2c(o1)ccc(c2)Br

STK675244
Synonyms: [(2Z)- 2- (3,4- dimethoxybenzylidene)- 3- oxo- 2,3- dihydro- 1H- inden- 1- ylidene]propanedinitrile
Smiles: COc1ccc(cc1OC)/C=C/1\C(=O)c2c(C1=C(C#N)C#N)cccc2

STK675247
Synonyms: N- {4- [(2,6- dichlorobenzyl)oxy]benzyl}- 1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethanamine
Smiles: CC(C12CC3CC(C2)CC(C1)C3)NCc1ccc(cc1)OCc1c(Cl)cccc1Cl

STK675248
Synonyms: 2- (3- chloro- 4- {[(2,4- dichlorophenyl)carbonyl]amino}phenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK675249
Synonyms: 2- [4- (acetylamino)- 3,5- dichlorophenyl]- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: CC(=O)Nc1c(Cl)cc(cc1Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK675250
Synonyms: 2- (3- {[(2,4- dichlorophenyl)carbonyl]amino}- 4- methoxyphenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: COc1ccc(cc1NC(=O)c1ccc(cc1Cl)Cl)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK675257
Synonyms: 2- (1,3- benzodioxol- 5- yl)- 1- (1- benzofuran- 2- ylcarbonyl)- 1,2- dihydro- 4H- 3,1- benzoxazin- 4- one
Smiles: O=C1OC(c2ccc3c(c2)OCO3)N(c2c1cccc2)C(=O)c1cc2c(o1)cccc2

STK760044
Synonyms: 4- (3,4- dimethylphenyl)- 3,5- diphenyl- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1C)n1c(nnc1c1ccccc1)c1ccccc1

STK760057
Synonyms: (5Z)- 5- {3- [(4- fluorobenzyl)oxy]benzylidene}- 2- thioxoimidazolidin- 4- one
Smiles: S=C1NC(=O)/C(=C/c2cccc(c2)OCc2ccc(cc2)F)/N1

STK675263
Synonyms: [2- oxo- 3- (2- oxopropyl)- 2,3- dihydro- 1H- indol- 3- yl]propanedinitrile
Smiles: N#CC(C1(CC(=O)C)C(=O)Nc2c1cccc2)C#N

STK760069
Synonyms: ethyl7- chloro- 1- ethyl- 6- nitro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2)Cl)[N+](=O)[O-]

STK760071
Synonyms: (4E)- N- hydroxy- 6,7- dihydro- 2,1,3- benzoxadiazol- 4(5H)- imine
Smiles: O/N=C/1\CCCc2c1non2

STK760073
Synonyms: 1- (5- nitro- 2H- tetrazol- 2- yl)propan- 2- one
Smiles: CC(=O)Cn1nnc(n1)[N+](=O)[O-]

STK760074
Synonyms: 1- methyl- 4- nitro- 1H- imidazole
Smiles: [O-][N+](=O)c1cn(cn1)C

STK760075
Synonyms: [(1E)- 2- nitroprop- 1- en- 1- yl]benzene
Smiles: C/C(=C\c1ccccc1)/[N+](=O)[O-]

STK675278
Synonyms: (4- {(E)- [4- (carboxymethyl)- 1,2,5- oxadiazol- 3- yl]- NNO- azoxy}- 1,2,5- oxadiazol- 3- yl)aceticacid
Smiles: OC(=O)Cc1nonc1/N=[N+](\c1nonc1CC(=O)O)/[O-]

STK760078
Synonyms: N,N'- (1,2- dihydroxyethane- 1,2- diyl)diacetamide
Smiles: OC(C(NC(=O)C)O)NC(=O)C

STK675279
Synonyms: 2- (2,2,6,6- tetramethylpiperidin- 4- yl)ethanol
Smiles: OCCC1CC(C)(C)NC(C1)(C)C

STK760080
Synonyms: (2E)- 1- cyclopropyl- 3- (furan- 2- yl)prop- 2- en- 1- one
Smiles: O=C(C1CC1)/C=C/c1ccco1

STK760083
Synonyms: 4- [(pyridin- 3- ylcarbonyl)amino]butanoicacid
Smiles: OC(=O)CCCNC(=O)c1cccnc1

STK760085
Synonyms: N- (4- nitrophenyl)- Nalpha- (phenylcarbonyl)phenylalaninamide
Smiles: O=C(C(NC(=O)c1ccccc1)Cc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]

STK760088
Synonyms: 3- (hexyloxy)aniline
Smiles: CCCCCCOc1cccc(c1)N

STK675287
Synonyms: 2- [4- (dimethylamino)benzyl]- 1H- indene- 1,3(2H)- dione
Smiles: CN(c1ccc(cc1)CC1C(=O)c2c(C1=O)cccc2)C

STK760092
Synonyms: 4,4'- methanediylbis(2- methylaniline)
Smiles: Nc1ccc(cc1C)Cc1ccc(c(c1)C)N

STK760093
Synonyms: 2- hydroxy- 5- [(E)- phenyldiazenyl]benzaldehyde
Smiles: O=Cc1cc(/N=N/c2ccccc2)ccc1O

STK760097
Synonyms: 9,11- dinitrobenzo[b]naphtho[1,2- f]oxepine
Smiles: [O-][N+](=O)c1cc(cc2c1C=Cc1c(O2)ccc2c1cccc2)[N+](=O)[O-]

STK760101
Synonyms: 3- amino- 4,6- dimethylpyridin- 2(1H)- one
Smiles: Cc1cc(C)[nH]c(=O)c1N

STK760104
Synonyms: N- (1H- benzotriazol- 1- ylmethyl)- 4- (1,2,4- oxadiazol- 3- yl)- 1,2,5- oxadiazol- 3- amine
Smiles: o1nc(c(n1)c1nocn1)NCn1nnc2c1cccc2

STK675301
Synonyms: 4- [(1H- benzotriazol- 1- ylmethyl)amino]- 1,2,5- oxadiazole- 3- carboxylicacid
Smiles: OC(=O)c1nonc1NCn1nnc2c1cccc2

STK760108
Synonyms: 7'- amino- 1- methyl- 2,2',4'- trioxo- 1,1',2,2',3',4'- hexahydrospiro[indole- 3,5'- pyrano[2,3- d]pyrimidine]- 6'- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C31c1ccccc1N(C3=O)C)c(=O)[nH]c(=O)[nH]2

STK675311
Synonyms: 5- {(4Z)- 4- [4- (acetyloxy)- 3- methoxybenzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}- 2- chlorobenzoicacid
Smiles: COc1cc(ccc1OC(=O)C)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK760117
Synonyms: quinolin- 8- yl4- methyl- 3- [(4- methylpiperidin- 1- yl)sulfonyl]benzoate
Smiles: CC1CCN(CC1)S(=O)(=O)c1cc(ccc1C)C(=O)Oc1cccc2c1nccc2

STK760135
Synonyms: N- [(2Z)- 3- [2- (3,4- dimethoxyphenyl)ethyl]- 4- (2,5- dimethylphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- (trifluoromethyl)aniline
Smiles: COc1ccc(cc1OC)CCn1/c(=N/c2cccc(c2)C(F)(F)F)/scc1c1cc(C)ccc1C

STK760139
Synonyms: methyl4- (3- {[N'- (1,3- benzodioxol- 5- yl)- N- ethylcarbamimidoyl]sulfanyl}- 2,5- dioxopyrrolidin- 1- yl)benzoate
Smiles: CCN/C(=N\c1ccc2c(c1)OCO2)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC

STK675325
Synonyms: 2- chloro- 5- [(4E)- 3- methyl- 5- oxo- 4- (thiophen- 2- ylmethylidene)- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1cccs1)c1ccc(c(c1)C(=O)O)Cl

STK675326
Synonyms: 2- chloro- 5- [(4E)- 4- (2- fluorobenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccccc1F)c1ccc(c(c1)C(=O)O)Cl

STK760154
Synonyms: (3Z)- 3- (bromoimino)- 1,5,5- trimethyl- 2- oxabicyclo[2.2.1]heptane- 4,7,7- tricarbonitrile
Smiles: Br/N=C/1\OC2(C(C1(C#N)C(C2)(C)C)(C#N)C#N)C

STK760158
Synonyms: 2- [(6- {[(E)- (4- fluorophenyl)methylidene]amino}- 1,3- benzothiazol- 2- yl)sulfanyl]- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1sc2c(n1)ccc(c2)/N=C/c1ccc(cc1)F

STK760162
Synonyms: 2- (4- butyl- 3,5- dioxo- 1,2- diphenylpyrazolidin- 4- yl)- N- (4- fluorophenyl)acetamide
Smiles: CCCCC1(CC(=O)Nc2ccc(cc2)F)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

STK760167
Synonyms: 2- amino- 7,7- dimethyl- 1- (2- methylphenyl)- 5- oxo- 4- (thiophen- 3- yl)- 1,4,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(N)N(c2ccccc2C)C2=C(C1c1ccsc1)C(=O)CC(C2)(C)C

STK760172
Synonyms: 2- amino- 1,5- diphenyl- 1H- pyrrole- 3,4- dicarbonitrile
Smiles: N#Cc1c(C#N)c(n(c1c1ccccc1)c1ccccc1)N

STK760176
Synonyms: (4,5- difluoro- 2- methylphenyl)[4- (2- fluoro- 4- nitrophenyl)piperazin- 1- yl]methanone
Smiles: Fc1cc(ccc1N1CCN(CC1)C(=O)c1cc(F)c(cc1C)F)[N+](=O)[O-]

STK675334
Synonyms: (3E,8xi,9xi,14xi,16alpha,20Z)- 16- ethyl- N~3~,N~20~- dihydroxypregn- 4- ene- 3,20- diimine
Smiles: CC[C@@H]1CC2[C@]([C@H]1/C(=N\O)/C)(C)CCC1C2CCC2=C/C(=N/O)/CC[C@]12C

STK675335
Synonyms: (2E,5E)- 3- cyclopentyl- 5- (4- hydroxy- 3- iodo- 5- methoxybenzylidene)- 2- (phenylimino)- 1,3- thiazolidin- 4- one
Smiles: COc1cc(/C=C\2/S/C(=N/c3ccccc3)/N(C2=O)C2CCCC2)cc(c1O)I

STK675338
Synonyms: 2- chloro- 5- [(4Z)- 4- (2,4- dichlorobenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675339
Synonyms: 2- chloro- 5- {(4Z)- 4- [4- (cyanomethoxy)- 3- methoxybenzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: N#CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675340
Synonyms: 2- chloro- 5- {(4Z)- 4- [3- methoxy- 4- (prop- 2- en- 1- yloxy)benzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: C=CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675341
Synonyms: 2- chloro- 5- [(4E)- 3- methyl- 4- {[5- (2- nitrophenyl)furan- 2- yl]methylidene}- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])c1ccc(c(c1)C(=O)O)Cl

STK675342
Synonyms: 2- chloro- 5- {(4Z)- 3- methyl- 4- [4- (methylsulfanyl)benzylidene]- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: CSc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675346
Synonyms: 1,3- dimethyl- 2- thioxo- 5- ({5- [3- (trifluoromethyl)phenyl]furan- 2- yl}methylidene)dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: S=C1N(C)C(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C(=O)N1C

STK675350
Synonyms: N'- [2,6- di(morpholin- 4- yl)pyrimidin- 4- yl]tricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1

STK760201
Synonyms: N'- [2,6- di(pyrrolidin- 1- yl)pyrimidin- 4- yl]propanehydrazide
Smiles: CCC(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1

STK675351
Synonyms: N,N,N',N',N'',N'',N''',N'''- octamethyl- 7,14- bis(trifluoromethyl)- 7H,14H- 7,14- epoxycycloocta[1,2,3- de:5,6,7- d'e']dinaphthalene- 3,4,10,11- tetramine
Smiles: CN(c1ccc2c3c1c(ccc3C1(OC2(c2ccc(c3c2c1ccc3N(C)C)N(C)C)C(F)(F)F)C(F)(F)F)N(C)C)C

STK675352
Synonyms: 5- phenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)C1=CCn2c(N1)ncn2

STK760206
Synonyms: N- [5- ({2- [(4- acetylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]- 2- [(7- amino- 7H- [1,2,4]triazolo[4,3- b][1,2,4]triazol- 3- yl)sulfanyl]acetamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1ccc(cc1)C(=O)C)CSc1nnc2n1ncn2N

STK760211
Synonyms: 1- [(4- bromobenzyl)oxy]- 6- nitro- 1H- benzotriazole
Smiles: Brc1ccc(cc1)COn1nnc2c1cc(cc2)[N+](=O)[O-]

STK675358
Synonyms: dimethyl5- ({[3- bromo- 5- (5- bromofuran- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl]carbonyl}amino)- 3- methylthiophene- 2,4- dicarboxylate
Smiles: COC(=O)c1c(NC(=O)c2nn3c(c2Br)nc(cc3C(F)(F)F)c2ccc(o2)Br)sc(c1C)C(=O)OC

STK760218
Synonyms: 3- bromo- 5- (furan- 2- yl)- N- (propan- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CC(NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)C

STK675360
Synonyms: 3- ({[3- (morpholin- 4- ylsulfonyl)phenyl]carbonyl}amino)phenyl3- (azepan- 1- ylsulfonyl)benzoate
Smiles: O=C(c1cccc(c1)S(=O)(=O)N1CCOCC1)Nc1cccc(c1)OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1

STK675366
Synonyms: 2,4,6- trichloro- 5- nitropyridine- 3- carboxylicacid
Smiles: [O-][N+](=O)c1c(Cl)nc(c(c1Cl)C(=O)O)Cl

STK760235
Synonyms: 4- [(4- fluorophenyl)sulfamoyl]- N- phenylthiophene- 2- carboxamide
Smiles: Fc1ccc(cc1)NS(=O)(=O)c1csc(c1)C(=O)Nc1ccccc1

STK760241
Synonyms: N- (3- methoxypropyl)- 2- oxo- 2- {(2E)- 2- [3- (prop- 2- en- 1- yloxy)benzylidene]hydrazinyl}acetamide
Smiles: COCCCNC(=O)C(=O)N/N=C/c1cccc(c1)OCC=C

STK760244
Synonyms: 2- amino- 6- cyclopropyl- 5- (3- nitro- 1H- 1,2,4- triazol- 1- yl)- 4- phenyl- 4H- pyran- 3- carbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1ccccc1)n1cnc(n1)[N+](=O)[O-])C1CC1

STK675371
Synonyms: 3- benzyl- 5,6,6- trimethyl- 3,6- dihydro- 2H- 1,3,4- oxadiazin- 2- one
Smiles: O=C1OC(C)(C)C(=NN1Cc1ccccc1)C

STK675375
Synonyms: 2- {[2- hydroxy- 3- (morpholin- 4- yl)propyl]sulfanyl}- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(CN2CCOCC2)O)nc(cc1c1ccccc1)c1ccccc1

STK675376
Synonyms: 3- amino- 6- propylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCCc1ccc2c(n1)sc(c2N)C(=O)N

STK760251
Synonyms: 3,3'- bi- 1,2,5- oxadiazole- 4,4'- diamine
Smiles: Nc1nonc1c1nonc1N

STK760254
Synonyms: 2,3,3- trichloroprop- 2- en- 1- yl6- [(2,4- dimethoxypyrimidin- 5- yl)carbamoyl]cyclohex- 3- ene- 1- carboxylate
Smiles: COc1nc(OC)ncc1NC(=O)C1CC=CCC1C(=O)OCC(=C(Cl)Cl)Cl

STK760255
Synonyms: N'- [(1E)- 1- phenylethylidene]- 1- (phenylsulfonyl)piperidine- 4- carbohydrazide
Smiles: O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1)N/N=C(/c1ccccc1)\C

STK760260
Synonyms: 5- (biphenyl- 4- yl)- 5- ethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)c1ccccc1

STK760264
Synonyms: (4- bromo- 3,5- dimethyl- 1H- pyrazol- 1- yl)(1- methyl- 4- nitro- 1H- pyrazol- 3- yl)methanone
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)n1nc(c(c1C)Br)C

STK760265
Synonyms: (4- bromo- 1H- pyrazol- 1- yl)(1- methyl- 4- nitro- 1H- pyrazol- 3- yl)methanone
Smiles: Brc1cnn(c1)C(=O)c1nn(cc1[N+](=O)[O-])C

STK760266
Synonyms: (4- chloro- 3,5- dimethyl- 1H- pyrazol- 1- yl)(phenyl)methanone
Smiles: Cc1nn(c(c1Cl)C)C(=O)c1ccccc1

STK675380
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (azepan- 1- ylmethyl)- N'- [(E)- (2- ethoxyphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCOc1ccccc1/C=N/NC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N

STK760269
Synonyms: N'- [(E)- furan- 2- ylmethylidene]- 2- (4- methoxyphenyl)- 2,3- dihydro- 1H- isoindole- 5- carbohydrazide
Smiles: COc1ccc(cc1)N1Cc2c(C1)cc(cc2)C(=O)N/N=C/c1ccco1

STK760270
Synonyms: 3- amino- 5- [2- (4- bromophenyl)- 2- oxoethyl]- 4,6- dimethylthieno[2,3- b]pyridine- 2- carbonitrile
Smiles: N#Cc1sc2c(c1N)c(C)c(c(n2)C)CC(=O)c1ccc(cc1)Br

STK760271
Synonyms: 4- (1H- benzotriazol- 1- yl)- 3- nitrobenzonitrile
Smiles: N#Cc1ccc(c(c1)[N+](=O)[O-])n1nnc2c1cccc2

STK760277
Synonyms: 2- (2,4- dichlorophenoxy)- 1- (3- nitro- 1H- pyrazol- 1- yl)ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)n1ccc(n1)[N+](=O)[O-]

STK675389
Synonyms: 2- chloro- 5- [(4Z)- 4- (2- methoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: COc1ccccc1/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675392
Synonyms: 2- {5- [(E)- (2- {[(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]acetyl}hydrazinylidene)methyl]furan- 2- yl}benzoicacid
Smiles: O=C(CSc1nnnn1c1ccccc1)N/N=C/c1ccc(o1)c1ccccc1C(=O)O

STK760288
Synonyms: 2- (4- chlorophenoxy)- N- (2,4- dichlorophenyl)pyridine- 3- carboxamide
Smiles: Clc1ccc(cc1)Oc1ncccc1C(=O)Nc1ccc(cc1Cl)Cl

STK760290
Synonyms: 2- methoxy- 4,6- dimethylpyridine- 3- carboxamide
Smiles: COc1nc(C)cc(c1C(=O)N)C

STK760298
Synonyms: 3- bromo- 5- (furan- 2- yl)- N- (2- methylpropyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CC(CNC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1)C

STK760299
Synonyms: 3- bromo- 5- (furan- 2- yl)- N- propyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CCCNC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1ccco1

STK675398
Synonyms: [5- (4- bromophenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 2- yl](4- methylpiperazin- 1- yl)methanone
Smiles: CN1CCN(CC1)C(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK760302
Synonyms: methyl5- (4- bromophenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 3- carboxylate
Smiles: COC(=O)c1cnn2c1nc(cc2C(F)(F)F)c1ccc(cc1)Br

STK760303
Synonyms: N- [1- (bicyclo[2.2.1]hept- 2- yl)ethyl]- 3- bromo- 5- (thiophen- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CC(C1CC2CC1CC2)NC(=O)c1nn2c(c1Br)nc(cc2C(F)(F)F)c1cccs1

STK760304
Synonyms: 5- (4- bromophenyl)- N- (4- chlorobenzyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)c1cc2n(n1)c(cc(n2)c1ccc(cc1)Br)C(F)(F)F

STK760305
Synonyms: 5- (4- bromophenyl)- N- (propan- 2- yl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: CC(NC(=O)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)Br)C

STK675402
Synonyms: N- (2,6- dimethoxypyrimidin- 4- yl)- 2,6- difluorobenzamide
Smiles: COc1nc(OC)nc(c1)NC(=O)c1c(F)cccc1F

STK760318
Synonyms: 1- [(2,2- dichloroethenyl)sulfonyl]- 4- methylbenzene
Smiles: ClC(=CS(=O)(=O)c1ccc(cc1)C)Cl

STK760322
Synonyms: 3- methoxy- 4,6- dinitro- 1,2- benzothiazole
Smiles: COc1nsc2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

STK760327
Synonyms: 3- amino- 4,6- dimethyl- 5- (2- oxo- 2- phenylethyl)thieno[2,3- b]pyridine- 2- carbonitrile
Smiles: N#Cc1sc2c(c1N)c(C)c(c(n2)C)CC(=O)c1ccccc1

STK760328
Synonyms: 3- amino- 4,6- dimethyl- 5- (2- oxo- 2- phenylethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: O=C(c1ccccc1)Cc1c(C)nc2c(c1C)c(N)c(s2)C(=O)N

STK760332
Synonyms: 5- methyl- 3H- pyrimido[4',5':3,4]pyrazolo[1,5- a]benzimidazol- 4(5H)- one
Smiles: O=c1[nH]cnc2c1c1n(C)c3c(n1n2)cccc3

STK675409
Synonyms: N- [(2- {[(1S,2S)- 2- phenylcyclopropyl]carbonyl}hydrazinyl)carbonothioyl]biphenyl- 4- carboxamide
Smiles: S=C(NC(=O)c1ccc(cc1)c1ccccc1)NNC(=O)[C@H]1C[C@@H]1c1ccccc1

STK675412
Synonyms: 2- (3- nitro- 1H- 1,2,4- triazol- 1- yl)- 1- (10H- phenothiazin- 10- yl)ethanone
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Cn1cnc(n1)[N+](=O)[O-]

STK675414
Synonyms: N- [1,1,1,3,3,3- hexafluoro- 2- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)propan- 2- yl]propanamide
Smiles: CCC(=O)NC(C(F)(F)F)(C(F)(F)F)c1c(C)nn(c1O)c1ccccc1

STK675415
Synonyms: 2- (methylsulfanyl)- 7- oxo- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine- 6- carboxylicacid
Smiles: CSc1nn2c(n1)[nH]cc(c2=O)C(=O)O

STK760340
Synonyms: ethyl3,3,3- trifluoro- 2- (propanoylamino)- N- [3- (trifluoromethyl)quinoxalin- 2- yl]alaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1nc2ccccc2nc1C(F)(F)F)NC(=O)CC

STK760343
Synonyms: 2- [(E)- ({2- [(2,5- dichlorobenzyl)sulfanyl]- 1,3- benzothiazol- 6- yl}imino)methyl]phenol
Smiles: Clc1ccc(c(c1)CSc1sc2c(n1)ccc(c2)/N=C/c1ccccc1O)Cl

STK760344
Synonyms: 1- [(E)- ({2- [(2,5- dichlorobenzyl)sulfanyl]- 1,3- benzothiazol- 6- yl}imino)methyl]naphthalen- 2- ol
Smiles: Clc1ccc(c(c1)CSc1nc2c(s1)cc(cc2)/N=C/c1c(O)ccc2c1cccc2)Cl

STK760345
Synonyms: 5- (4- bromophenyl)- 3- chloro- N- (3,4- dimethylphenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: Brc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1ccc(c(c1)C)C

STK760346
Synonyms: 5- (4- bromophenyl)- N- (3- methoxy- 5- nitrophenyl)- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidine- 2- carboxamide
Smiles: COc1cc(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(cc2)Br)C(F)(F)F)cc(c1)[N+](=O)[O-]

STK760347
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl[5- phenyl- 7- (trifluoromethyl)pyrazolo[1,5- a]pyrimidin- 3- yl]methanone
Smiles: O=C(c1cnn2c1nc(cc2C(F)(F)F)c1ccccc1)N1CCc2c(C1)cccc2

STK675423
Synonyms: 3,3'- dimethyl- 8,8'- bis[(E)- (2- phenylhydrazinylidene)methyl]- 5,5'- di(propan- 2- yl)- 2,2'- binaphthalene- 1,1',6,6',7,7'- hexol
Smiles: Cc1cc2c(C(C)C)c(O)c(c(c2c(c1c1c(C)cc2c(c1O)c(/C=N/Nc1ccccc1)c(c(c2C(C)C)O)O)O)/C=N/Nc1ccccc1)O

STK760362
Synonyms: methyl6- amino- 5- cyano- 4- (2,4- dimethylphenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(cc1C)C)C#N)N

STK760363
Synonyms: methyl6- amino- 4- (5- bromothiophen- 2- yl)- 5- cyano- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(C)OC(=C(C1c1ccc(s1)Br)C#N)N

STK760364
Synonyms: 2- amino- 4- (5- butylthiophen- 2- yl)- 4a,5,6,7- tetrahydronaphthalene- 1,3,3(4H)- tricarbonitrile
Smiles: CCCCc1ccc(s1)C1C2CCCC=C2C(=C(C1(C#N)C#N)N)C#N

STK760366
Synonyms: 3- [1- (3- phenylprop- 2- yn- 1- yl)piperidinium- 1- yl]propane- 1- sulfonate
Smiles: [O-]S(=O)(=O)CCC[N+]1(CCCCC1)CC#Cc1ccccc1

STK760367
Synonyms: methyl1- [(1- methyl- 4- nitro- 1H- pyrazol- 3- yl)carbonyl]- 1H- indole- 3- carboxylate
Smiles: COC(=O)c1cn(c2c1cccc2)C(=O)c1nn(cc1[N+](=O)[O-])C

STK760370
Synonyms: 5- amino- 3- {(Z)- 2- [3- bromo- 4- (cyanomethoxy)- 5- methoxyphenyl]- 1- cyanoethenyl}- 1- phenyl- 1H- pyrazole- 4- carbonitrile
Smiles: N#CCOc1c(Br)cc(cc1OC)/C=C(/c1nn(c(c1C#N)N)c1ccccc1)\C#N

STK675429
Synonyms: 3,6- dimethyl- 8- nitro- 1,4- dihydroimidazo[5,1- c][1,2,4]triazine
Smiles: CC1=NNc2n(C1)c(C)nc2[N+](=O)[O-]

STK760380
Synonyms: 1- [5- hydroxy- 3- methyl- 5- (pyridin- 3- yl)- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- (4- methylphenyl)ethanone
Smiles: Cc1ccc(cc1)CC(=O)N1N=C(CC1(O)c1cccnc1)C

STK760381
Synonyms: [3- amino- 4- (methoxymethyl)- 6- methylfuro[2,3- b]pyridin- 2- yl](phenyl)methanone
Smiles: COCc1cc(C)nc2c1c(N)c(o2)C(=O)c1ccccc1

STK760383
Synonyms: [3- (azepan- 1- ylsulfonyl)phenyl](2,3- dihydro- 1H- indol- 1- yl)methanone
Smiles: O=C(N1CCc2c1cccc2)c1cccc(c1)S(=O)(=O)N1CCCCCC1

STK760386
Synonyms: 1H- benzotriazol- 1- yl(naphthalen- 1- yl)methanone
Smiles: O=C(n1nnc2c1cccc2)c1cccc2c1cccc2

STK760387
Synonyms: 5- (4- chlorophenyl)- 1- phenyl- 3- (phenylamino)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1ccc(cc1)C1C=C(C(=O)N1c1ccccc1)Nc1ccccc1

STK760390
Synonyms: N- (3- chlorophenyl)- 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)propanamide
Smiles: O=C(Nc1cccc(c1)Cl)CCN1C(=O)c2c(C1=O)cccc2

STK675433
Synonyms: N,N'- bis{(E)- [4- (dimethylamino)- 3- nitrophenyl]methylidene}- 3,3'- dimethylbiphenyl- 4,4'- diamine
Smiles: Cc1cc(ccc1/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(c(c1)C)/N=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C

STK760398
Synonyms: 5- (phenylamino)- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: O=C1c2ccccc2c2c3c1c(ccc3no2)Nc1ccccc1

STK760401
Synonyms: anthra[1,9- cd:5,10- c'd']bis[1,2]oxazole
Smiles: c1cc2noc3c2c(c1)c1onc2c1c3ccc2

STK760404
Synonyms: N- [2- (3,4- dimethoxyphenyl)- 4- oxo- 1,4- dihydroquinazolin- 3(2H)- yl]acetamide
Smiles: COc1cc(ccc1OC)C1Nc2ccccc2C(=O)N1NC(=O)C

STK675445
Synonyms: 2- chloro- 5- {(4Z)- 4- [3,5- dibromo- 2- (prop- 2- en- 1- yloxy)benzylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl}benzoicacid
Smiles: C=CCOc1c(cc(cc1Br)Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK675446
Synonyms: 5- [(4Z)- 4- (2- bromo- 4,5- dimethoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]- 2- chlorobenzoicacid
Smiles: COc1cc(Br)c(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK760411
Synonyms: 4- methyl- 2- [5- (2- nitrophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1[N+](=O)[O-])O

STK675447
Synonyms: 2- chloro- 5- [(4E)- 4- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

STK760415
Synonyms: (1- benzyl- 1H- imidazol- 2- yl)(naphthalen- 1- yl)methanol
Smiles: OC(c1nccn1Cc1ccccc1)c1cccc2c1cccc2

STK760418
Synonyms: 4,4'- [(4- chlorobenzene- 1,3- diyl)disulfonyl]bis(2,6- dimethylmorpholine)
Smiles: CC1OC(C)CN(C1)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)N1CC(C)OC(C1)C)Cl

STK760426
Synonyms: N- (furan- 2- ylmethyl)- 3- [(4- methylpiperidin- 1- yl)sulfonyl]benzamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccco1

STK760427
Synonyms: 5,7- dichloroquinolin- 8- yl2- chloro- 5- (piperidin- 1- ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)Oc1c(Cl)cc(c2c1nccc2)Cl

STK760428
Synonyms: pyridin- 3- yl2- chloro- 5- (piperidin- 1- ylsulfonyl)benzoate
Smiles: O=C(c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)Oc1cccnc1

STK760430
Synonyms: 3- methyl- 10- (4- methylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: Cc1ccc(cc1)n1c2ccccc2cc2c1nc(=O)n(c2=O)C

STK675453
Synonyms: 4- ethoxy- N- [(2Z)- 3- methyl- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]aniline
Smiles: CCOc1ccc(cc1)/N=c/1\scc(n1C)c1ccc(cc1)C

STK760435
Synonyms: S- {2- [(5,5- dimethyl- 7- oxo- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- yl)amino]- 2- oxoethyl}benzenecarbothioate
Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)CSC(=O)c1ccccc1

STK760436
Synonyms: ethyl6- oxo- 6- (2- oxo- 5- {[(5- propyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)sulfanyl]methyl}- 2,3- dihydro- 1H- imidazol- 4- yl)hexanoate
Smiles: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c(n1)n(CCC)c1c2cccc1

STK760442
Synonyms: 2- [5- (2- chlorophenyl)- 1H- pyrazol- 3- yl]phenol
Smiles: Clc1ccccc1c1[nH]nc(c1)c1ccccc1O

STK760453
Synonyms: 1- [5- (4- fluorophenyl)- 5- hydroxy- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: CCC(=O)N1N=C(CC1(O)c1ccc(cc1)F)C(F)(F)F

STK675458
Synonyms: 7,7- dimethyl- 4- phenyl- 2- thioxo- 2,3,4,6,7,8- hexahydroquinazolin- 5(1H)- one
Smiles: S=C1NC2=C(C(N1)c1ccccc1)C(=O)CC(C2)(C)C

STK760461
Synonyms: methyl4- (3- {[N'- (2,5- dichlorophenyl)- N- methylcarbamimidoyl]sulfanyl}- 2,5- dioxopyrrolidin- 1- yl)benzoate
Smiles: CN/C(=N\c1cc(Cl)ccc1Cl)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OC

STK675460
Synonyms: 5- bromo- 1- (1- methoxyethyl)pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(n1cc(Br)c(=O)[nH]c1=O)OC

STK760463
Synonyms: methyl6a- methyl- 5- (3- methylphenyl)- 4,6- dioxo- 1,3a,4,5,6,6a- hexahydropyrrolo[3,4- c]pyrazole- 3- carboxylate
Smiles: COC(=O)C1=NNC2(C1C(=O)N(C2=O)c1cccc(c1)C)C

STK760465
Synonyms: 2- (4- methoxyphenyl)- 5- phenyl- 4- [4- (phenylsulfanyl)phenyl]- 1H- imidazole
Smiles: COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Sc1ccccc1

STK760468
Synonyms: diethyl6- hydroxy- 6- methyl- 2- (4- methylphenyl)- 4- (phenylamino)cyclohex- 3- ene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)CC(C(C1c1ccc(cc1)C)C(=O)OCC)(C)O

STK760470
Synonyms: 5- (3- fluorophenyl)- 3- hydroxy- 4- (phenylcarbonyl)- 1- (pyridin- 3- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1cccc(c1)C1C(=C(C(=O)N1c1cccnc1)O)C(=O)c1ccccc1

STK760474
Synonyms: N- (4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)- 2- [(5- propyl- 5H- [1,2,4]triazino[5,6- b]indol- 3- yl)sulfanyl]acetamide
Smiles: CCCn1c2ccccc2c2c1nc(SCC(=O)NC1=NC(=O)CS1)nn2

STK760479
Synonyms: 8- bromo- 5- methyl- 3- (propan- 2- ylsulfanyl)- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: CC(Sc1nnc2c(n1)n(C)c1c2cc(cc1)Br)C

STK760483
Synonyms: 2- [(1,1- dioxido- 1,2- benzothiazol- 3- yl)(phenyl)amino]- N'- [(E)- (4- fluorophenyl)methylidene]acetohydrazide(non- preferredname)
Smiles: O=C(CN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1)N/N=C/c1ccc(cc1)F

STK760518
Synonyms: (2E)- 3- [(5- chloro- 2- methylphenyl)amino]- 4,4,4- trifluoro- 1- phenylbut- 2- en- 1- one
Smiles: Clc1ccc(c(c1)N/C(=C/C(=O)c1ccccc1)/C(F)(F)F)C

STK760519
Synonyms: 6- bromo- N- ({2- [(4- butoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O

STK760520
Synonyms: ethyl2- {[(2- oxo- 2H- chromen- 3- yl)carbonyl]amino}- 4,5,6,7,8,9,10,11,12,13- decahydrocyclododeca[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCCCCCCCC2)NC(=O)c1cc2ccccc2oc1=O

STK675471
Synonyms: N- {[2- (1,3- benzodioxol- 5- ylcarbonyl)hydrazinyl]carbonothioyl}- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: S=C(NC(=O)c1cc2ccccc2oc1=O)NNC(=O)c1ccc2c(c1)OCO2

STK760527
Synonyms: (4- bromophenyl)[3- butyl- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)Br

STK675481
Synonyms: 2- (1,3- benzodioxol- 5- yl)- 1- (phenylcarbonyl)- 1,2- dihydro- 4H- 3,1- benzoxazin- 4- one
Smiles: O=C(N1C(OC(=O)c2c1cccc2)c1ccc2c(c1)OCO2)c1ccccc1

STK675482
Synonyms: 2- (1- oxo- 4- phenylphthalazin- 2(1H)- yl)ethylacetate
Smiles: CC(=O)OCCn1nc(c2ccccc2)c2c(c1=O)cccc2

STK760534
Synonyms: 3- (4- chlorophenyl)- 2- (4- methoxyphenyl)- 5- methyl- 1,3- thiazolidin- 4- one1,1- dioxide
Smiles: COc1ccc(cc1)C1N(c2ccc(cc2)Cl)C(=O)C(S1(=O)=O)C

STK760535
Synonyms: 3'- [4- (pentyloxy)phenyl]- 4'H- spiro[indole- 3,2'- [1,3]thiazolidine]- 2,4'(1H)- dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)CSC21C(=O)Nc1c2cccc1

STK760540
Synonyms: 2- (2- methoxynaphthalen- 1- yl)- 5- (4- methylphenyl)- 2,3- dihydro- 1,3,4- thiadiazole
Smiles: COc1ccc2c(c1C1NN=C(S1)c1ccc(cc1)C)cccc2

STK760547
Synonyms: 5- ethyl- 4- hydroxy- 4,5- dimethyl- 3- (phenylamino)- 1,3- oxazolidin- 2- one
Smiles: CCC1(C)OC(=O)N(C1(C)O)Nc1ccccc1

STK760549
Synonyms: 4- hydroxy- 4,5,5- trimethyl- 3- (phenylamino)- 1,3- oxazolidin- 2- one
Smiles: O=C1OC(C(N1Nc1ccccc1)(C)O)(C)C

STK675492
Synonyms: 5,5- dimethyl- 4- methylidene- 3- (phenylamino)- 1,3- oxazolidin- 2- one
Smiles: O=C1OC(C(=C)N1Nc1ccccc1)(C)C

STK760550
Synonyms: 3- (2- hydroxyethyl)- 5,6,6- trimethyl- 3,6- dihydro- 2H- 1,3,4- oxadiazin- 2- one
Smiles: OCCN1N=C(C)C(OC1=O)(C)C

STK760551
Synonyms: 4- hydroxy- 4,5,5- trimethyl- 3- [(4- methylphenyl)amino]- 1,3- oxazolidin- 2- one
Smiles: Cc1ccc(cc1)NN1C(=O)OC(C1(C)O)(C)C

STK760552
Synonyms: 5- ethyl- 4- hydroxy- 4,5- dimethyl- 3- [(4- methylphenyl)amino]- 1,3- oxazolidin- 2- one
Smiles: CCC1(C)OC(=O)N(C1(C)O)Nc1ccc(cc1)C

STK760553
Synonyms: 4- hydroxy- 4- methyl- 3- (phenylamino)- 1- oxa- 3- azaspiro[4.5]decan- 2- one
Smiles: O=C1OC2(C(N1Nc1ccccc1)(C)O)CCCCC2

STK760558
Synonyms: 2- hydroxy- 2- methyl- N'- [(3E)- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]propanehydrazide
Smiles: O=C(C(O)(C)C)N/N=C/1\c2ccccc2N(C1=O)C

STK760561
Synonyms: 2- (3- chlorophenyl)- 3- {[(1E)- 1- (4- methoxyphenyl)ethylidene]amino}- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: COc1ccc(cc1)/C(=N/N1C(Nc2c(C1=O)cccc2)c1cccc(c1)Cl)/C

STK760562
Synonyms: 2- (2- chlorophenyl)- 3- {[(1E)- 1- (4- methoxyphenyl)ethylidene]amino}- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: COc1ccc(cc1)/C(=N/N1C(Nc2c(C1=O)cccc2)c1ccccc1Cl)/C

STK675497
Synonyms: 2,1,3- benzothiadiazole- 4- sulfonohydrazide
Smiles: NNS(=O)(=O)c1cccc2c1nsn2

STK760564
Synonyms: (8Z)- 4- methyl- 8- [2- (4- methylphenyl)hydrazinylidene]- 2H- furo[2,3- h]chromene- 2,9(8H)- dione
Smiles: Cc1ccc(cc1)N/N=C/1\Oc2c(C1=O)c1oc(=O)cc(c1cc2)C

STK675499
Synonyms: 4- {5- phenyl- 4- [4- (phenylsulfanyl)phenyl]- 1H- imidazol- 2- yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccc(cc1)Sc1ccccc1