Chemical compounds for High-Throughput screening and
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STK069324
Synonyms: 2- [(1E)- 1- {2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]hydrazinylidene}ethyl]phenol
Smiles: Cc1ccc(cc1)c1csc(n1)N/N=C(/c1ccccc1O)\C

STK069332
Synonyms: 4- methoxy- 3- nitro- N- (pyridin- 2- ylcarbamothioyl)benzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccccn1

STK069336
Synonyms: 1- methyl- 4- {[4- (4- nitrophenoxy)phenyl]sulfonyl}benzene
Smiles: Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]

STK069343
Synonyms: 2- (5- amino- 1,3,4- thiadiazol- 2- yl)- N'- [(E)- {3- [2- (4- methylphenoxy)ethoxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cc1nnc(s1)N)N/N=C/c1cccc(c1)OCCOc1ccc(cc1)C

STK069350
Synonyms: 2- [(E)- (1,3- benzothiazol- 2- ylimino)methyl]- 4- bromophenol
Smiles: Brc1ccc(c(c1)/C=N/c1nc2c(s1)cccc2)O

STK069427
Synonyms: N'- [(E)- {3- [3- (3,4- dimethylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1cccc(c1)OCCCOc1ccc(c(c1)C)C

STK069429
Synonyms: N,N,N',N',N'',N''- hexaethyl- 2,4,6- trinitrobenzene- 1,3,5- triamine
Smiles: CCN(c1c([N+](=O)[O-])c(N(CC)CC)c(c(c1[N+](=O)[O-])N(CC)CC)[N+](=O)[O-])CC

STK069432
Synonyms: 2,2'- {benzene- 1,2- diylbis[nitrilo(E)methylylidene]}diphenol
Smiles: Oc1ccccc1/C=N/c1ccccc1/N=C/c1ccccc1O

STK069446
Synonyms: methyl4- ({4- [3- (dimethylsulfamoyl)- 4- methylphenyl]phthalazin- 1- yl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)N(C)C)C

STK069452
Synonyms: 2- amino- 4- (4- butoxyphenyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: CCCCOc1ccc(cc1)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N

STK069476
Synonyms: 3- phenyl- 1,3- thiazolidine- 2- carboxamide
Smiles: NC(=O)C1SCCN1c1ccccc1

STK069486
Synonyms: 3- bromo- N- (5- {[4- (dimethylamino)phenyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1nnc(s1)Sc1ccc(cc1)N(C)C

STK069490
Synonyms: 2- (3,4- dichlorophenyl)- 3- (phenylamino)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1Cl)c1nc2ccccc2c(=O)n1Nc1ccccc1

STK069491
Synonyms: 4- (furan- 2- ylcarbonyl)- N- [(4- nitrophenyl)carbonyl]piperazine- 1- carboxamide
Smiles: O=C(N1CCN(CC1)C(=O)c1ccco1)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK069498
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 7- methylnaphthalene- 2- sulfonamide
Smiles: Cc1ccc2c(c1)cc(cc2)S(=O)(=O)NCc1ccc2c(c1)OCO2

STK069501
Synonyms: N- (2- cyanophenyl)- 4- hydroxy- 1- (3- methylbutyl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: N#Cc1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)CCC(C)C

STK069503
Synonyms: (2Z)- 2,3- dimethyl- 4- oxo- 4- (tricyclo[3.3.1.1~3,7~]dec- 1- ylamino)but- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NC12CC3CC(C2)CC(C1)C3

STK069523
Synonyms: 5- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)ethyl]- 2- methylpyridine
Smiles: Cc1ccc(cn1)CCn1nc(cc1C)C

STK069526
Synonyms: 8- (heptylsulfanyl)- 3- methyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]c(=O)n2C

STK069532
Synonyms: 2- [2- (diethylamino)ethoxy]ethyl2- phenylbutanoate2- hydroxypropane- 1,2,3- tricarboxylate(salt)
Smiles: OC(=O)CC(C(=O)O)(CC(=O)O)O.CCC(c1ccccc1)C(=O)OCCOCCN(CC)CC

STK069551
Synonyms: (6Z)- 2- cyclohexyl- 6- {3,5- dichloro- 4- [2- (2- methylphenoxy)ethoxy]benzylidene}- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cc(Cl)c(c(c1)Cl)OCCOc1ccccc1C)C1CCCCC1

STK069604
Synonyms: 1- (2- fluorophenyl)- 3- [5- (2- phenylethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)CCc1ccccc1

STK069617
Synonyms: (4Z)- 4- [2- (4- fluorophenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Fc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK069638
Synonyms: 5- ({[(3- butoxyphenyl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: CCCCOc1cccc(c1)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK069647
Synonyms: N'- (4- cyanophenyl)- N,N- diethylbutanediamide
Smiles: CCN(C(=O)CCC(=O)Nc1ccc(cc1)C#N)CC

STK069660
Synonyms: 6,6- dimethyl- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: O=c1[nH]c(=O)c2c([nH]1)sc1c2CC(OC1)(C)C

STK069667
Synonyms: 2- (naphthalen- 2- yloxy)- 1- [2,2,4- trimethyl- 4- (4- methylphenyl)- 3,4- dihydroquinolin- 1(2H)- yl]ethanone
Smiles: Cc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)COc1ccc2c(c1)cccc2

STK069672
Synonyms: 6,6- dimethyl- 2,3,4a,5,6,7,8,9,10,10a- decahydrobenzo[g]phthalazine- 1,4- dione
Smiles: O=C1NNC(=O)C2C1CC1=C(C2)CCCC1(C)C

STK069674
Synonyms: (2Z)- 1- [4- (4- fluorophenyl)piperazin- 1- yl]- 2,3- diphenylprop- 2- en- 1- one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)/C(=C\c1ccccc1)/c1ccccc1

STK069693
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [3- (4- methylphenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK069742
Synonyms: (2Z)- N- (4- chlorophenyl)- 2- cyano- 3- (1- cyclohexyl- 2,5- dimethyl- 1H- pyrrol- 3- yl)prop- 2- enamide
Smiles: N#C/C(=C/c1cc(n(c1C)C1CCCCC1)C)/C(=O)Nc1ccc(cc1)Cl

STK069748
Synonyms: N'- {(E)- [5- (3- chlorophenyl)furan- 2- yl]methylidene}- 2- methoxy- 4- methylbenzohydrazide
Smiles: COc1cc(C)ccc1C(=O)N/N=C/c1ccc(o1)c1cccc(c1)Cl

STK069752
Synonyms: N- (5- chloro- 2- methoxyphenyl)- 1,3- benzodioxole- 5- carboxamide
Smiles: COc1ccc(cc1NC(=O)c1ccc2c(c1)OCO2)Cl

STK069753
Synonyms: N,N- dimethyl- 2- (3- nitrophenyl)ethanethioamide
Smiles: S=C(N(C)C)Cc1cccc(c1)[N+](=O)[O-]

STK069774
Synonyms: 4- chloro- N- (4- methoxyphenyl)- 6- (2,2,2- trifluoroethoxy)- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)Nc1nc(Cl)nc(n1)OCC(F)(F)F

STK069777
Synonyms: (3- amino- 6- hydroxy- 4- methyl- 7,7a- dihydrothieno[2,3- b]pyridin- 2- yl)(phenyl)methanone
Smiles: O=C(C1=C(N)C2=C(C)C=C(NC2S1)O)c1ccccc1

STK069848
Synonyms: 2- (1,3- benzothiazol- 2- ylcarbamoyl)benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)Nc1nc2c(s1)cccc2

STK069862
Synonyms: N- {4- [(5- chloro- 4- methoxy- 6- methylpyrimidin- 2- yl)sulfamoyl]phenyl}acetamide
Smiles: COc1nc(nc(c1Cl)C)NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK069872
Synonyms: potassium4- [(1E)- 3,3- diethyltriaz- 1- en- 1- yl]benzoate
Smiles: CCN(/N=N/c1ccc(cc1)C(=O)[O-])CC.[K+]

STK069876
Synonyms: (2Z)- N- [4- (3,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 6- methoxy- 2- [(4- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(/c(=N/c1ccc(cc1)C)/o2)C(=O)Nc1scc(n1)c1ccc(c(c1)C)C

STK069878
Synonyms: 4- [(pyridin- 2- ylmethyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)NCc1ccccn1

STK069879
Synonyms: 2- {[5- (acetylamino)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(s1)NC(=O)C

STK069887
Synonyms: 6- amino- 3- tert- butyl- 4- (4- chloro- 1,3- benzodioxol- 5- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1Cl)OCO3)c([nH]n2)C(C)(C)C

STK069924
Synonyms: ethyl4- amino- 2- [(4,7- dimethylquinazolin- 2- yl)amino]- 6- phenylpyrimidine- 5- carboxylate
Smiles: CCOC(=O)c1c(N)nc(nc1c1ccccc1)Nc1nc(C)c2c(n1)cc(cc2)C

STK069972
Synonyms: N- (bicyclo[2.2.1]hept- 2- yl)- 4- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)benzamide
Smiles: O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)NC1CC2CC1CC2

STK069979
Synonyms: 1- [(N- acetylglycyl)(ethyl)amino]- N- (diphenylmethyl)cyclohexanecarboxamide
Smiles: CCN(C1(CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CNC(=O)C

STK070009
Synonyms: pyridin- 2- yl3- chlorobenzoate
Smiles: Clc1cccc(c1)C(=O)Oc1ccccn1

STK070010
Synonyms: N- (4- fluorobenzyl)pyridine- 2- carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1ccccn1

STK070022
Synonyms: 5- cyano- 8- methyl- 4- oxo- 2- thioxo- 3- azaspiro[5.5]undecane- 1- carboxamide
Smiles: N#CC1C(=O)NC(=S)C(C21CCCC(C2)C)C(=O)N

STK070031
Synonyms: methylN- (4- {[(5- methylfuran- 2- yl)methyl]amino}- 4- oxobutanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCc1ccc(o1)C)CC(C)C

STK070056
Synonyms: 1- {(E)- amino[(4,6- dimethylquinazolin- 2- yl)amino]methylidene}- 3- cyclohexylurea
Smiles: Cc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)NC1CCCCC1)/N

STK070059
Synonyms: ethyl(2Z)- 2- {4- [(4- chlorobenzyl)oxy]benzylidene}- 7- methyl- 3- oxo- 5- [4- (propan- 2- yl)phenyl]- 2,3,8,8a- tetrahydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)NC2N(C1c1ccc(cc1)C(C)C)C(=O)/C(=C/c1ccc(cc1)OCc1ccc(cc1)Cl)/S2

STK070080
Synonyms: 3- hydroxy- 2- (2- phenylethyl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: O=C1C2=C(C(N1CCc1ccccc1)O)CCCC2

STK070096
Synonyms: {[acetyl(ethyl)amino]methyl}(morpholin- 4- ylmethyl)phosphinicacid
Smiles: CCN(C(=O)C)CP(=O)(CN1CCOCC1)O

STK070115
Synonyms: 2- cyano- 1- (2- methoxyphenyl)ethyl4- nitrobenzoate
Smiles: N#CCC(c1ccccc1OC)OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK070120
Synonyms: N- benzyl- N- (2- phenylethyl)cyclohexanamine
Smiles: c1ccc(cc1)CCN(C1CCCCC1)Cc1ccccc1

STK070129
Synonyms: (4E)- 4- [2- (2- hydroxy- 4- methylphenyl)hydrazinylidene]- 5- methyl- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(c(c1)O)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1ccccc1)C

STK070136
Synonyms: 3- (4- chlorobenzyl)- 4- [(4- methoxyphenyl)amino]- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)NC(=O)C(Cc1ccc(cc1)Cl)CC(=O)O

STK070141
Synonyms: 1- [(N- acetylglycyl)(benzyl)amino]- N- (4- bromophenyl)cyclohexanecarboxamide
Smiles: CC(=O)NCC(=O)N(C1(CCCCC1)C(=O)Nc1ccc(cc1)Br)Cc1ccccc1

STK070143
Synonyms: 3- [(5Z)- 5- (5- bromo- 2- hydroxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cc(Br)ccc2O)/C1=O

STK070177
Synonyms: N- (2,5- dichlorophenyl)- 1,3- benzodioxole- 5- carboxamide
Smiles: Clc1ccc(c(c1)NC(=O)c1ccc2c(c1)OCO2)Cl

STK070178
Synonyms: 5- [(1,1- dioxido- 1- benzothiophen- 3- yl)sulfanyl]- 1- phenyl- 1H- tetrazole
Smiles: O=S1(=O)C=C(c2c1cccc2)Sc1nnnn1c1ccccc1

STK070203
Synonyms: 1- (2- iodophenyl)- 1,4- dihydrobenzo[f]quinolin- 3(2H)- one
Smiles: O=C1Nc2ccc3c(c2C(C1)c1ccccc1I)cccc3

STK070214
Synonyms: 1- {N- [2- chloro- 5- (trifluoromethyl)phenyl]- N- (methylsulfonyl)glycyl}piperidine- 4- carboxamide
Smiles: O=C(N1CCC(CC1)C(=O)N)CN(S(=O)(=O)C)c1cc(ccc1Cl)C(F)(F)F

STK070225
Synonyms: N- (5- {1- [(4- chlorophenyl)sulfonyl]- 1H- benzimidazol- 2- yl}pentyl)benzamide
Smiles: Clc1ccc(cc1)S(=O)(=O)n1c(CCCCCNC(=O)c2ccccc2)nc2c1cccc2

STK070242
Synonyms: N- benzyl- N- [2- (dimethylamino)ethyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CN(CCN(C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccccc1)C

STK070243
Synonyms: [(1R,9aR)- 9a- methyloctahydro- 2H- quinolizin- 1- yl]methanol
Smiles: OC[C@@H]1CCCN2[C@]1(C)CCCC2

STK070250
Synonyms: ethyl{2- imino- 3- [2- (4- methylphenoxy)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}acetate
Smiles: CCOC(=O)Cn1c(=N)n(c2c1cccc2)CCOc1ccc(cc1)C

STK070252
Synonyms: (10E)- 7- (4- fluorophenyl)- 10- (4- hydroxy- 3,5- dinitrobenzylidene)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)/s3)c1c(CC2)cccc1

STK070258
Synonyms: 2- (4- fluorophenyl)- N- (pentan- 2- yl)acetamide
Smiles: CCCC(NC(=O)Cc1ccc(cc1)F)C

STK070262
Synonyms: 3- {[2'- (acetylamino)- 4'- methyl- 4,5'- bi- 1,3- thiazol- 2- yl]amino}benzoicacid
Smiles: CC(=O)Nc1sc(c(n1)C)c1csc(n1)Nc1cccc(c1)C(=O)O

STK070268
Synonyms: N- (4- methylphenyl)- 4- (pyridin- 2- yl)- 1,3- thiazol- 2- amine
Smiles: Cc1ccc(cc1)Nc1scc(n1)c1ccccn1

STK070275
Synonyms: 6- amino- 1- benzyl- 4- (4- chlorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Cl)c(C)nn2Cc1ccccc1

STK070278
Synonyms: 4- ({3- [(4- chlorophenyl)carbamoyl]- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}amino)- 4- oxobutanoicacid
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)CCC(=O)O

STK070326
Synonyms: 4- {(2Z)- 2- [5- oxo- 3- phenyl- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzenesulfonicacid
Smiles: O=C1N(N=C(/C/1=N/Nc1ccc(cc1)S(=O)(=O)O)c1ccccc1)c1scc(n1)c1ccccc1

STK070331
Synonyms: N,4- dimethyl- 3- nitrobenzamide
Smiles: CNC(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK070350
Synonyms: 2- ({3- [(4,6- dichloro- 1,3,5- triazin- 2- yl)amino]- 4- methoxyphenyl}sulfonyl)ethylsulfate
Smiles: COc1ccc(cc1Nc1nc(Cl)nc(n1)Cl)S(=O)(=O)CCOS(=O)(=O)[O-]

STK070354
Synonyms: 1- (2- hydroxybenzyl)- N- (6- hydroxy- 6- methylheptan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)Cc1ccccc1O)CCCC(O)(C)C

STK070388
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 3- nitroaniline
Smiles: [O-][N+](=O)c1cccc(c1)/N=C/c1c[nH]c2c1cccc2

STK070406
Synonyms: 3- [(phenylcarbonyl)amino]- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1ccccc1)Nc1c(oc2c1cccc2)C(=O)N

STK070438
Synonyms: N- (1- phenylpropan- 2- yl)- 1- benzofuran- 2- carboxamide
Smiles: CC(NC(=O)c1cc2c(o1)cccc2)Cc1ccccc1

STK070451
Synonyms: 2- [4- (2- hydroxyethyl)piperazin- 1- yl]- 1- (5- methoxy- 2- methyl- 1- benzofuran- 3- yl)ethanone
Smiles: OCCN1CCN(CC1)CC(=O)c1c(C)oc2c1cc(OC)cc2

STK070455
Synonyms: 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCCc1ccccc1

STK070488
Synonyms: 2- chloro- 5- ({[(2- chloro- 5- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cc(I)ccc1Cl)Nc1ccc(c(c1)C(=O)O)Cl

STK070492
Synonyms: 2- [(4- chlorophenyl)sulfanyl]- N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)acetamide
Smiles: N#Cc1c(NC(=O)CSc2ccc(cc2)Cl)sc2c1CCC2

STK070525
Synonyms: 4- methylbenzyl(pyridin- 3- ylmethyl)carbamate
Smiles: O=C(NCc1cccnc1)OCc1ccc(cc1)C

STK070533
Synonyms: methylN- (4- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 4- oxobutanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCCc1ccc(c(c1)OC)OC)CC(C)C

STK070547
Synonyms: 2- [(E)- 2- (4- bromophenyl)ethenyl]- 3- methylquinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)/C=C/c1nc2ccccc2c(=O)n1C

STK070555
Synonyms: 1- (3,4- dimethylphenyl)- 3- [5- (1- phenylpropyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: CCC(c1ccccc1)c1nnc(s1)NC(=O)Nc1ccc(c(c1)C)C

STK070585
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2,4- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1C)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK070592
Synonyms:
Smiles: O=C(COc1c(C)cc(cc1C)Br)N/N=C\c1cc(O)ccc1[N+](=O)[O-].O=C(COc1c(C)cc(cc1C)Br)N/N=C\c1cc(O)ccc1[N+](=O)[O-]

STK070595
Synonyms: N- (4- methoxyphenyl)- 9- methyl- 9H- fluorene- 9- carboxamide
Smiles: COc1ccc(cc1)NC(=O)C1(C)c2ccccc2c2c1cccc2

STK070604
Synonyms: 4- [(E)- {[4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]imino}methyl]benzene- 1,3- diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc(cc1)c1nc2c(s1)cc(cc2)C

STK070643
Synonyms: 2- [(2Z)- 2- {1- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 3- methyl- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]anthracene- 9,10- dione
Smiles: COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/C1=O)C

STK070645
Synonyms: diethyl5- {[(furan- 2- ylcarbonyl)carbamothioyl]amino}- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc(c1C)C(=O)OCC

STK070653
Synonyms: 4- benzyl- 1- [4- (4- methoxyphenyl)butan- 2- yl]piperidine
Smiles: COc1ccc(cc1)CCC(N1CCC(CC1)Cc1ccccc1)C

STK070655
Synonyms: 4- (5- {(Z)- [7- (2- methoxyphenyl)- 9- oxo- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 10(9H)- ylidene]methyl}furan- 2- yl)- 3- methylbenzoicacid
Smiles: COc1ccccc1C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(o1)c1ccc(cc1C)C(=O)O)/s3)c1c(CC2)cccc1

STK070661
Synonyms: 4,4'- [(1,3,5,7- tetraoxo- 5,7- dihydropyrrolo[3,4- f]isoindole- 2,6(1H,3H)- diyl)bis(benzene- 3,1- diyloxy)]dibenzene- 1,2- dicarboxylicacid
Smiles: OC(=O)c1cc(ccc1C(=O)O)Oc1cccc(c1)n1c(=O)c2c(c1=O)cc1c(c2)c(=O)n(c1=O)c1cccc(c1)Oc1ccc(c(c1)C(=O)O)C(=O)O

STK070669
Synonyms: 3- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)phenol
Smiles: Oc1cccc(c1)/N=C/c1ccc(cc1)OCc1ccccc1

STK070676
Synonyms: 1,6- dimethyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]pyridin- 4- amine
Smiles: Cc1cc(N)c2c(n1)N(C)CC2

STK070680
Synonyms: (6E)- 3- hydroxy- 1,7- dimethyl- 4- (propan- 2- yl)- 11- oxabicyclo[8.1.0]undec- 6- en- 5- ylbenzoate
Smiles: CC1=CC(OC(=O)c2ccccc2)C(C(C)C)C(CC2(C(CC1)O2)C)O

STK070689
Synonyms: 2- [5- (2- bromo- 5- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: COc1ccc(c(c1)c1onc(n1)c1ccccn1)Br

STK070700
Synonyms: 4,6- dimethyl- 2- [(2- phenylethyl)sulfanyl]pyridine- 3- carbonitrile
Smiles: N#Cc1c(C)cc(nc1SCCc1ccccc1)C

STK070736
Synonyms: (2Z,5Z)- 5- (5- chloro- 2- methoxybenzylidene)- 3- (2- phenylethyl)- 2- (phenylimino)- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)CCc1ccccc1)Cl

STK070744
Synonyms: N'- [(2E)- 3- hydroxybutan- 2- ylidene]pyridine- 4- carbohydrazide
Smiles: CC(/C(=N/NC(=O)c1ccncc1)/C)O

STK070817
Synonyms: 2,4- dichloro- 6- [(E)- {[4- chloro- 3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]imino}methyl]phenol
Smiles: Clc1cc(/C=N/c2ccc(c(c2)c2oc3c(n2)nccc3)Cl)c(c(c1)Cl)O

STK070829
Synonyms: 3- (4- bromophenyl)- 5- (2,5- dichlorophenyl)- 3a,6a- dihydrospiro[furo[3,4- c]pyrrole- 1,2'- indene]- 1',3',4,6(3H,5H)- tetrone
Smiles: Brc1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1cc(Cl)ccc1Cl)C(=O)c1c(C2=O)cccc1

STK070832
Synonyms: 3- ({[(4- tert- butylphenoxy)acetyl]carbamothioyl}amino)- 2- methylbenzoicacid
Smiles: O=C(NC(=S)Nc1cccc(c1C)C(=O)O)COc1ccc(cc1)C(C)(C)C

STK070837
Synonyms: N,N'- [sulfanediylbis(2- phenyl- 1H- inden- 3- yl- 1- ylidene)]bis(4- chloroaniline)
Smiles: Clc1ccc(cc1)/N=C/1\c2ccccc2C(=C1c1ccccc1)SC1=C(c2ccccc2)/C(=N\c2ccc(cc2)Cl)/c2c1cccc2

STK070841
Synonyms: 2- imino- 6- nitro- N- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: O=C(c1cc2cc(ccc2oc1=N)[N+](=O)[O-])Nc1scc(n1)c1ccccc1

STK070849
Synonyms: N'- [(3Z)- 1- benzyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/1\C(=O)N(c2c1cccc2)Cc1ccccc1

STK070878
Synonyms: N- [(2Z)- 3- chlorobut- 2- en- 1- yl]cyclohexanaminehydrochloride
Smiles: C/C(=C/CNC1CCCCC1)/Cl.Cl

STK070891
Synonyms: 5- ({1- [2- (4- chloro- 3- methylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccc(c(c2)C)Cl)C(=O)N1C

STK070914
Synonyms: 1- {4- [(E)- (4- propoxyphenyl)diazenyl]phenyl}ethanone
Smiles: CCCOc1ccc(cc1)/N=N/c1ccc(cc1)C(=O)C

STK070926
Synonyms: (2E,2'E)- 2,2'- (1E,2E)- ethane- 1,2- diylidenedihydrazinecarboxamide
Smiles: NC(=O)N/N=C/C=N/NC(=O)N

STK070948
Synonyms: ethyl2- {(5E)- 5- [2- (benzyloxy)benzylidene]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}propanoate
Smiles: CCOC(=O)C(N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)/C1=O)C

STK070978
Synonyms: 2- (2- chlorophenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Clc1ccccc1C1N=C(O)c2c(N1)sc1c2CCCC1

STK071020
Synonyms: 11- (2- hydrazinylethyl)- 6,11- dihydro- 5H- benzo[a]carbazole
Smiles: NNCCn1c2ccccc2c2c1c1ccccc1CC2

STK071027
Synonyms: N- [3- cyano- 4- (4- fluorophenyl)- 4H- benzo[h]chromen- 2- yl]benzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2)Oc2c(C1c1ccc(cc1)F)ccc1c2cccc1

STK071039
Synonyms: 1- (phenylsulfonyl)- 3- propyl- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CCCC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccccc1

STK071050
Synonyms: 2- bromo- 4- (2- chlorophenyl)- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(Br)nc(cc1c1ccccc1Cl)c1cccs1

STK071053
Synonyms: 1,3- dimethyl- 5- nitro- 6- [(E)- 2- (pyridin- 3- yl)ethenyl]pyrimidine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c(/C=C/c2cccnc2)c(c(=O)n1C)[N+](=O)[O-]

STK071060
Synonyms: dipotassium4- [(2- carboxylatophenyl)amino]- 3,3- dimethyl- 2- (propan- 2- yl)- 1,2,3,4- tetrahydroquinoline- 8- carboxylate
Smiles: [K]OC(=O)c1ccccc1NC1c2cccc(c2NC(C1(C)C)C(C)C)C(=O)O[K]

STK071063
Synonyms: N- ethyl- N- (2- methoxybenzyl)ethanamine
Smiles: CCN(Cc1ccccc1OC)CC

STK071081
Synonyms: 3- (2- hydroxyethyl)- 4,6- dimethyl- 2- oxo- 2,3- dihydropyrimidin- 1- ium
Smiles: Cc1cc(C)[nH+]c(=O)n1CCO

STK071093
Synonyms: 5- (3,4- dimethoxyphenyl)- 3- (4- methylphenyl)thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1cc(ccc1OC)c1csc2c1c(=O)n(cn2)c1ccc(cc1)C

STK071104
Synonyms: N- {4- [(2,4- dimethylphenyl)sulfamoyl]phenyl}- 2- (naphthalen- 1- yloxy)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C)C)COc1cccc2c1cccc2

STK071122
Synonyms: (6Z)- 6- (3- ethoxy- 4- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1ccccc1CC=C)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK071140
Synonyms: 1- {4- [(3- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK071147
Synonyms: ethyl2- {[({[(E)- (2- hydroxyphenyl)methylidene]amino}oxy)acetyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CO/N=C/c2ccccc2O)sc2c1CCCC2

STK071158
Synonyms: diethyl2,5- bis(3- ethoxy- 3- oxoprop- 1- yn- 1- yl)benzene- 1,4- dicarboxylate
Smiles: CCOC(=O)c1cc(C#CC(=O)OCC)c(cc1C#CC(=O)OCC)C(=O)OCC

STK071167
Synonyms: 5- (pyridin- 3- ylmethylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1

STK071190
Synonyms: 2,2- dichloro- N- (6- nitro- 1,3- benzothiazol- 2- yl)acetamide
Smiles: O=C(C(Cl)Cl)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK071191
Synonyms: 3- (morpholin- 4- ylamino)- 2- benzofuran- 1(3H)- one
Smiles: O=C1OC(c2c1cccc2)NN1CCOCC1

STK071201
Synonyms: 2,2'- (oxydibenzene- 4,1- diyl)bis[5- (2- methylphenyl)- 1,3,4- oxadiazole]
Smiles: Cc1ccccc1c1nnc(o1)c1ccc(cc1)Oc1ccc(cc1)c1nnc(o1)c1ccccc1C

STK071204
Synonyms: 2- methoxy- 2- methyl- 1- {[2- propanoyl- 5- (propan- 2- yl)phenyl]amino}- 6- (propan- 2- yl)- 1,2- dihydro- 3H- indol- 3- one
Smiles: CCC(=O)c1ccc(cc1NN1c2cc(ccc2C(=O)C1(C)OC)C(C)C)C(C)C

STK071207
Synonyms: pyridin- 2- ylfuran- 2- carboxylate
Smiles: O=C(c1ccco1)Oc1ccccn1

STK071214
Synonyms: N'- [(E)- (2- bromo- 5- hydroxyphenyl)methylidene]- 2,3- dihydro- 1,4- benzodioxine- 2- carbohydrazide
Smiles: Oc1ccc(c(c1)/C=N/NC(=O)C1COc2c(O1)cccc2)Br

STK071246
Synonyms: N- [2,5- dioxo- 1- (4- propoxyphenyl)pyrrolidin- 3- yl]- N- (furan- 2- ylmethyl)propanamide
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CC)Cc1ccco1

STK071250
Synonyms: 2- chloro- 4- ({[(3,4- dimethylphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(c(c1)C)C)Nc1ccc(c(c1)Cl)C(=O)O

STK071254
Synonyms: 2- [4,6- bis(ethylamino)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: CCNc1nc(nc(n1)NCC)CC(=O)c1ccccc1

STK071260
Synonyms: 3- [(4- tert- butylcyclohexylidene)amino]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: O=C1CSC(=S)N1/N=C/1\CCC(CC1)C(C)(C)C

STK071268
Synonyms: N'- {(E)- phenyl[4- (trifluoromethyl)phenyl]methylidene}pyridine- 3- carbohydrazide
Smiles: O=C(c1cccnc1)N/N=C(/c1ccc(cc1)C(F)(F)F)\c1ccccc1

STK071272
Synonyms: 2- (4- methoxyphenyl)- 4- phenyl- 1,4- dihydropyrimido[1,2- a]benzimidazole
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nc1c2cccc1)c1ccccc1

STK071277
Synonyms: 2- amino- 4- {3- [(4- chlorobenzyl)oxy]- 4- methoxyphenyl}- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)OCc1ccc(cc1)Cl)OC)c(=O)oc(c2)C

STK071281
Synonyms: 3- [(3- hydroxypropyl)amino]- 1- (4- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: OCCCNC1CC(=O)N(C1=O)c1ccc(cc1)OC

STK071284
Synonyms: 2- (4- fluorophenyl)- 1- (4- methylpiperazin- 1- yl)ethanone
Smiles: CN1CCN(CC1)C(=O)Cc1ccc(cc1)F

STK071291
Synonyms: 3- (3,4- dichlorophenyl)- 1- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)- 1- (4- methoxybenzyl)urea
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccccc1)C(=O)Nc1ccc(c(c1)Cl)Cl

STK071296
Synonyms: 2- (4- chlorobenzyl)- 4,8- diethoxy- 1,3- dimethyl- 2,6- dihydrocyclohepta[c]pyrrol- 6- ylium
Smiles: CCOC1=C[CH+]C=C(c2c1c(C)n(c2C)Cc1ccc(cc1)Cl)OCC

STK071310
Synonyms: N- {[4- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]carbamothioyl}furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccco1)Nc1ccc(cc1)c1oc2c(n1)cc(c(c2)C)C

STK071319
Synonyms: 3- (4- chlorophenyl)- N'- [(E)- (4- ethylphenyl)methylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: CCc1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)Cl

STK071320
Synonyms: bis(4- ethoxyphenyl)iodonium
Smiles: CCOc1ccc(cc1)[I+]c1ccc(cc1)OCC

STK071394
Synonyms: N- (2,5- dimethoxy- 4- {[(2E)- 3- (3,4,5- trimethoxyphenyl)prop- 2- enoyl]amino}phenyl)benzamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)OC

STK071407
Synonyms: 8,8- dimethyl- 5- phenyl- 3,6,8,9- tetrahydropyrano[4,3- d]pyrazolo[3,4- b]pyridin- 1- ol
Smiles: Oc1n[nH]c2c1c1CC(C)(C)OCc1c(n2)c1ccccc1

STK071416
Synonyms: 7- tert- butyl- 2- [4- (dimethylamino)phenyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN(c1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)C(C)(C)C)C

STK071433
Synonyms: (4E)- 4- ({1- [2- (4- chloro- 3- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)c1ccccc1

STK071452
Synonyms: 5- ({1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccc(cc2C)Cl)C(=O)N1

STK071454
Synonyms: N- [4- (benzyloxy)phenyl]- 4- methoxybenzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OCc1ccccc1

STK071459
Synonyms: 2,3- dihydro- 1H- indol- 1- yl(4,5- dimethoxy- 2- nitrophenyl)methanone
Smiles: COc1cc(c(cc1OC)[N+](=O)[O-])C(=O)N1CCc2c1cccc2

STK071477
Synonyms: N,N- diphenyl- 4- (1,1,2,2- tetrafluoroethoxy)- 6- (2,2,3,3- tetrafluoropropoxy)- 1,3,5- triazin- 2- amine
Smiles: FC(C(Oc1nc(OCC(C(F)F)(F)F)nc(n1)N(c1ccccc1)c1ccccc1)(F)F)F

STK071481
Synonyms: N- tert- butyl- N'- (4- nitrophenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(=O)NC(C)(C)C

STK071492
Synonyms: 4- phenyl- N'- [(4- propylphenyl)acetyl]cyclohexanecarbohydrazide
Smiles: CCCc1ccc(cc1)CC(=O)NNC(=O)C1CCC(CC1)c1ccccc1

STK071502
Synonyms: methyl6- (3- methoxy- 4- {2- oxo- 2- [(2E)- 2- (pyridin- 2- ylmethylidene)hydrazinyl]ethoxy}phenyl)- 4- methyl- 2- oxo- 1,2- dihydropyrimidine- 5- carboxylate
Smiles: COC(=O)c1c(C)nc(=O)[nH]c1c1ccc(c(c1)OC)OCC(=O)N/N=C/c1ccccn1

STK071592
Synonyms: 3- ethyl- 1- [(4- methylphenyl)sulfonyl]- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CCC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C

STK071614
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(cc1)SCCOc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

STK071647
Synonyms: N'- [(1E)- 1- (biphenyl- 4- yl)ethylidene]- 2- {[1- (4- methylbenzyl)- 1H- benzimidazol- 2- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2c(n1Cc1ccc(cc1)C)cccc2)N/N=C(/c1ccc(cc1)c1ccccc1)\C

STK071662
Synonyms: N- [2- (diethylamino)ethyl]- 3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCN(CCNC(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)CC

STK071697
Synonyms: 2- (3,4- dimethoxyphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: COc1cc(ccc1OC)C1N=C(O)c2c(N1)sc1c2CCCC1

STK071702
Synonyms: (2E)- N- benzyl- 3- (4- {2- [4- (butan- 2- yl)phenoxy]ethoxy}phenyl)- 2- cyanoprop- 2- enamide
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1)/C=C(/C(=O)NCc1ccccc1)\C#N)C

STK071733
Synonyms: (6Z)- 6- {3- bromo- 4- [(3,4- dichlorobenzyl)oxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccc(c(c1)Cl)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK071742
Synonyms: S- {4- [cyano(methyl)amino]- 6- (dimethylamino)- 1,3,5- triazin- 2- yl}phenylcarbamothioate
Smiles: N#CN(c1nc(SC(=O)Nc2ccccc2)nc(n1)N(C)C)C

STK071745
Synonyms: N- {4- [(4,6- dimethoxypyrimidin- 2- yl)sulfamoyl]phenyl}- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: COc1cc(OC)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)NCc1cccs1

STK071767
Synonyms: N~3~- ethyl- N- (2- methoxy- 5- nitrophenyl)- N~3~- (2- methylprop- 2- en- 1- yl)- beta- alaninamide
Smiles: CCN(CC(=C)C)CCC(=O)Nc1cc(ccc1OC)[N+](=O)[O-]

STK071770
Synonyms: (4Z)- 4- (5- chloro- 2- hydroxy- 3- nitrobenzylidene)- 1- (3- chlorophenyl)pyrazolidine- 3,5- dione
Smiles: Clc1cc(/C=C\2/C(=O)NN(C2=O)c2cccc(c2)Cl)c(c(c1)[N+](=O)[O-])O

STK071779
Synonyms: N- (4- bromophenyl)- 2- imino- 8- methoxy- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1oc(=N)c(c2)C(=O)Nc1ccc(cc1)Br

STK071794
Synonyms: quinolin- 8- yl2,3- dihydro- 1,4- benzodioxine- 2- carboxylate
Smiles: O=C(C1COc2c(O1)cccc2)Oc1cccc2c1nccc2

STK071829
Synonyms: 5- benzyl- 5- {[(1S,5R)- 8- oxo- 1,5,6,8- tetrahydro- 2H- 1,5- methanopyrido[1,2- a][1,5]diazocin- 3(4H)- yl]methyl}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(C(=O)N1)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1

STK071832
Synonyms: 1- (morpholin- 4- yl)- 2- [2- ({[1- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)ethyl]amino}methyl)phenoxy]ethanone
Smiles: O=C(N1CCOCC1)COc1ccccc1CNC(C12CC3CC(C2)CC(C1)C3)C

STK071840
Synonyms: N- (4,6- dimethylpyrimidin- 2- yl)- 5- (2- nitrophenyl)furan- 2- carboxamide
Smiles: Cc1cc(C)nc(n1)NC(=O)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK071900
Synonyms: (5Z)- 5- (4- methylbenzylidene)- 3- phenyl- 1,3- thiazolidine- 2,4- dione
Smiles: Cc1ccc(cc1)/C=C/1\SC(=O)N(C1=O)c1ccccc1

STK071914
Synonyms: (4Z)- 4- (5- chloro- 2- hydroxy- 3- methoxybenzylidene)- 1- (3- chlorophenyl)pyrazolidine- 3,5- dione
Smiles: COc1cc(Cl)cc(c1O)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Cl

STK071923
Synonyms: 3- (3,5- di- tert- butyl- 4- hydroxyphenyl)- N- (2,3- dihydro- 1H- cyclopenta[b]quinolin- 9- yl)propanamide
Smiles: O=C(Nc1c2CCCc2nc2c1cccc2)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK071936
Synonyms: 3- (2- methylprop- 2- en- 1- yl)- 2- [(4- nitrobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK071976
Synonyms: bis(2- chlorophenyl)bromonium
Smiles: Clc1ccccc1[Br+]c1ccccc1Cl

STK071985
Synonyms: (2Z)- 3- (5- bromo- 2- hydroxyphenyl)- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Br)ccc1O)/c1ccc(cc1)[N+](=O)[O-]

STK071994
Synonyms: N- [(E)- (1- {2- [2- (butan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: CCC(c1ccccc1OCCn1cc(c2c1cccc2)/C=N/n1cnnc1)C

STK072041
Synonyms: 2,3- bis(benzylsulfanyl)- 1- (4- bromophenyl)- 3- phenylpropan- 1- one
Smiles: Brc1ccc(cc1)C(=O)C(C(c1ccccc1)SCc1ccccc1)SCc1ccccc1

STK072086
Synonyms: 4- methoxy- N- [(4- methoxyphenyl)carbamothioyl]- 3- nitrobenzamide
Smiles: COc1ccc(cc1)NC(=S)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STK072090
Synonyms: 3- chloro- 6- [(2E)- 2- (2- chloro- 6- fluorobenzylidene)hydrazinyl]pyridazine
Smiles: Clc1ccc(nn1)N/N=C/c1c(F)cccc1Cl

STK072093
Synonyms: N'- (2,3- dihydro- 1,4- benzodioxin- 6- ylcarbonyl)- 2,3- dihydro- 1,4- benzodioxine- 6- carbohydrazide
Smiles: O=C(c1ccc2c(c1)OCCO2)NNC(=O)c1ccc2c(c1)OCCO2

STK072158
Synonyms: N'- [(E)- (5- bromo- 2- hydroxy- 3- nitrophenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)N/N=C/c1cc(Br)cc(c1O)[N+](=O)[O-]

STK072174
Synonyms: 2- (3,4- dichlorophenyl)- 2- oxoethyl(2- oxo- 3,4- dihydro- 2H- 1,4- benzoxazin- 3- yl)acetate
Smiles: O=C(CC1Nc2ccccc2OC1=O)OCC(=O)c1ccc(c(c1)Cl)Cl

STK072177
Synonyms: 6- ethyl- 7- methyl- 2- phenyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)c1ccccc1

STK072187
Synonyms: 4- amino- 2- (3,4- dimethoxyphenyl)- 5H- chromeno[4,3- d]pyrimidin- 5- one
Smiles: COc1cc(ccc1OC)c1nc(N)c2c(n1)c1ccccc1oc2=O

STK072193
Synonyms: diethyl2- {[(2- fluorophenyl)carbonyl]amino}- 4,7- dihydrothieno[2,3- c]pyridine- 3,6(5H)- dicarboxylate
Smiles: CCOC(=O)c1c(sc2c1CCN(C2)C(=O)OCC)NC(=O)c1ccccc1F

STK072239
Synonyms: N- cyclohexyl- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NC1CCCCC1

STK072262
Synonyms: 6- tert- butyl- 2- {[(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]amino}- N- phenyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCC(C3)C(C)(C)C)ccc1O

STK072283
Synonyms: 5- [3- methoxy- 4- (naphthalen- 1- ylmethoxy)- 5- (prop- 2- en- 1- yl)benzylidene]- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCc1cccc2c1cccc2)OC

STK072324
Synonyms: N- [2- (2- fluorophenyl)- 1,3- benzoxazol- 5- yl]- 3,5- dinitrobenzamide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)c1ccccc1F

STK072326
Synonyms: pyridin- 3- yl1,3- benzodioxole- 5- carboxylate
Smiles: O=C(c1ccc2c(c1)OCO2)Oc1cccnc1

STK072348
Synonyms: (2Z)- 3- (4- fluorobenzyl)- 5- propyl- 2- [(2E)- (thiophen- 2- ylmethylidene)hydrazinylidene]- 1,3- thiazolidin- 4- one
Smiles: CCCC1S/C(=N\N=C\c2cccs2)/N(C1=O)Cc1ccc(cc1)F

STK072359
Synonyms: 3- (3,3- dichloroprop- 2- en- 1- yl)- 2- methoxy- 2- methyl- 2,3- dihydro- 1,5- benzoxazepin- 4(5H)- one
Smiles: COC1(C)Oc2ccccc2NC(=O)C1CC=C(Cl)Cl

STK072360
Synonyms: 2- {[5- (4- bromophenyl)- 1,3,4- oxadiazol- 2- yl]sulfanyl}- 1- (4- methoxyphenyl)ethanonehydrobromide
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(o1)c1ccc(cc1)Br.Br

STK072361
Synonyms: 4- ({(E)- [3- (benzyloxy)phenyl]methylidene}amino)benzenesulfonamide
Smiles: NS(=O)(=O)c1ccc(cc1)/N=C/c1cccc(c1)OCc1ccccc1

STK072392
Synonyms: 9- amino- 3,3- dimethyl- 3,4- dihydroacridin- 1(2H)- one
Smiles: O=C1CC(C)(C)Cc2c1c(N)c1c(n2)cccc1

STK072396
Synonyms: N- (4- ethoxyphenyl)- 2- (pyridin- 3- yl)piperidine- 1- carbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)N1CCCCC1c1cccnc1

STK072397
Synonyms: 5- bromo- N- [(3- hydroxypyridin- 2- yl)carbamothioyl]- 2- methoxybenzamide
Smiles: COc1ccc(cc1C(=O)NC(=S)Nc1ncccc1O)Br

STK072401
Synonyms: 6- amino- 7,7- dimethyl- 6,7- dihydropyrazolo[1,5- c]pyrimidine- 2,4- diol
Smiles: NN1C=C(O)c2n(C1(C)C)nc(c2)O

STK072407
Synonyms: 3- [(aminomethyl)sulfanyl]- 1- (4- fluorophenyl)pyrrolidine- 2,5- dione
Smiles: NCSC1CC(=O)N(C1=O)c1ccc(cc1)F

STK072423
Synonyms: (5E)- 5- {3- bromo- 5- methoxy- 4- [(3- methylbenzyl)oxy]benzylidene}imidazolidine- 2,4- dione
Smiles: COc1cc(/C=C\2/NC(=O)NC2=O)cc(c1OCc1cccc(c1)C)Br

STK072438
Synonyms: N- (16,18- dioxo- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaen- 17- yl)- 2- (naphthalen- 1- yl)acetamide(non- preferredname)
Smiles: O=C(Cc1cccc2c1cccc2)NN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3

STK072443
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (3- methoxypropyl)piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)Cc1cccc(c1O)OC

STK072449
Synonyms: N'- [(E)- (2- methyl- 1- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]pyridine- 4- carbohydrazide
Smiles: C=CCc1ccccc1OCCn1c2ccccc2c(c1C)/C=N/NC(=O)c1ccncc1

STK072463
Synonyms: 2,4- dichloro- N- [4- (pyridin- 3- yloxy)phenyl]benzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)Oc1cccnc1

STK072499
Synonyms: N- [3- (propan- 2- yloxy)propyl]- N'- (pyridin- 3- yl)butanediamide
Smiles: O=C(CCC(=O)Nc1cccnc1)NCCCOC(C)C

STK072553
Synonyms: 3- chloro- 4- ethoxy- N- [(2- fluorophenyl)carbamothioyl]benzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccccc1F

STK072565
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 4- {[(E)- (2- methyl- 1H- indol- 3- yl)methylidene]amino}benzenesulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)/N=C/c1c(C)[nH]c2c1cccc2

STK072574
Synonyms: 1- methyl- 1,2,3,4,5,7,8,9- octahydrocyclopenta[5,6]pyrido[2,3- b]azepin- 6- amine
Smiles: CN1CCCCc2c1nc1CCCc1c2N

STK072578
Synonyms: ethyl4- (2- {4- [(3- chloro- 2- methylphenyl)amino]- 4- oxobutanoyl}hydrazinyl)- 4- oxobutanoate
Smiles: Cc1c(NC(=O)CCC(=O)NNC(=O)CCC(=O)OCC)cccc1Cl

STK072582
Synonyms: 5- (diethylamino)- 2- (1,3- diphenylimidazolidin- 2- yl)phenol
Smiles: CCN(c1ccc(c(c1)O)C1N(CCN1c1ccccc1)c1ccccc1)CC

STK072584
Synonyms: 5- methyl- 1- (4- methylphenyl)- 1H- tetrazole
Smiles: Cc1ccc(cc1)n1nnnc1C

STK072597
Synonyms: N'- [bis(4- methoxyphenyl)methylidene]pyridine- 2- carbohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)c1ccccn1)/c1ccc(cc1)OC

STK072641
Synonyms: 4- {[4- (piperidin- 1- ylcarbonyl)- 2- (prop- 2- en- 1- yl)phenoxy]methyl}benzoicacid
Smiles: C=CCc1cc(ccc1OCc1ccc(cc1)C(=O)O)C(=O)N1CCCCC1

STK072647
Synonyms: N- (pyridin- 3- yl)- N'- [3- (trifluoromethyl)phenyl]pentanediamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CCCC(=O)Nc1cccnc1

STK072670
Synonyms: ethyl4- [(4Z)- 4- [3- methoxy- 4- (prop- 2- en- 1- yloxy)benzylidene]- 5- oxo- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoate
Smiles: C=CCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC

STK072686
Synonyms: 2,2,3,3- tetrafluoropropyl4- [(3- fluorophenyl)amino]- 4- oxobutanoate
Smiles: O=C(OCC(C(F)F)(F)F)CCC(=O)Nc1cccc(c1)F

STK072696
Synonyms: N- (2,6- dimethylphenyl)- 1- [(1H- indol- 3- ylacetyl)amino]cyclohexanecarboxamide
Smiles: O=C(NC1(CCCCC1)C(=O)Nc1c(C)cccc1C)Cc1c[nH]c2c1cccc2

STK072716
Synonyms: N- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- (4- sulfamoylbenzyl)acetamide
Smiles: Fc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccc(cc1)S(=O)(=O)N

STK072729
Synonyms: ethyl5,5- dimethyl- 2- {[4- (morpholin- 4- yl)butanoyl]amino}- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCCN2CCOCC2)sc2c1CC(C)(C)OC2

STK072747
Synonyms: methanediylbis(triphenylphosphonium)
Smiles: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

STK072757
Synonyms: (2Z)- 2,3- dimethyl- 4- oxo- 4- [(2- phenylethyl)amino]but- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NCCc1ccccc1

STK072777
Synonyms: 2,6- bis(2- fluorophenyl)- 8,10- dimethyl- 1,3,5,7- tetraoxododecahydro- 4,8- ethenopyrrolo[3,4- f]isoindol- 9- ylpropanoate
Smiles: CCC(=O)OC1=C(C)C2C3C(C1(C)C1C2C(=O)N(C1=O)c1ccccc1F)C(=O)N(C3=O)c1ccccc1F

STK072802
Synonyms: 1- (4- ethylphenyl)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)CC(=O)NC1=S

STK072804
Synonyms: 1H- benzotriazol- 1- yl(3,4- dimethylphenyl)methanone
Smiles: Cc1ccc(cc1C)C(=O)n1nnc2c1cccc2

STK072806
Synonyms: N- [2- (piperazin- 1- yl)ethyl]- N'- (propan- 2- yl)ethanediamide
Smiles: CC(NC(=O)C(=O)NCCN1CCNCC1)C

STK072849
Synonyms: 4- amino- 3- methyl- 3- phenylbutanoicacid
Smiles: NCC(c1ccccc1)(CC(=O)O)C

STK072874
Synonyms: 2- hydroxy- 6- (2- methylpropyl)- 4- phenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(O)nc(cc1c1ccccc1)CC(C)C

STK072892
Synonyms: 6- methoxy- 2- methyl- 4- (piperidin- 1- yl)quinoline
Smiles: COc1ccc2c(c1)c(cc(n2)C)N1CCCCC1

STK072910
Synonyms: S- {2- oxo- 2- [(2,4,6- trimethylphenyl)amino]ethyl}carbamothioate
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSC(=O)N

STK072913
Synonyms: {[6,6- dimethyl- 5- (morpholin- 4- yl)- 3,6- dihydro- 2H- pyran- 4- yl]methylidene}propanedinitrile
Smiles: N#CC(=CC1=C(N2CCOCC2)C(OCC1)(C)C)C#N

STK072916
Synonyms: (2Z)- 6,8- dichloro- 2- [(2,3- dimethylphenyl)imino]- N- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Clc1cc(Cl)c2c(c1)cc(/c(=N/c1cccc(c1C)C)/o2)C(=O)Nc1scc(n1)c1ccccc1

STK072927
Synonyms: 2- [(2,4- dimethylbenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(c(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK072968
Synonyms: (5Z)- 5- {4- [(3- chlorobenzyl)oxy]- 3- ethoxybenzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1OCc1cccc(c1)Cl)/C=C/1\SC(=S)NC1=O

STK072974
Synonyms: 4,6- dimethyl- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]pyrimidin- 2- amine
Smiles: Cc1ccc(cc1)c1csc(n1)Nc1nc(C)cc(n1)C

STK073013
Synonyms: 4- (morpholin- 4- yl)- 5- nitrospiro[benzimidazole- 2,1'- cyclohexane]1- oxide
Smiles: [O-][N+](=O)c1ccc2=[N+](C3(N=c2c1N1CCOCC1)CCCCC3)[O-]

STK073022
Synonyms: N- [2- (dimethylamino)ethyl]- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1)C

STK073031
Synonyms: N- {5- [(6- ethyl- 7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}benzamide
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1nnc(s1)NC(=O)c1ccccc1

STK073080
Synonyms: 2- [(1H- benzimidazol- 2- ylmethyl)sulfanyl]- 6- (thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCc1nc2c([nH]1)cccc2)c1cccs1

STK073086
Synonyms: (4Z)- 5- methyl- 4- [2- (2- methyl- 3- nitrophenyl)hydrazinylidene]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N\Nc1cccc(c1C)[N+](=O)[O-])c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK073100
Synonyms: (2E)- 1- (4- chlorophenyl)- 3- [(2- hydroxyphenyl)amino]prop- 2- en- 1- one
Smiles: Clc1ccc(cc1)C(=O)/C=C/Nc1ccccc1O

STK073103
Synonyms: 4- (4- chlorophenyl)- 2- [4- (ethoxycarbonyl)- 5- methyl- 1H- pyrrol- 2- yl]- 4- oxobutanoicacid
Smiles: CCOC(=O)c1cc([nH]c1C)C(C(=O)O)CC(=O)c1ccc(cc1)Cl

STK073112
Synonyms: N- cyclohexyl- 2- [(E)- 2- (1,3- dimethyl- 2- oxo- 2,3- dihydro- 1H- benzimidazol- 5- yl)ethenyl]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(c1c(/C=C/c2ccc3c(c2)n(C)c(=O)n3C)sc2c1CCCC2)NC1CCCCC1

STK073125
Synonyms: 2- (3- butyl- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl)- 1- (4- methoxyphenyl)ethanone
Smiles: CCCCn1c(=N)n(c2c1cccc2)CC(=O)c1ccc(cc1)OC

STK073130
Synonyms: N- [(E)- (4- bromophenyl)methylidene]- 4- (trifluoromethoxy)aniline
Smiles: FC(Oc1ccc(cc1)/N=C/c1ccc(cc1)Br)(F)F

STK073145
Synonyms: N- [(E)- {3- [(4- fluorobenzyl)oxy]phenyl}methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: Fc1ccc(cc1)COc1cccc(c1)/C=N/n1cnnc1

STK073153
Synonyms: (5,6- dimethyl- 1H- benzimidazol- 1- yl)(3- iodophenyl)methanone
Smiles: Ic1cccc(c1)C(=O)n1cnc2c1cc(C)c(c2)C

STK073168
Synonyms: 2- [3- (3,5- di- tert- butyl- 4- hydroxyphenyl)propanoyl]- N- (2,4,4- trimethylpentan- 2- yl)hydrazinecarbothioamide
Smiles: O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NNC(=S)NC(CC(C)(C)C)(C)C

STK073181
Synonyms: 5- bromo- N'- [(2E,3E,5E)- 6- phenylhexa- 3,5- dien- 2- ylidene]pyridine- 3- carbohydrazide
Smiles: Brc1cncc(c1)C(=O)N/N=C(/C=C/C=C/c1ccccc1)\C

STK073183
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)- N'- (3- methylbutyl)ethanediamide
Smiles: CC(CCNC(=O)C(=O)Nc1c(=O)[nH]c2c(c1O)cccc2)C

STK073189
Synonyms: 2- (2- amino[1,3]thiazolo[4,3- b][1,3,4]thiadiazol- 5- yl)- 4- nitrophenol
Smiles: [O-][N+](=O)c1cc(C2SC=c3n2nc(s3)N)c(cc1)O

STK073207
Synonyms:
Smiles: Nc1ncn(c2c1nc([nH]2)SCc1ccccc1)Cc1ccccc1

STK073217
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- [3- (1H- imidazol- 1- yl)propyl]piperidine- 4- carboxamide
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)NCCCn1ccnc1

STK073218
Synonyms: N- [2- (diethylamino)ethyl]- 2- (quinoxalin- 6- yloxy)acetamide
Smiles: CCN(CCNC(=O)COc1ccc2c(c1)nccn2)CC

STK073227
Synonyms: ethyl{(5E)- 5- [(7- methoxy- 1,3- benzodioxol- 5- yl)methylidene]- 2,4- dioxo- 1,3- thiazolidin- 3- yl}acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c3c(c2)OCO3)/C1=O

STK073237
Synonyms: methyl4- cyano- 4- (3,4- dimethoxyphenyl)cyclohexanecarboxylate
Smiles: COC(=O)C1CCC(CC1)(C#N)c1ccc(c(c1)OC)OC

STK073238
Synonyms: [4- (dipropan- 2- ylamino)- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl](phenyl)methanone
Smiles: CC(N(C1=C(NS(=O)(=O)c2c1cccc2)C(=O)c1ccccc1)C(C)C)C

STK073242
Synonyms: 2- {[2- amino- 5- cyano- 6- (methylsulfanyl)pyrimidin- 4- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nccs2)nc(nc1SC)N

STK073246
Synonyms: 2- (dibutylamino)ethylhydroxy(diphenyl)acetate
Smiles: CCCCN(CCCC)CCOC(=O)C(c1ccccc1)(c1ccccc1)O

STK073278
Synonyms: chloro(1H- indol- 3- yl)mercury
Smiles: Cl[Hg]c1c[nH]c2c1cccc2

STK073293
Synonyms: 4- {[(2- oxo- 1,3- benzoxazol- 3(2H)- yl)methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)NCn1c(=O)oc2c1cccc2

STK073294
Synonyms: (6E)- 6- (4- {2- [4- (butan- 2- yl)phenoxy]ethoxy}- 3,5- dimethoxybenzylidene)- 5- imino- 2- (2- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccc(cc1)OCCOc1c(OC)cc(cc1OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C)C

STK073299
Synonyms: methyl1- ethenyl- 1H- pyrazole- 3- carboxylate
Smiles: COC(=O)c1ccn(n1)C=C

STK073304
Synonyms: N- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- alanine
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2C)C)N[C@@H](C(=O)O)C

STK073311
Synonyms: 6- (4- chlorophenyl)- 2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}pyridine- 3- carbonitrile
Smiles: N#Cc1ccc(nc1SCC(=O)N1CCCCC1)c1ccc(cc1)Cl

STK073330
Synonyms: 2- (3,4- dimethoxyphenyl)- N- (4- fluorobenzyl)- N- methylethanamine
Smiles: COc1cc(CCN(Cc2ccc(cc2)F)C)ccc1OC

STK073331
Synonyms: 2,6- bis[4- (pentyloxy)phenyl]pyraniumperchlorate
Smiles: [O-][Cl](=O)(=O)=O.CCCCCOc1ccc(cc1)c1cccc([o+]1)c1ccc(cc1)OCCCCC

STK073346
Synonyms: 2- (4- chloro- 3- methylphenoxy)- 1- (pyrrolidin- 1- yl)ethanone
Smiles: O=C(N1CCCC1)COc1ccc(c(c1)C)Cl

STK073357
Synonyms: 3- chloro- 4- ethoxy- N- [(2- methoxyphenyl)carbamothioyl]benzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccccc1OC

STK073376
Synonyms: 3- [(4- chlorobenzyl)sulfanyl]- 4- ethyl- 5- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: CCn1c(SCc2ccc(cc2)Cl)nnc1c1ccc(cc1)C

STK073400
Synonyms: 2- chloro- 5- ({[(3- chloro- 4- ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK073401
Synonyms: [3- (4- fluorophenyl)- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](4- nitrophenyl)methanone
Smiles: Fc1ccc(cc1)C1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)[N+](=O)[O-]

STK073460
Synonyms: N- (3- hydroxy- 4,5- dimethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide- ethane(1:1)
Smiles: COc1c(O)cc(cc1OC)NC(=O)C12CC3CC(C2)CC(C1)C3.CC

STK073485
Synonyms: N- [(Z)- [(6- ethoxy- 4- methylquinazolin- 2- yl)amino]{[(4- methylphenyl)carbonyl]amino}methylidene]- 4- methylbenzamide
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)c1ccc(cc1)C)/NC(=O)c1ccc(cc1)C

STK073494
Synonyms: 4- (2- {(Z)- [3- methyl- 5- oxo- 1- (4- sulfamoylphenyl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]methyl}- 1H- pyrrol- 1- yl)benzenesulfonamide
Smiles: CC1=NN(C(=O)/C/1=C\c1cccn1c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)S(=O)(=O)N

STK073504
Synonyms: 2- {[(2E)- 3- (4- nitrophenyl)prop- 2- enoyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(Nc1sc2c(c1C(=O)N)CCCC2)/C=C/c1ccc(cc1)[N+](=O)[O-]

STK073507
Synonyms: 6,6- dimethyl- 5- oxo- 2- thioxo- 1,2,5,6,7,8- hexahydroquinoline- 3- carbonitrile
Smiles: N#Cc1cc2c([nH]c1=S)CCC(C2=O)(C)C

STK073557
Synonyms: hexaethyl2,2',2''- (1,3,5- triazine- 2,4,6- triyl)tris(nitropropanedioate)
Smiles: CCOC(=O)C(c1nc(nc(n1)C(C(=O)OCC)(C(=O)OCC)[N+](=O)[O-])C(C(=O)OCC)(C(=O)OCC)[N+](=O)[O-])(C(=O)OCC)[N+](=O)[O-]

STK073559
Synonyms: [(4E)- 2,6- dimethyl- 4- (2- phenylhydrazinylidene)- 3,4- dihydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: Cc1ccc2c(c1)/C(=N/Nc1ccccc1)/CC(N2C(=O)c1ccccc1)C

STK073564
Synonyms: N- (1- methoxypropan- 2- yl)- 1- (pyridin- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccccn1)C

STK073566
Synonyms: 2- {[(2- bromophenyl)carbonyl]amino}- N- (4- ethoxyphenyl)- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(sc2c1CCC(C2)C)NC(=O)c1ccccc1Br

STK073574
Synonyms: 1,1'- [(Z)- 1,2- dibromoethene- 1,2- diyl]bis(4- bromobenzene)
Smiles: Br/C(=C(/c1ccc(cc1)Br)\Br)/c1ccc(cc1)Br

STK073587
Synonyms: 4- methyl- N- (4'- nitrobiphenyl- 4- yl)benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]

STK073608
Synonyms: 5- methyl- 5- phenyl- 1,3- bis(2,4,4- trimethylpentan- 2- yl)- 1,3,5- diazaphosphinan- 5- ium
Smiles: CC(CC(N1CN(C[P+](C1)(C)c1ccccc1)C(CC(C)(C)C)(C)C)(C)C)(C)C

STK073620
Synonyms: 2- (2,5- dimethyl- 1H- indol- 3- yl)- N- [3- (morpholin- 4- yl)propyl]acetamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(C)cc2)NCCCN1CCOCC1

STK073632
Synonyms: 4- {(Z)- [(2Z)- 3- benzyl- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- ylidene]methyl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)Cc1ccccc1

STK073640
Synonyms: N- {(E)- amino[(4,7- dimethylquinazolin- 2- yl)amino]methylidene}propanamide
Smiles: CCC(=O)/N=C(/Nc1nc(C)c2c(n1)cc(cc2)C)\N

STK073649
Synonyms: 2- [(cyclohexylcarbamoyl)amino]benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)NC1CCCCC1

STK073650
Synonyms: (6Z)- 6- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}- 3- ethoxybenzylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCSc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK073656
Synonyms: N- [2- (dimethylamino)ethyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CN(CCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK073666
Synonyms: N- (1- methoxypropan- 2- yl)- 1- [4- (propan- 2- yl)benzyl]piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)C(C)C)C

STK073673
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 3- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3

STK073677
Synonyms: 2- {[(E)- (2,3- dihydroxyphenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccccc1/N=C/c1cccc(c1O)O

STK073703
Synonyms: 1- (1- methyl- 1H- benzimidazol- 2- yl)- 1- phenyl- 2- (thiophen- 2- yl)ethane- 1,2- diol
Smiles: Cn1c2ccccc2nc1C(C(c1cccs1)O)(c1ccccc1)O

STK073725
Synonyms: ethyl4- ({[5- (2,3- dichlorophenyl)furan- 2- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)c1ccc(o1)c1cccc(c1Cl)Cl

STK073729
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [2- (2- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK073769
Synonyms: (2E)- 3- (3- bromo- 4,5- dimethoxyphenyl)- 2- cyano- N- cyclopentylprop- 2- enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OC)/C(=O)NC1CCCC1

STK073774
Synonyms: N- (2- hydroxyethyl)- 2- oxo- 2,3- dihydro- 1H- benzimidazole- 5- sulfonamide
Smiles: OCCNS(=O)(=O)c1ccc2c(c1)[nH]c(=O)[nH]2

STK073802
Synonyms: N,N- dimethyl- 2- [(2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)oxy]ethanamine
Smiles: CN(CCOc1nc(nc2c1oc1c2cccc1)c1ccccc1)C

STK073847
Synonyms: 1- (4- bromocyclopenta- 1,3- dien- 1- yl)ethanone
Smiles: CC(=O)C1=CC=C(C1)Br

STK073849
Synonyms: 2- [(8- methoxy- 4- methylquinazolin- 2- yl)amino]pyrimidine- 4,6- diol
Smiles: COc1cccc2c1nc(Nc1nc(O)cc(n1)O)nc2C

STK073864
Synonyms: 2- {[N- (2- fluorophenyl)- N- (methylsulfonyl)glycyl]amino}benzamide
Smiles: O=C(CN(S(=O)(=O)C)c1ccccc1F)Nc1ccccc1C(=O)N

STK073889
Synonyms: (4E)- 4- (4- methylpent- 3- en- 1- ylidene)cyclohexane- 1,2- dicarboxylicacid
Smiles: CC(=CC/C=C/1\CCC(C(C1)C(=O)O)C(=O)O)C

STK073890
Synonyms: 7- [2- hydroxy- 3- (naphthalen- 1- yloxy)propyl]- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCOCC1)COc1cccc2c1cccc2

STK073928
Synonyms: 2- [4- (6- bromo- 4- phenylquinolin- 2- yl)phenoxy]- N'- [(E)- (3,4- dimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2)c2nc3ccc(cc3c(c2)c2ccccc2)Br)ccc1OC

STK073956
Synonyms: ethyl4- {[(2- ethoxy- 2- oxoethyl)carbamothioyl]amino}benzoate
Smiles: CCOC(=O)CNC(=S)Nc1ccc(cc1)C(=O)OCC

STK073997
Synonyms: 3- [(cyclohexylmethyl)amino]- 1- (4- phenoxyphenyl)pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccc(cc1)Oc1ccccc1)NCC1CCCCC1

STK074007
Synonyms: N- (3- ethoxypropyl)- 1- (3- methylbutyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CCC(C)C

STK074024
Synonyms: 1- (3- methoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc(c1)OC)C

STK074041
Synonyms: 2- (thiophen- 2- yl)quinoline
Smiles: c1csc(c1)c1ccc2c(n1)cccc2

STK074049
Synonyms: 3- butyl- 5- [4- (4- propylcyclohexyl)phenyl]- 1,2,4- oxadiazole
Smiles: CCCCc1noc(n1)c1ccc(cc1)C1CCC(CC1)CCC

STK074057
Synonyms: 2,5- di(pyridin- 3- yl)[1,3]thiazolo[5,4- d][1,3]thiazole
Smiles: c1ccc(cn1)c1nc2c(s1)nc(s2)c1cccnc1

STK074072
Synonyms: 7- [3- (4- bromophenoxy)- 2- hydroxypropyl]- 3- methyl- 8- sulfanyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Br

STK074078
Synonyms: N- {4- [(3,5- diphenyl- 1H- pyrazol- 1- yl)carbonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)n1nc(cc1c1ccccc1)c1ccccc1

STK074111
Synonyms: 4- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- 6- (piperidin- 1- yl)- N- (prop- 2- en- 1- yl)- 1,3,5- triazin- 2- amine
Smiles: C=CCNc1nc(nc(n1)N1CCCCC1)OC(C(F)(F)F)C(F)(F)F

STK074222
Synonyms: 5- imino- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carbonitrile
Smiles: N=c1c(cnc2n1ccs2)C#N

STK074228
Synonyms: N- (3- methoxynaphthalen- 1- yl)- 2,1,3- benzothiadiazole- 4- sulfonamide
Smiles: COc1cc2ccccc2c(c1)NS(=O)(=O)c1cccc2c1nsn2

STK074230
Synonyms: N- [4- ({[(4- fluorophenyl)carbonyl]carbamothioyl}amino)phenyl]thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1ccc(cc1)F)Nc1ccc(cc1)NC(=O)c1cccs1

STK074233
Synonyms: ethyl4- ({4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}amino)- 4- oxobutanoate
Smiles: CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK074246
Synonyms: 1- [3- (benzyloxy)benzyl]azepane
Smiles: C1CCCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK074255
Synonyms: N- {(E)- amino[(4,6- dimethylquinazolin- 2- yl)amino]methylidene}acetamide
Smiles: Cc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)C)/N

STK074290
Synonyms: 1- [3- hydroxy- 3- (trifluoromethyl)- 3a,4,5,6,7,8- hexahydrocyclohepta[c]pyrazol- 2(3H)- yl]- 2- methylpropan- 1- one
Smiles: CC(C(=O)N1N=C2C(C1(O)C(F)(F)F)CCCCC2)C

STK074301
Synonyms: 3- {(E)- [(4- nitrophenyl)imino]methyl}benzene- 1,2- diol
Smiles: [O-][N+](=O)c1ccc(cc1)/N=C/c1cccc(c1O)O

STK074303
Synonyms: 3- chloro- 6- [(2E)- 2- (4- ethylbenzylidene)hydrazinyl]pyridazine
Smiles: CCc1ccc(cc1)/C=N/Nc1ccc(nn1)Cl

STK074338
Synonyms: 2- (dimethylcarbamoyl)phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)N(C)C

STK074384
Synonyms: 4- (2- chloro- 4- {[(3,5- dibromo- 2- hydroxyphenyl)carbonyl]amino}phenyl)- N,N- diethylpiperazine- 1- carboxamide
Smiles: CCN(C(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=O)c1cc(Br)cc(c1O)Br)CC

STK074415
Synonyms: 1- {2- [4- (dimethylamino)phenyl]- 1- hydroxy- 4- methyl- 1H- imidazol- 5- yl}ethanone
Smiles: CN(c1ccc(cc1)c1nc(c(n1O)C(=O)C)C)C

STK074418
Synonyms: [2- (4- chlorophenyl)- 4- (4- ethylphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: CCc1ccc(cc1)c1nc(sc1CC(=O)O)c1ccc(cc1)Cl

STK074421
Synonyms: N'- {(3E)- 1- [(dipropylamino)methyl]- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene}- 2- ({[(1E)- 1- (thiophen- 2- yl)ethylidene]amino}oxy)acetohydrazide
Smiles: CCCN(CN1C(=O)/C(=N/NC(=O)CO/N=C(/c2cccs2)\C)/c2c1cccc2)CCC

STK074461
Synonyms: 8- [(furan- 2- ylmethyl)amino]- 1,3- dimethyl- 7- (naphthalen- 2- ylmethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccc3c(c1)cccc3)c(n2)NCc1ccco1

STK074462
Synonyms: 2- oxo- 2- {[3- (trifluoromethyl)phenyl]amino}ethylcarbamimidothioate
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSC(=N)N

STK074475
Synonyms: 2,4,5,6,7- pentaphenyl- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3,8(2H)- trione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C1(c3ccccc3)C(=C(C2(C1=O)c1ccccc1)c1ccccc1)c1ccccc1

STK074509
Synonyms: 1- [3- (thiophen- 2- yl)- 4- oxa- 1,2- diazaspiro[4.4]non- 2- en- 1- yl]ethanone
Smiles: CC(=O)N1N=C(OC21CCCC2)c1cccs1

STK074520
Synonyms: 2- [4- (prop- 2- en- 1- yloxy)phenoxy]acetamide
Smiles: C=CCOc1ccc(cc1)OCC(=O)N

STK074538
Synonyms: 1- cyclopropylethylacetate
Smiles: CC(C1CC1)OC(=O)C

STK074551
Synonyms: 4- benzyl- N- (3- phenoxybenzylidene)piperazin- 1- amine
Smiles: c1ccc(cc1)CN1CCN(CC1)/N=C/c1cccc(c1)Oc1ccccc1

STK074553
Synonyms: N,N,N'- trimethyl- 6- (2,2,2- trifluoroethoxy)- 1,3,5- triazine- 2,4- diamine
Smiles: CNc1nc(OCC(F)(F)F)nc(n1)N(C)C

STK074573
Synonyms: N- methyl- N- (naphthalen- 1- ylmethyl)butan- 1- amine
Smiles: CCCCN(Cc1cccc2c1cccc2)C

STK074577
Synonyms: N- (2- chlorophenyl)- 2- methoxyacetamide
Smiles: COCC(=O)Nc1ccccc1Cl

STK074586
Synonyms: N- [(E)- (4- methoxyphenyl)methylidene]- 4- (6- methyl- 1,3- benzothiazol- 2- yl)aniline
Smiles: COc1ccc(cc1)/C=N/c1ccc(cc1)c1nc2c(s1)cc(cc2)C

STK074599
Synonyms: 4- (quinolin- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1ccc2c(n1)cccc2

STK074606
Synonyms: 6- phenyl- 2- [(E)- 2- phenylethenyl]pyrimidin- 4(1H)- one
Smiles: O=c1nc(/C=C/c2ccccc2)[nH]c(c1)c1ccccc1

STK074607
Synonyms: 8- [(2- hydroxyethyl)sulfanyl]- 7- [2- hydroxy- 3- (naphthalen- 1- yloxy)propyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C

STK074620
Synonyms: (5E)- 5- (hydroxyimino)- 5- (1H- indol- 3- yl)pentanoicacid
Smiles: O/N=C(/c1c[nH]c2c1cccc2)\CCCC(=O)O

STK074628
Synonyms:
Smiles: COc1c2C=[N](C)CCc2cc2c1OCO2

STK074642
Synonyms: 2- (4- propoxybenzyl)propanedihydrazide
Smiles: CCCOc1ccc(cc1)CC(C(=O)NN)C(=O)NN

STK074644
Synonyms: 1- (4- fluorobenzyl)pyrrolidine
Smiles: Fc1ccc(cc1)CN1CCCC1

STK074655
Synonyms: 2- ({[(3Z)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]amino}oxy)acetamide
Smiles: NC(=O)CO/N=C/1\C(=O)Nc2c1cccc2

STK074663
Synonyms: 3- [5- (4'- pentylbiphenyl- 4- yl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: CCCCCc1ccc(cc1)c1ccc(cc1)c1onc(n1)c1cccnc1

STK074681
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (naphthalen- 1- ylmethyl)piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1cccc2c1cccc2)(C)C)C

STK074684
Synonyms: 2- [(2E)- 2- (1,3- benzodioxol- 5- ylmethylidene)hydrazinyl]pyridine- 3- carboxylicacid
Smiles: OC(=O)c1cccnc1N/N=C/c1ccc2c(c1)OCO2

STK074687
Synonyms: 1- (morpholin- 4- yl)- 2- (10H- phenothiazin- 10- yl)ethanone
Smiles: O=C(N1CCOCC1)CN1c2ccccc2Sc2c1cccc2

STK074702
Synonyms: (2E)- N- [2- (dimethylamino)ethyl]- 3- (4- methylphenyl)- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enamide
Smiles: CN(CCNC(=O)/C(=C\c1ccc(cc1)C)/n1ccccc1=O)C

STK074704
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (3,4- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK074730
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {3- ethoxy- 4- [2- (2- methylphenoxy)ethoxy]phenyl}prop- 2- enamide
Smiles: CCOc1cc(ccc1OCCOc1ccccc1C)/C=C(/C(=O)NCc1ccccc1)\C#N

STK074738
Synonyms: N- ethyl- 2- methyl- N- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methyl]prop- 2- en- 1- amine
Smiles: CCN(Cc1c(nc2n1ccs2)c1ccccc1)CC(=C)C

STK074753
Synonyms: diethyl{2- [(2E)- 2- {3- [(2,4- difluorophenoxy)methyl]- 4- methoxybenzylidene}hydrazinyl]- 2- oxoethyl}phosphonate
Smiles: CCOP(=O)(CC(=O)N/N=C/c1ccc(c(c1)COc1ccc(cc1F)F)OC)OCC

STK074763
Synonyms: 1- (4- fluorobenzyl)- 5- hydroxy- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Fc1ccc(cc1)CN1C(=O)C(=C(C1O)C)C

STK074782
Synonyms: 3- hydroxy- 6,8a- dimethyl- 3- (propan- 2- yl)- 1,2,3,3a,4,5,8,8a- octahydroazulen- 4- yl3,4- dimethoxybenzoate
Smiles: COc1ccc(cc1OC)C(=O)OC1CC(=CCC2(C1C(O)(CC2)C(C)C)C)C

STK074791
Synonyms: N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)- 2- [(4- phenyl- 1H- imidazol- 2- yl)sulfanyl]acetamide
Smiles: CCc1nnc(s1)NC(=O)CSc1[nH]cc(n1)c1ccccc1

STK074802
Synonyms: 4- tert- butyl- N- [2- (2,3- dichlorophenyl)- 1,3- benzoxazol- 5- yl]benzamide
Smiles: O=C(c1ccc(cc1)C(C)(C)C)Nc1ccc2c(c1)nc(o2)c1cccc(c1Cl)Cl

STK074810
Synonyms: 2- [(1Z)- 2- (cyclohexylamino)- N- hydroxy- 2- oxoethanimidoyl]- 1- methylpyridinium
Smiles: O/N=C(/c1cccc[n+]1C)\C(=O)NC1CCCCC1

STK074813
Synonyms: morpholin- 4- yl(5- phenoxy- 1H- indol- 2- yl)methanone
Smiles: O=C(c1cc2c([nH]1)ccc(c2)Oc1ccccc1)N1CCOCC1

STK074822
Synonyms: 2- {2- [2- (2- methoxyphenoxy)ethoxy]- 5- nitrophenyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccccc1OCCOc1ccc(cc1c1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N+](=O)[O-]

STK074836
Synonyms: 3,4- dimethoxy- N- (1H- 1,2,4- triazol- 3- yl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1n[nH]cn1

STK074841
Synonyms: [4- (4- methoxyphenyl)- 2- (4- nitrophenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: COc1ccc(cc1)c1nc(sc1CC(=O)O)c1ccc(cc1)[N+](=O)[O-]

STK074855
Synonyms: 8- [(2,2,6,6- tetramethylpiperidin- 4- yl)carbamoyl]naphthalene- 1- carboxylicacid
Smiles: O=C(c1cccc2c1c(ccc2)C(=O)O)NC1CC(C)(C)NC(C1)(C)C

STK074861
Synonyms: 3- (3- methoxyphenyl)- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1c1cccc(c1)OC

STK074871
Synonyms: N- (3- chloro- 2- methylphenyl)- 4- oxo- 4- [2- (phenylcarbamothioyl)hydrazinyl]butanamide
Smiles: O=C(NNC(=S)Nc1ccccc1)CCC(=O)Nc1cccc(c1C)Cl

STK074876
Synonyms: methyl(2Z)- (2- {[(3- chlorophenyl)carbonyl]amino}- 4- oxo- 1,3- thiazolidin- 5- ylidene)ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)NC(=O)c1cccc(c1)Cl

STK074878
Synonyms: 5- (2- ethyl- 1H- imidazol- 1- yl)- 5- oxopentanoicacid
Smiles: CCc1nccn1C(=O)CCCC(=O)O

STK074907
Synonyms: 2- chloro- N'- [(1Z,2E)- 3- (4- methoxyphenyl)- 1- phenylprop- 2- en- 1- ylidene]benzohydrazide
Smiles: COc1ccc(cc1)/C=C/C(=N/NC(=O)c1ccccc1Cl)/c1ccccc1

STK074922
Synonyms: [2- ({[4- (diethylamino)phenyl]amino}methyl)phenyl]methanol
Smiles: CCN(c1ccc(cc1)NCc1ccccc1CO)CC

STK074925
Synonyms: ethyl{[2- (1- benzofuran- 2- yl)- 1H- indol- 3- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1c([nH]c2c1cccc2)c1cc2c(o1)cccc2

STK074946
Synonyms: N- (naphthalen- 2- ylsulfonyl)methionine
Smiles: CSCCC(C(=O)O)NS(=O)(=O)c1ccc2c(c1)cccc2

STK074964
Synonyms: 5- (4- chlorophenyl)- 7- phenyl- 1,5- dihydro- 2H- pyrano[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)C1C=C(Oc2c1c(=O)[nH]c(=O)[nH]2)c1ccccc1

STK074968
Synonyms: 1- (furan- 2- yl)- 3- [(4- iodophenyl)amino]propan- 1- one
Smiles: Ic1ccc(cc1)NCCC(=O)c1ccco1

STK074979
Synonyms: N- benzyl- N- (pyridin- 2- yl)- 1,3- benzodioxole- 5- carboxamide
Smiles: O=C(N(c1ccccn1)Cc1ccccc1)c1ccc2c(c1)OCO2

STK074998
Synonyms: 3- amino- 4,6- dimethyl- N- (1- phenylethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Cc1cc(C)c2c(n1)sc(c2N)C(=O)NC(c1ccccc1)C

STK075011
Synonyms: 2- ({1- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]cyclohexyl}amino)ethanol
Smiles: OCCNC1(CCCCC1)c1nnnn1C(c1ccccc1)c1ccccc1

STK075053
Synonyms: (5Z)- 3- (3,4- dichlorophenyl)- 5- (2- hydroxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccc2O)/C(=O)N1c1ccc(c(c1)Cl)Cl

STK075060
Synonyms: 1- (4- chlorophenyl)- N- (naphthalen- 1- yl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: Clc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc2c1cccc2

STK075061
Synonyms: 2,5- dioxopyrrolidin- 1- ylN- tritylalaninate
Smiles: CC(C(=O)ON1C(=O)CCC1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

STK075067
Synonyms: 4,5- dihydroxy- 1,3- dimethyl- 4,5- diphenylimidazolidin- 2- one
Smiles: CN1C(=O)N(C(C1(O)c1ccccc1)(O)c1ccccc1)C

STK075068
Synonyms: N- [2- (2- methyl- 5- oxotetrahydrofuran- 2- yl)- 2- oxoethyl]pyridin- 2- aminium
Smiles: O=C1CCC(O1)(C)C(=O)C[NH2+]c1ccccn1

STK075077
Synonyms: 5,5- dimethyl- 2- [(phenylcarbamothioyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylicacid
Smiles: S=C(Nc1sc2c(c1C(=O)O)CC(OC2)(C)C)Nc1ccccc1

STK075082
Synonyms: methyl[(4- hydroxy- 5,7- dimethylpyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nc(O)c2c(n1)nc(cc2C)C

STK075090
Synonyms: 2- (4- bromophenyl)- N'- methyl- N'- phenylacetohydrazide
Smiles: O=C(NN(c1ccccc1)C)Cc1ccc(cc1)Br

STK075097
Synonyms: 4- hydroxy- N'- [(1E)- 1- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)ethylidene]- 2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: C=CCn1c(=O)c(C(=O)N/N=C(/c2c(=O)[nH]c3c(c2O)cccc3)\C)c(c2c1cccc2)O

STK075099
Synonyms: 2- (4- methylphenoxy)- N- {[4- (pyridin- 4- ylmethyl)phenyl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1ccc(cc1)Cc1ccncc1)COc1ccc(cc1)C

STK075101
Synonyms: 2- {[2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 6- methylpyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1cc(C)nc(n1)n1nc(cc1C)C

STK075130
Synonyms: 6- amino- 1- benzyl- 4- (2,3- dimethoxyphenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1OC)OC)c(C)nn2Cc1ccccc1

STK075136
Synonyms: 5- cyclohexylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)NC(=O)C1C1CCCCC1

STK075145
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 3- (prop- 2- en- 1- yl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- imine
Smiles: C=CCn1c(SC)nc2c(c1=N)c1CC(C)(C)OCc1s2

STK075146
Synonyms: N'- [(4- butoxyphenyl)carbonyl]- 4'- pentylbiphenyl- 4- carbohydrazide
Smiles: CCCCCc1ccc(cc1)c1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)OCCCC

STK075172
Synonyms: 2- [(3- butoxypropyl)carbamoyl]cyclohexanecarboxylicacid
Smiles: CCCCOCCCNC(=O)C1CCCCC1C(=O)O

STK075191
Synonyms: N- (4- cyanophenyl)- N'- (4- phenoxyphenyl)butanediamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK075204
Synonyms: N- cyclohexyl- N'- (3- methylbutyl)butanediamide
Smiles: CC(CCNC(=O)CCC(=O)NC1CCCCC1)C

STK075208
Synonyms: N- (2- ethylhexyl)- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: CCCCC(CNC(=O)CCC(=O)NCC1CCCO1)CC

STK075215
Synonyms: (4E)- 4- {5- bromo- 2- [2- (2,5- dimethylphenoxy)ethoxy]benzylidene}- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1cc(C)ccc1C

STK075216
Synonyms: 3- hydroxy- 4- {(E)- [(4- nitrophenyl)imino]methyl}- N- phenylnaphthalene- 2- carboxamide
Smiles: O=C(c1cc2ccccc2c(c1O)/C=N/c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1

STK075247
Synonyms: 4- [3- (2- chloro- 6- fluorophenyl)- 1,2,4- oxadiazol- 5- yl]- 2- (pyridin- 4- yl)quinoline
Smiles: Fc1cccc(c1c1noc(n1)c1cc(nc2c1cccc2)c1ccncc1)Cl

STK075249
Synonyms: [2- (2,4- dichlorophenoxy)ethyl](4,6- dimethylpyrimidin- 2- yl)cyanamide
Smiles: N#CN(c1nc(C)cc(n1)C)CCOc1ccc(cc1Cl)Cl

STK075253
Synonyms: 3- [({[4- amino- 5- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1N)c1ccc(cc1)C

STK075268
Synonyms: 2- cyclohexyl- 3- methoxy- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: COC1N(C2CCCCC2)C(=O)c2c1cccc2

STK075283
Synonyms: 2- amino- 4- (3,4- dichlorophenyl)- 7- methyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cl)Cl)c(=O)[nH]c(c2)C

STK075291
Synonyms: [2- (3- methyl- 1- phenyl- 1H- 1,2,4- triazol- 5- yl)phenoxy]aceticacid
Smiles: OC(=O)COc1ccccc1c1nc(nn1c1ccccc1)C

STK075298
Synonyms: (5Z)- 3- benzyl- 5- {5- chloro- 2- [3- (2- chlorophenoxy)propoxy]benzylidene}- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)OCCCOc1ccccc1Cl

STK075305
Synonyms: (4- {[(E)- (3- chlorophenyl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: Clc1cccc(c1)/C=N/c1ccc(cc1)C(=O)c1ccccc1

STK075306
Synonyms: (2E)- 6- chloro- 2- (6- chloro- 4- methyl- 3- oxo- 1- benzothiophen- 2(3H)- ylidene)- 4- methyl- 1- benzothiophen- 3(2H)- one
Smiles: Clc1cc2S/C(=C\3/Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C

STK075319
Synonyms: 7- methyl- 4- phenyl- 2- oxabicyclo[2.2.1]heptan- 3- one
Smiles: CC1C2CCC1(C(=O)O2)c1ccccc1

STK075322
Synonyms: 5- [({2- [4- (acetyloxy)phenyl]- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl}carbonyl)amino]benzene- 1,3- dicarboxylicacid
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O

STK075325
Synonyms: N,N'- [sulfonylbis(1,3- dioxo- 1,3- dihydro- 2H- isoindole- 5,2- diyl)]dipyridine- 3- carboxamide
Smiles: O=C1c2cc(ccc2C(=O)N1NC(=O)c1cccnc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C2=O)NC(=O)c1cccnc1

STK075332
Synonyms: methyl4,5- dimethoxy- 2- {[(4- nitrophenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1cc(OC)c(cc1NC(=O)c1ccc(cc1)[N+](=O)[O-])OC

STK075334
Synonyms: 3- {[(6- chloro- 1,3- benzodioxol- 5- yl)methyl]sulfanyl}- 1- methyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)C

STK075343
Synonyms: 2- ({2- iodo- 6- methoxy- 4- [(Z)- (3- methyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenoxy}methyl)benzonitrile
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)C)cc(c1OCc1ccccc1C#N)I

STK075345
Synonyms: 3- (4- ethoxyphenyl)- 2,2- diethyl- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: CCOc1ccc(cc1)N1C(=O)c2ccccc2NC1(CC)CC

STK075351
Synonyms: 2- (benzylsulfanyl)- 6- ethyl- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)SCc1ccccc1

STK075394
Synonyms: 1- phenyl- 3- [4- (phenylamino)phenyl]thiourea
Smiles: S=C(Nc1ccccc1)Nc1ccc(cc1)Nc1ccccc1

STK075418
Synonyms: 1- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 4- (phenylcarbonyl)- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCC3

STK075428
Synonyms: N- {1- [(3- bromo- 4- methylphenyl)carbamoyl]cyclohexyl}- 4- chloro- N- (furan- 2- ylmethyl)benzamide
Smiles: Clc1ccc(cc1)C(=O)N(C1(CCCCC1)C(=O)Nc1ccc(c(c1)Br)C)Cc1ccco1

STK075430
Synonyms: (4Z)- 4- [2- (2,5- dimethoxyphenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(c(c1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C)OC

STK075437
Synonyms: 4- [(4Z)- 4- {[5- (4- carboxyphenyl)furan- 2- yl]methylidene}- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

STK075443
Synonyms: N- (4- cyanophenyl)- N'- (pyridin- 3- yl)butanediamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)Nc1cccnc1

STK075473
Synonyms: 1- (2,4- dimethylphenyl)- 3- [(2- methylquinazolin- 4- yl)sulfanyl]propan- 2- one
Smiles: O=C(Cc1ccc(cc1C)C)CSc1nc(C)nc2c1cccc2

STK075516
Synonyms: 2- [(4- aminophenyl)sulfanyl]- 1- (4- methoxyphenyl)ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1ccc(cc1)N

STK075528
Synonyms: (4Z)- 4- [2- (4- hydroxyphenyl)hydrazinylidene]- 5- phenyl- 2- (4- phenyl- 1,3- thiazol- 2- yl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)c1ccccc1

STK075551
Synonyms: (2E)- N- (4- chlorophenyl)- 2- cyano- 3- (3,5- dichloro- 4- methoxyphenyl)prop- 2- enamide
Smiles: COc1c(Cl)cc(cc1Cl)/C=C(/C(=O)Nc1ccc(cc1)Cl)\C#N

STK075576
Synonyms: methyl3- methyl- 4- (5- {(Z)- [2- (pentafluorophenyl)hydrazinylidene]methyl}furan- 2- yl)benzoate
Smiles: COC(=O)c1ccc(c(c1)C)c1ccc(o1)/C=N\Nc1c(F)c(F)c(c(c1F)F)F

STK075583
Synonyms: 1- (2- hydroxybenzyl)- N- (2- methoxyethyl)piperidine- 4- carboxamide
Smiles: COCCNC(=O)C1CCN(CC1)Cc1ccccc1O

STK075585
Synonyms: (2E)- 3- {3- chloro- 4- [2- (3,5- dimethylphenoxy)ethoxy]phenyl}- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCCOc1cc(C)cc(c1)C)/C(=O)NCc1ccco1

STK075634
Synonyms: ethyl4- (4- carbamoylpiperidin- 1- yl)- 3- oxobutanoate
Smiles: CCOC(=O)CC(=O)CN1CCC(CC1)C(=O)N

STK075641
Synonyms: (2Z)- N- hydroxy- 3- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 6- nitro- 2H- chromen- 2- imine
Smiles: O/N=c/1\oc2ccc(cc2cc1c1scc(n1)c1ccc(cc1)C)[N+](=O)[O-]

STK075646
Synonyms: 1- (1,3- thiazol- 2- yl)pyrrolidine- 2,5- dione
Smiles: O=C1CCC(=O)N1c1nccs1

STK075667
Synonyms: 3- [(3- fluorophenyl)amino]- 1- (furan- 2- yl)propan- 1- one
Smiles: Fc1cccc(c1)NCCC(=O)c1ccco1

STK075687
Synonyms: 2,2'- [3- (4- methoxyphenyl)propane- 1,2- diyl]bis(1H- benzimidazole)
Smiles: COc1ccc(cc1)CC(c1nc2c([nH]1)cccc2)Cc1nc2c([nH]1)cccc2

STK075694
Synonyms: (2E)- 1,3- di(1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: O=C(c1c[nH]c2c1cccc2)/C=C/c1c[nH]c2c1cccc2

STK075700
Synonyms: 1- (4- fluorophenyl)- 3- (5- pentyl- 1,3,4- thiadiazol- 2- yl)urea
Smiles: CCCCCc1nnc(s1)NC(=O)Nc1ccc(cc1)F

STK075715
Synonyms: {4- [(1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)amino]- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 2- yl}acetonitrile
Smiles: N#CCN1C(=C(Nc2c(=O)n(n(c2C)C)c2ccccc2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK075769
Synonyms: N- [2- chloro- 4- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)phenyl]- 4- ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cccc2

STK075771
Synonyms: N- tritylvaline
Smiles: CC(C(C(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C

STK075776
Synonyms: 2- ({[4- (6- methyl- 1,3- benzothiazol- 2- yl)phenyl]amino}methylidene)- 5- (thiophen- 2- yl)cyclohexane- 1,3- dione
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N/C=C/1\C(=O)CC(CC1=O)c1cccs1

STK075799
Synonyms: N- acetyl- N- (1- benzyl- 4- phenyl- 1H- imidazol- 2- yl)acetamide
Smiles: CC(=O)N(c1nc(cn1Cc1ccccc1)c1ccccc1)C(=O)C

STK075848
Synonyms: 2- chloro- 5- ({[(4- fluorophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1)F)Nc1ccc(c(c1)C(=O)O)Cl

STK075850
Synonyms: 1- [3- (4- methyl- 3- nitrophenyl)- 4- oxa- 1,2- diazaspiro[4.4]non- 2- en- 1- yl]ethanone
Smiles: CC(=O)N1N=C(OC21CCCC2)c1ccc(c(c1)[N+](=O)[O-])C

STK075856
Synonyms: (5Z)- 5- (5- bromo- 2- methoxybenzylidene)- 2- (3- methylpiperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: COc1ccc(cc1/C=C/1\SC(=NC1=O)N1CCCC(C1)C)Br

STK075863
Synonyms: N,N'- [(5,5- dioxidodibenzo[b,d]thiene- 3,7- diyl)dicarbamothioyl]difuran- 2- carboxamide
Smiles: S=C(NC(=O)c1ccco1)Nc1ccc2c(c1)S(=O)(=O)c1c2ccc(c1)NC(=S)NC(=O)c1ccco1

STK075879
Synonyms: [(2,4,6- trimethylphenyl)methylidyne]azaneoxide
Smiles: [O-][N+]#Cc1c(C)cc(cc1C)C

STK075961
Synonyms: 5- amino- 2- (2- chlorophenyl)- 3- oxo- 2,3- dihydro- 1,2,4- triazine- 6- carbonitrile
Smiles: N#Cc1nn(c(=O)nc1N)c1ccccc1Cl

STK075975
Synonyms: 2- amino- 7- methyl- 4- (3- nitrophenyl)- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)[nH]c(c2)C

STK075984
Synonyms: N- {[4- (2- chloro- 4- nitrophenyl)piperazin- 1- yl]carbonothioyl}- 4- ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

STK076022
Synonyms: 4- [(1- cyclohexyl- 1H- tetrazol- 5- yl)methyl]morpholine
Smiles: C1CCC(CC1)n1nnnc1CN1CCOCC1

STK076048
Synonyms: 2- [(3- ethyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]propanoicacid
Smiles: CCn1c(SC(C(=O)O)C)nc2c(c1=O)c1CCCCc1s2

STK076075
Synonyms: (6Z)- 6- {3- chloro- 4- [3- (4- chlorophenoxy)propoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK076084
Synonyms: methyl4- methyl- 2- ({[5- (2- nitrophenyl)furan- 2- yl]carbonyl}amino)- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)NC(=O)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK076096
Synonyms: 2- (1,3- diphenylimidazolidin- 2- yl)- 1,2- dihydropyridine
Smiles: C1=CNC(C=C1)C1N(CCN1c1ccccc1)c1ccccc1

STK076109
Synonyms: (5Z,5'Z)- 3,3'- ethane- 1,2- diylbis[5- (4- methoxybenzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one]
Smiles: COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCN1C(=S)S/C(=C\c2ccc(cc2)OC)/C1=O

STK076131
Synonyms: 2- (3,4- diethoxyphenyl)- N- (4- {[(5- methyl- 1,2- oxazol- 3- yl)methyl]sulfonyl}phenyl)acetamide
Smiles: CCOc1cc(ccc1OCC)CC(=O)Nc1ccc(cc1)S(=O)(=O)Cc1noc(c1)C

STK076140
Synonyms: N'- [(E)- (5- bromo- 2- hydroxy- 3- methoxyphenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: COc1cc(Br)cc(c1O)/C=N/NC(=O)CNc1cccc2c1cccc2

STK076147
Synonyms: N~6~- (phenylcarbamothioyl)- N~2~- [(phenylcarbamothioyl)carbamothioyl]lysine
Smiles: S=C(Nc1ccccc1)NCCCCC(C(=O)O)NC(=S)NC(=S)Nc1ccccc1

STK076158
Synonyms: 4- [(E)- (2- chlorophenyl)diazenyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1ccccc1Cl

STK076174
Synonyms: (2E)- N- benzyl- 2- ({1- [2- (3,4- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)N/N=C/c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)C

STK076202
Synonyms: 1- (4- iodophenyl)pentan- 1- one
Smiles: CCCCC(=O)c1ccc(cc1)I

STK076203
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(E)- (4- hydroxy- 3- methoxy- 2- nitrophenyl)methylidene]acetohydrazide
Smiles: COc1c(O)ccc(c1[N+](=O)[O-])/C=N/NC(=O)COc1ccc(cc1Br)[N+](=O)[O-]

STK076212
Synonyms: N'- acetyl- 5- methylfuran- 3- carbohydrazide
Smiles: CC(=O)NNC(=O)c1coc(c1)C

STK076220
Synonyms: (5Z)- 5- (3- chloro- 5- methoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OC)/C=C/1\SC(=S)NC1=O

STK076221
Synonyms: 6- chloro- 3,4- dicyano- 2- imino- 9- methyl- N- [4- (propan- 2- yl)phenyl]- 2,9- dihydro- 1H- pyrido[2,3- b]indole- 1- carboxamide
Smiles: N#Cc1c(=N)n(C(=O)Nc2ccc(cc2)C(C)C)c2c(c1C#N)c1cc(Cl)ccc1n2C

STK076247
Synonyms: 2- fluoro- N- (pyridin- 2- yl)benzamide
Smiles: O=C(c1ccccc1F)Nc1ccccn1

STK076249
Synonyms: 3- (4- nitrophenyl)- 5- (4- propylcyclohexyl)- 1,2,4- oxadiazole
Smiles: CCCC1CCC(CC1)c1onc(n1)c1ccc(cc1)[N+](=O)[O-]

STK076256
Synonyms: 2- phenylquinoline- 4- carboxylicacid
Smiles: OC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK076294
Synonyms: (6Z)- 2- (2- chlorophenyl)- 6- (4- fluorobenzylidene)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1Cl

STK076304
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (4- nitrophenoxy)ethoxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK076331
Synonyms: 3- (2,3- dimethoxyphenyl)- N- (3- methylphenyl)- 2- (1H- tetrazol- 5- yl)propanamide
Smiles: COc1c(cccc1OC)CC(C(=O)Nc1cccc(c1)C)c1nnn[nH]1

STK076343
Synonyms: 6- {[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]amino}pyridine- 3- sulfonamide
Smiles: COc1ccc(cc1OC)c1csc(n1)Nc1ccc(cn1)S(=O)(=O)N

STK076354
Synonyms: N- [(1Z,3E,5E)- 1- (phenylamino)- 5- (phenylimino)penta- 1,3- dien- 2- yl]acetamide
Smiles: CC(=O)N/C(=C\Nc1ccccc1)/C=C/C=N/c1ccccc1

STK076379
Synonyms: 1- {5- [(3,4- dimethylphenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (3- methoxyphenyl)urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)COc1ccc(c(c1)C)C

STK076388
Synonyms: 1- (3,4- dimethoxybenzyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(c(c1)OC)OC

STK076398
Synonyms: 2- chloro- N'- {[(2- methylphenoxy)acetyl]oxy}benzenecarboximidamide
Smiles: O=C(O/N=C(/c1ccccc1Cl)\N)COc1ccccc1C

STK076426
Synonyms: N- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}glycine
Smiles: OC(=O)CNC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C

STK076452
Synonyms: 2- (4- fluorophenyl)- N- (4- methyl- 1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1scc(n1)C)Cc1ccc(cc1)F

STK076465
Synonyms: 1,3,5- triazinane- 2,4- dione
Smiles: O=C1NCNC(=O)N1

STK076477
Synonyms: 2,2'- (E)- diazene- 1,2- diylbis{4- phenyl- N- [(E)- phenylmethylidene]- 1H- imidazol- 1- amine}
Smiles: c1ccc(cc1)c1cn(c(n1)/N=N/c1nc(cn1/N=C/c1ccccc1)c1ccccc1)/N=C/c1ccccc1

STK076524
Synonyms: 2,4- dichloro- N- [(5- chloropyridin- 2- yl)carbamothioyl]benzamide
Smiles: Clc1ccc(nc1)NC(=S)NC(=O)c1ccc(cc1Cl)Cl

STK076549
Synonyms: 7- chloro- 4- [(2E)- 2- (2,5- dimethoxybenzylidene)hydrazinyl]quinoline
Smiles: COc1ccc(cc1/C=N/Nc1ccnc2c1ccc(c2)Cl)OC

STK076553
Synonyms: (5Z)- 2- (2,6- dimethylmorpholin- 4- yl)- 5- (4- nitrobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC1OC(C)CN(C1)C1=NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/S1

STK076579
Synonyms: 2- (tert- butylcarbamoyl)phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)NC(C)(C)C

STK076597
Synonyms: 2- [2- (4- chlorophenyl)ethyl]- 3- {[3- (morpholin- 4- yl)propyl]amino}- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: Clc1ccc(cc1)CCN1C(=O)c2c(C1NCCCN1CCOCC1)cccc2

STK076603
Synonyms: N- methyl- 6- (2,2,2- trifluoroethoxy)- 1,3,5- triazine- 2,4- diamine
Smiles: CNc1nc(OCC(F)(F)F)nc(n1)N

STK076609
Synonyms: 3,4,5- trimethoxy- N- {2- methyl- 1- [(3,4,5- trimethoxyphenyl)carbonyl]- 1,2,3,4- tetrahydroquinolin- 4- yl}- N- phenylbenzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)N(C1CC(C)N(c2c1cccc2)C(=O)c1cc(OC)c(c(c1)OC)OC)c1ccccc1

STK076619
Synonyms: N- [(E)- (2- chlorophenyl)methylidene]- 2- nitroaniline
Smiles: Clc1ccccc1/C=N/c1ccccc1[N+](=O)[O-]

STK076644
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: COc1cc(CCNC(=O)C(n2ccccc2=O)C(=O)c2cccc(c2)[N+](=O)[O-])ccc1OC

STK076646
Synonyms: 2- [(1- butyl- 1H- benzimidazol- 2- yl)sulfanyl]- 1- (naphthalen- 1- yl)ethanone
Smiles: CCCCn1c(SCC(=O)c2cccc3c2cccc3)nc2c1cccc2

STK076687
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

STK076691
Synonyms: 3- (5,6- dimethyl- 1H- benzimidazol- 2- yl)- 4- hydroxyquinolin- 2(1H)- one
Smiles: Cc1cc2[nH]c(nc2cc1C)c1c(=O)[nH]c2c(c1O)cccc2

STK076709
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 4- oxo- 4- {2- [(2,5,7- trimethyl- 1H- indol- 3- yl)acetyl]hydrazinyl}butanamide
Smiles: O=C(NNC(=O)Cc1c(C)[nH]c2c1cc(C)cc2C)CCC(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1

STK076767
Synonyms: 2- {[(3,5- dibromopyridin- 2- yl)amino]methyl}- 5- methoxyphenol
Smiles: COc1ccc(c(c1)O)CNc1ncc(cc1Br)Br

STK076796
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- (prop- 2- en- 1- yl)butanediamide
Smiles: C=CCNC(=O)CCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK076800
Synonyms: 3- methoxy- 2- [2- (pyrrolidin- 1- yl)ethyl]- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: COC1N(CCN2CCCC2)C(=O)c2c1cccc2

STK076823
Synonyms: isoquinoline- 5- carbonitrile
Smiles: N#Cc1cccc2c1ccnc2

STK076831
Synonyms: 3- (4- methylphenyl)- 2- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)n1c(nc2c(c1=O)c1CCCc1s2)c1ccccc1

STK076839
Synonyms: 3- hydroxy- N- methylnaphthalene- 2- carboxamide- 4- chloro- 2- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1cc2ccccc2cc1O.N=Cc1cc(Cl)ccc1O

STK076862
Synonyms: [5- hydroxy- 5- (pentafluoroethyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl](4- methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1

STK076866
Synonyms: N- (4- bromophenyl)- 2- [(3,5- dicyano- 4- methyl- 6- oxo- 1,4,5,6- tetrahydropyridin- 2- yl)sulfanyl]acetamide
Smiles: CC1C(=C(SCC(=O)Nc2ccc(cc2)Br)NC(=O)C1C#N)C#N

STK076889
Synonyms: N'- {(E)- phenyl[4- (trifluoromethyl)phenyl]methylidene}pyridine- 2- carbohydrazide
Smiles: O=C(c1ccccn1)N/N=C(/c1ccc(cc1)C(F)(F)F)\c1ccccc1

STK076918
Synonyms: ethyl(2E)- 3- {1- [2- (2- chlorophenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccccc1Cl)/C#N

STK076922
Synonyms: 2- (2- chlorophenyl)- 1- hydroxy- 1,5,6,7- tetrahydro- 4H- benzimidazol- 4- one
Smiles: Clc1ccccc1c1nc2c(n1O)CCCC2=O

STK076923
Synonyms: 2- (benzylimino)- 5,5- diethyldihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCC1(CC)C(=O)NC(=NCc2ccccc2)NC1=O

STK076940
Synonyms: (5Z)- 3- (4- bromobenzyl)- 5- (2- hydroxy- 3- methoxy- 5- nitrobenzylidene)imidazolidine- 2,4- dione
Smiles: COc1cc(cc(c1O)/C=C/1\NC(=O)N(C1=O)Cc1ccc(cc1)Br)[N+](=O)[O-]

STK076958
Synonyms: N- (2- hydroxy- 4,5- dimethylphenyl)- 4- methyl- 3- nitrobenzamide
Smiles: O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1cc(C)c(cc1O)C

STK076965
Synonyms: methyl5- phenyl- 1,2,4- oxadiazole- 3- carboxylate
Smiles: COC(=O)c1noc(n1)c1ccccc1

STK076967
Synonyms: [5- tert- butyl- 5- hydroxy- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](cyclopropyl)methanone
Smiles: O=C(N1N=C(CC1(O)C(C)(C)C)C(F)(F)F)C1CC1

STK076989
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- (4- methylphenoxy)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)COc1ccc(cc1)C

STK076999
Synonyms: N- (4- cyanophenyl)- N'- (3- methylbutyl)butanediamide
Smiles: CC(CCNC(=O)CCC(=O)Nc1ccc(cc1)C#N)C

STK077012
Synonyms: 3- (biphenyl- 4- yl)- N'- [(1E)- 1- (4- methylphenyl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)c1ccccc1)/C

STK077020
Synonyms: [1- (morpholin- 4- ylmethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]propanedinitrile
Smiles: N#CC(=C1C(=O)N(c2c1cccc2)CN1CCOCC1)C#N

STK077030
Synonyms: 2- [3- chloro- 5- ethoxy- 4- (naphthalen- 1- ylmethoxy)phenyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK077032
Synonyms: ethyl(2Z)- 2- {[1- (cyanomethyl)- 2- methyl- 1H- indol- 3- yl]methylidene}- 7- methyl- 5- [4- (methylsulfanyl)phenyl]- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1c(C)n(c3c1cccc3)CC#N)/s2

STK077046
Synonyms: 2- (4- chlorophenoxy)- N'- [(1E)- 1- (2- hydroxyphenyl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1)Cl)N/N=C(/c1ccccc1O)\C

STK077078
Synonyms: N- [4- (phenylamino)phenyl]tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)Nc1ccccc1

STK077082
Synonyms: 2,5- dioxopyrrolidin- 1- ylO- benzyl- N- [(9H- fluoren- 9- ylmethoxy)carbonyl]threoninate
Smiles: O=C(NC(C(=O)ON1C(=O)CCC1=O)C(OCc1ccccc1)C)OCC1c2ccccc2c2c1cccc2

STK077085
Synonyms: N- (1- hydroxy- 2- methylpropan- 2- yl)- 1- (3- methoxybenzyl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1cccc(c1)OC)(C)C

STK077126
Synonyms: (4E)- 5- methyl- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 4- [2- (2,4,6- trimethylphenyl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2c(C)cc(cc2C)C)/C1=O)C

STK077181
Synonyms: 4- {[(E)- (4- methoxynaphthalen- 1- yl)methylidene]amino}benzamide
Smiles: COc1ccc(c2c1cccc2)/C=N/c1ccc(cc1)C(=O)N

STK077190
Synonyms: 4- methoxy- 6- methyl- 2- (methylsulfonyl)pyrimidine
Smiles: COc1cc(C)nc(n1)S(=O)(=O)C

STK077193
Synonyms: 2- oxo- 2- [(5- propyl- 1,3,4- thiadiazol- 2- yl)amino]ethyl(2E)- 3- (furan- 2- yl)prop- 2- enoate
Smiles: CCCc1nnc(s1)NC(=O)COC(=O)/C=C/c1ccco1

STK077208
Synonyms: N- [3- cyano- 5- ethyl- 4- (furan- 2- yl)- 6- propylpyridin- 2- yl]acetamide
Smiles: CCCc1nc(NC(=O)C)c(c(c1CC)c1ccco1)C#N

STK077221
Synonyms: 2,5- dimethyl- 1H- benzimidazole
Smiles: Cc1ccc2c(c1)nc([nH]2)C

STK077234
Synonyms: (3- fluorophenyl)[4- (1H- indol- 3- ylmethyl)piperazin- 1- yl]methanone
Smiles: Fc1cccc(c1)C(=O)N1CCN(CC1)Cc1c[nH]c2c1cccc2

STK077288
Synonyms: tetramethyl9'- ethoxy- 5',5'- dimethyl- 6'- {[(4- methylphenyl)sulfonyl]carbamoyl}- 5',6'- dihydrospiro[1,3- dithiole- 2,1'- thiopyrano[2,3- c]quinoline]- 2',3',4,5- tetracarboxylate
Smiles: CCOc1ccc2c(c1)C1=C(C(N2C(=O)NS(=O)(=O)c2ccc(cc2)C)(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

STK077289
Synonyms: 1- (4- chlorophenyl)- 3- [(pyridin- 3- ylmethyl)amino]pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)N1C(=O)CC(C1=O)NCc1cccnc1

STK077291
Synonyms: 2- [2- (6- chloro- 2- imino- 2H- chromen- 3- yl)- 1,3- thiazol- 4- yl]- 3H- benzo[f]chromen- 3- one
Smiles: Clc1ccc2c(c1)cc(c(=N)o2)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK077300
Synonyms: N- (4- fluorobenzyl)- N- methylbutan- 1- amine
Smiles: CCCCN(Cc1ccc(cc1)F)C

STK077330
Synonyms: 6,8- dichloro- 3- [2- (6- nitro- 2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 4- yl]- 2H- chromen- 2- one
Smiles: Clc1cc(Cl)c2c(c1)cc(c(=O)o2)c1csc(n1)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK077407
Synonyms: 4- (2- chloro- 4- {[(5- chloro- 2- hydroxyphenyl)carbonyl]amino}phenyl)- N,N- diethylpiperazine- 1- carboxamide
Smiles: CCN(C(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=O)c1cc(Cl)ccc1O)CC

STK077411
Synonyms: 4- nitroanilinium4- (2- oxopyrrolidin- 1- yl)benzenesulfonate
Smiles: [O-][N+](=O)c1ccc(cc1)[NH3+].O=C1CCCN1c1ccc(cc1)S(=O)(=O)[O-]

STK077444
Synonyms: 5- acetyl- 2- amino- N- (4- fluorophenyl)- 4- methylthiophene- 3- carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1c(N)sc(c1C)C(=O)C

STK077450
Synonyms: (4E)- 2- (1,3- benzothiazol- 2- yl)- 4- {[(3- hydroxypropyl)amino]methylidene}- 5- {[(4- methylphenyl)sulfanyl]methyl}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: OCCCN/C=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)C

STK077464
Synonyms: 2- (biphenyl- 4- yl)- 5- (4- butoxyphenyl)- 1,3,4- thiadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(s1)c1ccc(cc1)c1ccccc1

STK077481
Synonyms: (2- methylphenyl)(phenyl)bromonium
Smiles: Cc1ccccc1[Br+]c1ccccc1

STK077483
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- [4- (3,4- dihydroisoquinolin- 2(1H)- ylcarbonyl)piperidin- 1- yl]- 3- phenylpropane- 1,3- dione
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCC(CC1)C(=O)N1CCc2c(C1)cccc2

STK077546
Synonyms: N- [(4- phenyl- 1,3- thiazol- 2- yl)carbamothioyl]- 4- (propan- 2- yloxy)benzamide
Smiles: CC(Oc1ccc(cc1)C(=O)NC(=S)Nc1scc(n1)c1ccccc1)C

STK077572
Synonyms: (2E)- 4- {[2- (3,4- dimethoxyphenyl)ethyl][1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]amino}- 4- oxobut- 2- enoicacid
Smiles: COc1cc(CCN(C2CC(=O)N(C2=O)c2ccc(cc2)F)C(=O)/C=C/C(=O)O)ccc1OC

STK077612
Synonyms: 3- phenyl- 9- (trifluoromethyl)- 5,6,7,8- tetrahydropyrazolo[5,1- b]quinazoline
Smiles: FC(c1c2CCCCc2nc2n1ncc2c1ccccc1)(F)F

STK077623
Synonyms: 7- (2,4- dichlorobenzyl)- 8- hydroxy- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(O)nc2c1c(=O)n(C)c(=O)n2C

STK077632
Synonyms: N- (1,3- benzothiazol- 2- yl)- 2,2- dichloroacetamide
Smiles: O=C(C(Cl)Cl)Nc1nc2c(s1)cccc2

STK077649
Synonyms: N- (5- methyl- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)benzamide
Smiles: CC1SC(=NC1=O)NC(=O)c1ccccc1

STK077655
Synonyms: 3- [5- (4- fluorophenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: Fc1ccc(cc1)c1onc(n1)c1cccnc1

STK077675
Synonyms: 3- amino- N- (4- bromophenyl)- 4- cyano- 5- (phenylamino)thiophene- 2- carboxamide
Smiles: N#Cc1c(Nc2ccccc2)sc(c1N)C(=O)Nc1ccc(cc1)Br

STK077677
Synonyms: 1,1'- (1,1':4',1''- terphenyl- 4,4''- diyl)dihexan- 1- one
Smiles: CCCCCC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)CCCCC

STK077683
Synonyms: {[(4E)- 4- [(2,6- dimethylphenyl)imino]- 1- (2- hydroxyphenyl)- 1,3- diazaspiro[4.4]non- 2- en- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSC1=N/C(=N/c2c(C)cccc2C)/C2(N1c1ccccc1O)CCCC2

STK077693
Synonyms: (3Z)- 5- bromo- 3- [4- oxo- 3- (tetrahydrofuran- 2- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 5- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)/C(=C\1/SC(=S)N(C1=O)CC1CCCO1)/C(=O)N2

STK077705
Synonyms: 4- (5- methyl- 1H- pyrrol- 2- yl)- 4- oxobutanoicacid
Smiles: Cc1ccc([nH]1)C(=O)CCC(=O)O

STK077717
Synonyms: (4Z)- 5- oxo- 3- phenyl- 4- (2- phenylhydrazinylidene)- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccccc2)/C1=O)c1ccccc1

STK077740
Synonyms: 1- ethyl- 6- fluoro- 7- {4- [(2- nitrophenyl)carbonyl]piperazin- 1- yl}- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccccc1[N+](=O)[O-])c(c2)F

STK077763
Synonyms: N,4- dimethylbenzamide- 2,4- dibromo- 6- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccc(cc1)C.N=Cc1cc(Br)cc(c1O)Br

STK077770
Synonyms: 2- {[3- (dimethylamino)propyl]sulfanyl}- 3- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCCCN(C)C)nc2c(c1=O)cccc2

STK077798
Synonyms: 4- [(E)- (2- methoxyphenyl)diazenyl]- 1,2- oxazole- 3,5- diamine
Smiles: COc1ccccc1/N=N/c1c(N)noc1N

STK077811
Synonyms: 1- (2,5- dimethoxybenzyl)- N- (tetrahydrofuran- 2- ylmethyl)piperidine- 4- carboxamide
Smiles: COc1ccc(cc1CN1CCC(CC1)C(=O)NCC1CCCO1)OC

STK077819
Synonyms: N'- [(E)- {4- [3- (2- chlorophenoxy)propoxy]- 3- methoxyphenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccccc1Cl

STK077845
Synonyms: bis(pentafluorophenyl)carbonate
Smiles: O=C(Oc1c(F)c(F)c(c(c1F)F)F)Oc1c(F)c(F)c(c(c1F)F)F

STK077858
Synonyms: 2- [(4- hydroxy- 6- methylpyrimidin- 2- yl)amino]- 7- methylquinazolin- 4- ol
Smiles: Cc1nc(nc(c1)O)Nc1nc(O)c2c(n1)cc(cc2)C

STK077865
Synonyms: 5- (2,4- dichlorophenoxy)- 3- nitro- 1- (prop- 2- en- 1- yl)- 1H- 1,2,4- triazole
Smiles: C=CCn1nc(nc1Oc1ccc(cc1Cl)Cl)[N+](=O)[O-]

STK077871
Synonyms: N'- [(E)- (4- hydroxy- 3- iodophenyl)methylidene]- 2- (naphthalen- 1- ylamino)acetohydrazide(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)N/N=C/c1ccc(c(c1)I)O

STK077887
Synonyms: N- (4- {[(phenylacetyl)carbamothioyl]amino}phenyl)thiophene- 2- carboxamide
Smiles: O=C(Cc1ccccc1)NC(=S)Nc1ccc(cc1)NC(=O)c1cccs1

STK077895
Synonyms: 1- (2- hydroxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccccc1O)C

STK077917
Synonyms: N,N'- bis[(4- nitrophenyl)sulfonyl]butanediamide
Smiles: O=C(NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CCC(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK077925
Synonyms: N- (2- ethylphenyl)- N'- [3- (propan- 2- yloxy)propyl]ethanediamide
Smiles: CCc1ccccc1NC(=O)C(=O)NCCCOC(C)C

STK077942
Synonyms: N- [(2Z)- 3- (1H- benzimidazol- 2- yl)- 8- methoxy- 2H- chromen- 2- ylidene]pyridin- 2- amine
Smiles: COc1cccc2c1o/c(=N\c1ccccn1)/c(c2)c1nc2c([nH]1)cccc2

STK077983
Synonyms: 6- amino- 4- (6- bromo- 1,3- benzodioxol- 5- yl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc3OCOc3cc1Br)c(C)n[nH]2

STK077996
Synonyms: 4- (1,3- benzoxazol- 2- ylsulfanyl)but- 2- yn- 1- ylacetate
Smiles: CC(=O)OCC#CCSc1nc2c(o1)cccc2

STK077997
Synonyms: 2- (3,4- dihydroisoquinolin- 2(1H)- ylmethyl)phenol
Smiles: Oc1ccccc1CN1CCc2c(C1)cccc2

STK078003
Synonyms: 3- (2- chlorophenyl)- N'- [(1E)- 1- (3,4- dimethoxyphenyl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1[nH]nc(c1)c1ccccc1Cl)/C

STK078010
Synonyms: N,N- bis(2- methylpropyl)- 2- nitrobenzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(C)C)C

STK078032
Synonyms: 1- (2- ethoxyphenyl)- 4- [4- (4- methoxyphenyl)butan- 2- yl]piperazine
Smiles: CCOc1ccccc1N1CCN(CC1)C(CCc1ccc(cc1)OC)C

STK078040
Synonyms: (2Z)- N- [4- (2,4- dimethylphenyl)- 1,3- thiazol- 2- yl]- 6- methoxy- 2- [(3- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(/c(=N/c1cccc(c1)C)/o2)C(=O)Nc1scc(n1)c1ccc(cc1C)C

STK078048
Synonyms: 6- chloro- 3- [(5- cyclopropyl- 4- ethyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 4- phenylquinolin- 2(1H)- one
Smiles: CCn1c(nnc1C1CC1)Sc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK078050
Synonyms: 4- methyl- N- {2- [2- (1,3- thiazol- 2- yl)ethyl]phenyl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1nccs1

STK078068
Synonyms: 4- oxo- 4- {2- [(5- phenoxy- 1H- indol- 2- yl)carbonyl]hydrazinyl}- N- (pyridin- 2- ylmethyl)butanamide
Smiles: O=C(NNC(=O)c1cc2c([nH]1)ccc(c2)Oc1ccccc1)CCC(=O)NCc1ccccn1

STK078075
Synonyms: diethyl[(pyridin- 4- ylamino)methylidene]propanedioate
Smiles: CCOC(=O)C(=CNc1ccncc1)C(=O)OCC

STK078080
Synonyms: N- (4- {[4- (acetylamino)phenyl]amino}- 9,10- dioxo- 9,10- dihydroanthracen- 1- yl)benzamide
Smiles: CC(=O)Nc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1

STK078090
Synonyms: 3- [(Z)- (3- carboxy- 5- methyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)(2,6- dichloro- 3- sulfophenyl)methyl]- 5- methylbenzoicacid- methanol(1:1)
Smiles: Cc1cc(cc(c1)C(=O)O)/C(=C/1\C=C(C)C(=O)C(=C1)C(=O)O)/c1c(Cl)ccc(c1Cl)S(=O)(=O)O.OC

STK078145
Synonyms: methyl2- cyclopentyl- 3- oxo- 3- (pyrimidin- 2- ylamino)propanoate
Smiles: COC(=O)C(C(=O)Nc1ncccn1)C1CCCC1

STK078165
Synonyms: 1- [2- (4- tert- butylphenoxy)ethyl]- 1H- benzimidazol- 2- amine
Smiles: Nc1nc2c(n1CCOc1ccc(cc1)C(C)(C)C)cccc2

STK078167
Synonyms: 4- iodophenyl4- heptylbenzoate
Smiles: CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)I

STK078170
Synonyms: (3S,7S)- 7,14,16- trihydroxy- 3- methyl- 3,4,5,6,7,8,9,10,11,12- decahydro- 1H- 2- benzoxacyclotetradecin- 1- one
Smiles: O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O

STK078200
Synonyms: 3- (9- benzyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)propan- 1- amine
Smiles: NCCCC1CCCc2c1n(Cc1ccccc1)c1c2cccc1

STK078207
Synonyms: 4- {1- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]cyclohexyl}- 4,5- dihydro- 1,2,4- triazin- 6(1H)- one
Smiles: O=C1NN=CN(C1)C1(CCCCC1)c1nnnn1c1c(C)cccc1C

STK078227
Synonyms: 4,4'- [(4- bromophenyl)methanediyl]bis(3- phenyl- 1H- pyrazol- 5- ol)
Smiles: Brc1ccc(cc1)C(c1c(O)[nH]nc1c1ccccc1)c1c(O)[nH]nc1c1ccccc1

STK078238
Synonyms: 4- chloro- 3- ({[(3,5- dimethylphenoxy)acetyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1cc(ccc1Cl)C(=O)O)COc1cc(C)cc(c1)C

STK078262
Synonyms: 2- [(2,4- dichlorophenyl)carbonyl]hydrazinecarbothioamide
Smiles: NC(=S)NNC(=O)c1ccc(cc1Cl)Cl

STK078268
Synonyms: N,N'- bis[(E)- (2,4- dichlorophenyl)methylidene]- 4- methylbenzene- 1,3- diamine
Smiles: Clc1ccc(c(c1)Cl)/C=N/c1ccc(c(c1)/N=C/c1ccc(cc1Cl)Cl)C

STK078274
Synonyms: ethyl(2Z)- 2- (2- hydroxy- 3,5- diiodobenzylidene)- 7- methyl- 3- oxo- 5- [2- (propan- 2- yloxy)phenyl]- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1cc(I)cc(c1O)I)/s2

STK078282
Synonyms: 1- (cyclohexylcarbamoyl)- 2,2,4- trimethyl- 1,2- dihydroquinolin- 6- ylcyclohexylcarbamate
Smiles: O=C(Oc1ccc2c(c1)C(=CC(N2C(=O)NC1CCCCC1)(C)C)C)NC1CCCCC1

STK078287
Synonyms: 1- benzyl- 2- {[2- (3,4- dimethylphenoxy)ethyl]sulfanyl}- 1H- benzimidazole
Smiles: Cc1ccc(cc1C)OCCSc1nc2c(n1Cc1ccccc1)cccc2

STK078339
Synonyms: N- (3- hydroxyphenyl)- 2- methyl- 5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: Oc1cccc(c1)NS(=O)(=O)c1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2

STK078357
Synonyms: ethyl(2Z)- 5- amino- 8- cyano- 2- (4- methoxybenzylidene)- 7- (4- methoxyphenyl)- 3- oxo- 2,3- dihydro- 7H- [1,3]thiazolo[3,2- a]pyridine- 6- carboxylate
Smiles: CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)OC)C#N)s/c(=C\c1ccc(cc1)OC)/c2=O

STK078361
Synonyms: 4- bromo- N'- [(1Z)- 1- (2,5- dihydroxyphenyl)ethylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C(\c1cc(O)ccc1O)/C

STK078367
Synonyms: 3- (2- carboxyethyl)- 4- chloro- 2- methylquinoline- 6- carboxylicacid
Smiles: OC(=O)CCc1c(C)nc2c(c1Cl)cc(cc2)C(=O)O

STK078369
Synonyms: 2- (4- hydroxy- 2- methylphenyl)- 5- nitro- 1H- isoindole- 1,3(2H)- dione
Smiles: Oc1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

STK078413
Synonyms: N,4- dimethylbenzamide- 5- (diethylamino)- 2- (iminomethyl)phenol(1:1)
Smiles: CCN(c1ccc(c(c1)O)C=N)CC.CNC(=O)c1ccc(cc1)C

STK078414
Synonyms: (5E)- 5- {4- [3- (3,4- dimethylphenoxy)propoxy]- 3- ethoxybenzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1OCCCOc1ccc(c(c1)C)C)/C=C\1/SC(=S)N(C1=O)C

STK078439
Synonyms: 3- [3- (thiophen- 2- ylmethyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: c1ccc(cn1)c1onc(n1)Cc1cccs1

STK078473
Synonyms: 5- (3,5- dichloro- 4- hydroxybenzylidene)- 1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CN1C(=S)N(C)C(=O)C(=Cc2cc(Cl)c(c(c2)Cl)O)C1=O

STK078485
Synonyms: (2Z)- N- hydroxy- 6- nitro- 3- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromen- 2- imine
Smiles: O/N=c/1\oc2ccc(cc2cc1c1scc(n1)c1ccccc1)[N+](=O)[O-]

STK078525
Synonyms: 4- (5- amino- 1,3- benzoxazol- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1nc2c(o1)ccc(c2)N

STK078526
Synonyms: 4,4'- [but- 2- yne- 1,4- diylbis(sulfanediyl- 1,3,4- oxadiazole- 5,2- diyl)]dipyridine
Smiles: n1ccc(cc1)c1nnc(o1)SCC#CCSc1nnc(o1)c1ccncc1

STK078527
Synonyms: N- (2,4- dinitrophenyl)butane- 1,4- diamine
Smiles: NCCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK078534
Synonyms: N- (4- chlorophenyl)- 4- oxo- 4- (pyrrolidin- 1- yl)butanamide
Smiles: O=C(Nc1ccc(cc1)Cl)CCC(=O)N1CCCC1

STK078566
Synonyms: 2- [(2,2- dimethylpropanoyl)oxy]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(C(C)(C)C)ON1C(=O)c2c(C1=O)cccc2

STK078573
Synonyms: 7- {4- [(4- chlorophenyl)carbonyl]piperazin- 1- yl}- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=O)c1ccc(cc1)Cl)c(c2)F

STK078596
Synonyms: 2- {[2- (morpholin- 4- yl)ethyl]carbamoyl}phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)NCCN1CCOCC1

STK078627
Synonyms: 2- (4- chlorophenyl)- 6- ethyl- 1,2,4- oxadiazinane- 3,5- dione
Smiles: CCC1ON(C(=O)NC1=O)c1ccc(cc1)Cl

STK078629
Synonyms: (2E)- 2- {[5- (2- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- N- phenylhydrazinecarbothioamide
Smiles: S=C(Nc1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-]

STK078636
Synonyms: 1- phenyl- 2- [4- (phenylamino)- 6- (piperidin- 1- yl)- 1,3,5- triazin- 2- yl]ethanone
Smiles: O=C(c1ccccc1)Cc1nc(Nc2ccccc2)nc(n1)N1CCCCC1

STK078653
Synonyms: 2- (2- fluoro- 4- hydroxyphenyl)- 5,7- dimethyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: Oc1ccc(c(c1)F)C1N2CC3(CN1CC(C2)(C3=O)C)C

STK078671
Synonyms: 3- {5- [(E)- {2- [(2,3- dimethylphenoxy)acetyl]hydrazinylidene}methyl]furan- 2- yl}benzoicacid
Smiles: O=C(COc1cccc(c1C)C)N/N=C/c1ccc(o1)c1cccc(c1)C(=O)O

STK078703
Synonyms: 8- [bis(2- hydroxyethyl)amino]- 3- methyl- 7- (2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OCCN(c1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C)CCO

STK078752
Synonyms: 6- {[(4- butoxyphenyl)acetyl]amino}hexanoicacid
Smiles: CCCCOc1ccc(cc1)CC(=O)NCCCCCC(=O)O

STK078755
Synonyms: 2- ({[4- (2,5- dimethoxyphenyl)- 5- methyl- 1,3- thiazol- 2- yl]amino}methyl)phenol
Smiles: COc1ccc(c(c1)c1nc(sc1C)NCc1ccccc1O)OC

STK078778
Synonyms: [(1,5- dimethyl- 3- oxo- 2- phenylpyrazolidin- 4- yl)(methyl)amino]methanesulfonate
Smiles: CN(C1C(C)N(N(C1=O)c1ccccc1)C)CS(=O)(=O)[O-]

STK078798
Synonyms: 3- (5,6,6a,11a- tetrahydro- 11H- benzo[a]carbazol- 11- yl)propanoicacid
Smiles: OC(=O)CCN1c2ccccc2C2C1c1ccccc1CC2

STK078801
Synonyms: (10Z)- 7- (4- fluorophenyl)- 10- (4- hydroxy- 3- iodo- 5- nitrobenzylidene)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: Fc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C/c1cc(I)c(c(c1)[N+](=O)[O-])O)/s3)c1c(CC2)cccc1

STK078816
Synonyms: 3- ethoxy- 4- phenoxybenzaldehyde
Smiles: CCOc1cc(C=O)ccc1Oc1ccccc1

STK078826
Synonyms: 2- {[4- (piperidin- 1- ylsulfonyl)phenyl]carbamoyl}benzoicacid
Smiles: O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK078832
Synonyms: 2- (4- methoxyphenyl)- N- (5- nitro- 1,3- thiazol- 2- yl)acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1ncc(s1)[N+](=O)[O-]

STK078833
Synonyms: 4- {2- [(3- methyl- 2,6- dioxo- 7- propyl- 2,3,6,7- tetrahydro- 1H- purin- 8- yl)sulfanyl]ethoxy}benzoicacid
Smiles: CCCn1c(SCCOc2ccc(cc2)C(=O)O)nc2c1c(=O)[nH]c(=O)n2C

STK078836
Synonyms: ethyl[6- amino- 5- cyano- 4- (thiophen- 2- yl)- 2,4- dihydropyrano[2,3- c]pyrazol- 3- yl]acetate
Smiles: CCOC(=O)Cc1[nH]nc2c1C(c1cccs1)C(=C(O2)N)C#N

STK078861
Synonyms: N- [3- (propan- 2- yloxy)propyl]- N'- (pyridin- 2- ylmethyl)butanediamide
Smiles: O=C(CCC(=O)NCc1ccccn1)NCCCOC(C)C

STK078907
Synonyms: 4- {(E)- [(2- methyl- 3- nitrophenyl)imino]methyl}phenol
Smiles: Oc1ccc(cc1)/C=N/c1cccc(c1C)[N+](=O)[O-]

STK078918
Synonyms: 1,1',1'',1'''- (oxydibenzene- 4,1,2- triyl)tetrakis(1H- tetrazole)
Smiles: n1nnn(c1)c1cc(ccc1n1cnnn1)Oc1ccc(c(c1)n1cnnn1)n1cnnn1

STK078919
Synonyms: 1- (4- benzylpiperidin- 1- yl)- 3- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)Cc1ccccc1

STK078931
Synonyms: indolo[2,1- b]quinazoline- 6,12- dione
Smiles: O=C1c2nc3ccccc3c(=O)n2c2c1cccc2

STK078978
Synonyms: ethyl5- {[(5- bromo- 2- methoxyphenyl)carbonyl]amino}- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc(Br)ccc1OC

STK078982
Synonyms: 2- (acetyloxy)benzoicacid- (1r,3r,5R,7R)- N- cyclohexyltricyclo[3.3.1.1~3,7~]decan- 2- amine(1:1)
Smiles: C1CCC(CC1)NC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3.CC(=O)Oc1ccccc1C(=O)O

STK079010
Synonyms: 4- [(naphthalen- 2- yloxy)acetyl]piperazine- 1- carbaldehyde
Smiles: O=CN1CCN(CC1)C(=O)COc1ccc2c(c1)cccc2

STK079029
Synonyms: N- {(E)- [4- (diethylamino)phenyl]methylidene}- 2- methyl- 4- nitroaniline
Smiles: CCN(c1ccc(cc1)/C=N/c1ccc(cc1C)[N+](=O)[O-])CC

STK079036
Synonyms: ethyl1- ({1- [(3- methylthiophen- 2- yl)methyl]piperidin- 4- yl}carbonyl)piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)Cc1sccc1C

STK079042
Synonyms: N- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1c(=O)[nH]c2c(c1O)cccc2

STK079052
Synonyms: 1- (4- methoxybenzyl)pyrrolidine
Smiles: COc1ccc(cc1)CN1CCCC1

STK079072
Synonyms: 4- benzyl- 7,7- dimethyl- 5- oxo- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidine- 1- thiolate
Smiles: O=c1c2c3CC(C)(C)OCc3sc2n2c(n1Cc1ccccc1)nnc2[S-]

STK079080
Synonyms: N- [2- cyano- 1- (3- nitrophenyl)- 1H- benzo[f]chromen- 3- yl]benzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2)Oc2c(C1c1cccc(c1)[N+](=O)[O-])c1ccccc1cc2

STK079085
Synonyms: 4- (cyclohexylamino)- 4- oxo- 3- (tetrahydrofuran- 2- yl)butanoicacid
Smiles: OC(=O)CC(C(=O)NC1CCCCC1)C1CCCO1

STK079104
Synonyms: 2- (2,4- dichlorophenoxy)- 1- [2- methyl- 4- (phenylamino)- 3,4- dihydroquinolin- 1(2H)- yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1C(C)CC(c2c1cccc2)Nc1ccccc1

STK079107
Synonyms: 3- cyclopropylbenzoicacid
Smiles: OC(=O)c1cccc(c1)C1CC1

STK079112
Synonyms: (2Z)- 2- acetyl- N- (1,3- benzothiazol- 2- yl)- 3- (piperidin- 1- yl)but- 2- enehydrazide
Smiles: CC(=O)/C(=C(/N1CCCCC1)\C)/C(=O)N(c1nc2c(s1)cccc2)N

STK079145
Synonyms: 1- (4- chlorobenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)Cl)(C)C

STK079166
Synonyms: N,N,2- trimethyl- 5- {4- [(1- methyl- 1H- benzimidazol- 2- yl)methoxy]phthalazin- 1- yl}benzenesulfonamide
Smiles: Cn1c(COc2nnc(c3c2cccc3)c2ccc(c(c2)S(=O)(=O)N(C)C)C)nc2c1cccc2

STK079235
Synonyms: (4Z)- 4- [2- (3- bromo- 4- methylphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc(c(c2)Br)C)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK079239
Synonyms: N- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)methionine
Smiles: CSCCC(C(=O)O)NC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK079252
Synonyms: 2- [(E)- (2,5- dimethylphenyl)diazenyl]- 4- ethylphenol
Smiles: CCc1ccc(c(c1)/N=N/c1cc(C)ccc1C)O

STK079263
Synonyms: 2,2,4- trimethyl- 6- (naphthalen- 1- ylmethoxy)- 1,2- dihydroquinoline
Smiles: CC1=CC(C)(C)Nc2c1cc(OCc1cccc3c1cccc3)cc2

STK079267
Synonyms: 1- (2- amino- 2- oxoethyl)- 4- aza- 1- azoniabicyclo[2.2.2]octane
Smiles: NC(=O)C[N+]12CCN(CC1)CC2

STK079299
Synonyms: 2- [4- amino- 6- (diethylamino)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: CCN(c1nc(nc(n1)N)CC(=O)c1ccccc1)CC

STK079307
Synonyms: 1- (1H- indol- 3- yl)hexan- 1- one
Smiles: CCCCCC(=O)c1c[nH]c2c1cccc2

STK079343
Synonyms: ethyl4- (2- {4- [(2,4- dimethylphenyl)amino]- 4- oxobutanoyl}hydrazinyl)- 4- oxobutanoate
Smiles: CCOC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1ccc(cc1C)C

STK079357
Synonyms: 2- [(4,6- dioxo- 5- phenyl- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (pyrimidin- 2- yl)acetamide
Smiles: O=C(Nc1ncccn1)CSC1=NC(=O)C(C(=O)N1)c1ccccc1

STK079358
Synonyms: N'- [1- (6- tert- butyl- 1,1- dimethyl- 2,3- dihydro- 1H- inden- 4- yl)ethyl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CN(CCCNC(c1cc(cc2c1CCC2(C)C)C(C)(C)C)C)C

STK079376
Synonyms: N- (2- bromo- 4- {[(1E,2E)- 3- (3- bromophenyl)prop- 2- en- 1- ylidene]amino}phenyl)benzamide
Smiles: Brc1cccc(c1)/C=C/C=N/c1ccc(c(c1)Br)NC(=O)c1ccccc1

STK079401
Synonyms: (2E)- 1- [2- methyl- 4- (prop- 2- en- 1- yl)- 4H- pyrazolo[1,5- a]benzimidazol- 3- yl]- 3- (2- nitrophenyl)prop- 2- en- 1- one
Smiles: C=CCn1c2c(C(=O)/C=C/c3ccccc3[N+](=O)[O-])c(nn2c2c1cccc2)C

STK079434
Synonyms: N- (4,5- dihydro- 1,3- thiazol- 2- yl)- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)NC1=NCCS1

STK079440
Synonyms: 3,4- dimethyl- 1- (3- methylbutyl)- 1H- pyrrole- 2,5- dione
Smiles: CC(CCN1C(=O)C(=C(C1=O)C)C)C

STK079442
Synonyms: N- (5- {2- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- 2- oxoethyl}- 1,3,4- thiadiazol- 2- yl)benzamide
Smiles: O=C(Cc1nnc(s1)NC(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O

STK079467
Synonyms: N- (3- {[(diphenylacetyl)carbamothioyl]amino}phenyl)benzamide
Smiles: S=C(NC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(c1)NC(=O)c1ccccc1

STK079472
Synonyms: 4- hydroxy- N- (5- methylpyridin- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK079475
Synonyms: (4Z)- 4- (3- chloro- 5- ethoxy- 4- hydroxybenzylidene)- 2- (3- chloro- 4- methylphenyl)- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)Cl)C)C)cc(c1O)Cl

STK079480
Synonyms: 6- methyl- 2- (piperazin- 1- yl)imidazo[2,1- b][1,3,4]thiadiazole
Smiles: Cc1nc2n(c1)nc(s2)N1CCNCC1

STK079504
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 6- nitro- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cc(ccc2o/c/1=N\c1nccs1)[N+](=O)[O-]

STK079520
Synonyms: 2- [(2Z)- 2- {1- [5- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]naphthalene- 1- sulfonicacid
Smiles: COc1ccc(cc1)c1cnc(s1)N1N=C(/C(=N/Nc2ccc3c(c2S(=O)(=O)O)cccc3)/C1=O)c1ccccc1

STK079525
Synonyms: 1,5- bis(3- methylphenyl)- 3,7- diphenyl- 1,5,3,7- diazadiphosphocane
Smiles: Cc1cccc(c1)N1CP(CN(CP(C1)c1ccccc1)c1cccc(c1)C)c1ccccc1

STK079531
Synonyms: 1- [4,6- bis(dimethylamino)- 1,3,5- triazin- 2- yl]- 3- ethyl- 2- iminoimidazolidin- 4- one
Smiles: CCN1C(=O)CN(C1=N)c1nc(nc(n1)N(C)C)N(C)C

STK079546
Synonyms: 5- [benzyl(methyl)amino]pyrimidine- 2,4(1H,3H)- dione
Smiles: CN(c1c[nH]c(=O)[nH]c1=O)Cc1ccccc1

STK079550
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl(4- fluorophenyl)methanone
Smiles: Fc1ccc(cc1)C(=O)N1CCc2c(C1)cccc2

STK079583
Synonyms: (2Z)- N- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2- (phenylimino)- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccccc2o/c/1=N\c1ccccc1

STK079590
Synonyms: 2,6- dimethyl- 3- (prop- 2- en- 1- yl)quinolin- 4- ol
Smiles: Cc1nc2ccc(cc2c(c1CC=C)O)C

STK079603
Synonyms: 3- chloro- N- (4,6- dimethylpyrimidin- 2- yl)- 1- benzothiophene- 2- carboxamide
Smiles: Cc1cc(C)nc(n1)NC(=O)c1sc2c(c1Cl)cccc2

STK079606
Synonyms: 2- cyano- 3- (4- hydroxy- 3- methoxyphenyl)- N- (3- methoxyphenyl)propanamide
Smiles: COc1cccc(c1)NC(=O)C(Cc1ccc(c(c1)OC)O)C#N

STK079615
Synonyms: (2E,3E)- 3- (2- hexanoylhydrazinylidene)- 2- (hydroxyimino)- N- phenylbutanamide
Smiles: CCCCCC(=O)N/N=C(/C(=N\O)/C(=O)Nc1ccccc1)\C

STK079626
Synonyms: (4Z)- 4- [2- (9,10- dioxo- 9,10- dihydroanthracen- 1- yl)hydrazinylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2cccc3c2C(=O)c2c(C3=O)cccc2)/C1=O)C

STK079635
Synonyms: 6- [(E)- (hydroxyimino)methyl]- N'- [(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]pyridine- 3- carbohydrazide
Smiles: O/N=C/c1ccc(cn1)C(=O)N/N=C/c1cccc(c1O)OC

STK079649
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (3,5- dimethylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1cc(C)cc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK079661
Synonyms: (2Z)- 6- bromo- 2- [(2- methoxyphenyl)imino]- N- (2- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1ccccc1/N=c/1\oc2ccc(cc2cc1C(=O)Nc1ccccc1C)Br

STK079672
Synonyms: 2- {[(2- methylpropanoyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(Nc1ccccc1C(=O)O)NC(=O)C(C)C

STK079678
Synonyms: N'- [(1E,4E)- 1,5- diphenylpenta- 1,4- dien- 3- ylidene]furan- 2- carbohydrazide
Smiles: O=C(c1ccco1)N/N=C(/C=C/c1ccccc1)\C=C\c1ccccc1

STK079691
Synonyms: {2- [(Z)- {(2E)- 2- [(4- ethoxyphenyl)imino]- 4- oxo- 3- propyl- 1,3- thiazolidin- 5- ylidene}methyl]phenoxy}aceticacid
Smiles: CCCN1/C(=N\c2ccc(cc2)OCC)/S/C(=C\c2ccccc2OCC(=O)O)/C1=O

STK079693
Synonyms: 4- (5- {(Z)- [(2Z)- 2- [(4- methylphenyl)imino]- 4- oxo- 3- (2- phenylethyl)- 1,3- thiazolidin- 5- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Cc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(o2)c2ccc(cc2)C(=O)O)/C(=O)N1CCc1ccccc1

STK079700
Synonyms: (6Z)- 2- heptyl- 6- (3- {2- [4- (hexyloxy)phenoxy]ethoxy}benzylidene)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCCCCCc1sc2=NC(=O)/C(=C\c3cccc(c3)OCCOc3ccc(cc3)OCCCCCC)/C(=N)n2n1

STK079742
Synonyms: 1- (2,4- dimethoxybenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC)(C)C

STK079768
Synonyms: N- (4- iodophenyl)- 3- methylbutanamide
Smiles: CC(CC(=O)Nc1ccc(cc1)I)C

STK079823
Synonyms: [1- (3,4- dimethoxybenzyl)piperidin- 4- yl](4- ethylpiperazin- 1- yl)methanone
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(c(c1)OC)OC

STK079824
Synonyms: 2- {[2- (3,4- dihydroxyphenyl)- 2- oxoethyl]sulfanyl}- N- (2,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSCC(=O)c1ccc(c(c1)O)O

STK079843
Synonyms: 1- [(2- methoxypropyl)sulfonyl]- 3- nitrobenzene
Smiles: COC(CS(=O)(=O)c1cccc(c1)[N+](=O)[O-])C

STK079845
Synonyms: 1- [3- cyano- 7- methyl- 5- oxo- 4- (pyridin- 3- yl)- 4H,5H- pyrano[4,3- b]pyran- 2- yl]- 3- (3,4- dichlorophenyl)urea
Smiles: N#CC1=C(NC(=O)Nc2ccc(c(c2)Cl)Cl)Oc2c(C1c1cccnc1)c(=O)oc(c2)C

STK079848
Synonyms: 4- methoxy- N- (pyridin- 3- yl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1cccnc1

STK079856
Synonyms: 2- {[7- (4- chlorobenzyl)- 3- methyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}butanoicacid
Smiles: CCC(C(=O)O)Sc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

STK079885
Synonyms: N- (5- chloropyridin- 2- yl)- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1ccc(cn1)Cl

STK079890
Synonyms: 2- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]pyridine- 3- carboxylicacid
Smiles: Brc1ccc(cc1)/C=N/Nc1ncccc1C(=O)O

STK079895
Synonyms: N- (4- ethoxyphenyl)- 2- [1- methyl- 5- oxo- 3- (2- phenylethyl)- 2- thioxoimidazolidin- 4- yl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CC1N(CCc2ccccc2)C(=S)N(C1=O)C

STK079984
Synonyms: 3- (5- phenyl- 1,3- oxazol- 2- yl)pyridine
Smiles: c1ccc(cc1)c1cnc(o1)c1cccnc1

STK079998
Synonyms: N- [2,6- dimethyl- 1- (phenylcarbonyl)- 1,2,3,4- tetrahydroquinolin- 4- yl]acetamide
Smiles: CC(=O)NC1CC(C)N(c2c1cc(C)cc2)C(=O)c1ccccc1

STK080018
Synonyms: 6- ({2- [4- methyl- 2- (propan- 2- yl)phenoxy]ethyl}sulfanyl)- 9H- purine
Smiles: Cc1ccc(c(c1)C(C)C)OCCSc1ncnc2c1nc[nH]2

STK080041
Synonyms: ethyl5- {[(2- amino- 2- iminoethyl)sulfanyl]methyl}furan- 2- carboxylatehydrochloride
Smiles: CCOC(=O)c1ccc(o1)CSCC(=N)N.Cl

STK080059
Synonyms: N- {(E)- [4- (dimethylamino)phenyl]methylidene}- 2- methoxy- 5- nitroaniline
Smiles: COc1ccc(cc1/N=C/c1ccc(cc1)N(C)C)[N+](=O)[O-]

STK080084
Synonyms: 2- [2- (pyridin- 3- yl)ethyl]pyridine
Smiles: c1ccc(nc1)CCc1cccnc1

STK080132
Synonyms: 2- (5- ethyl- 2- methyl- 1H- indol- 3- yl)- N- (2- phenylethyl)acetamide
Smiles: CCc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c([nH]2)C

STK080166
Synonyms: N,N- bis[2- (6- methylpyridin- 3- yl)ethyl]aniline
Smiles: Cc1ccc(cn1)CCN(c1ccccc1)CCc1ccc(nc1)C

STK080179
Synonyms: 5- (4- bromophenyl)- N- (2- propyl- 2H- tetrazol- 5- yl)furan- 2- carboxamide
Smiles: CCCn1nnc(n1)NC(=O)c1ccc(o1)c1ccc(cc1)Br

STK080186
Synonyms: (2E)- 3- [(2- methoxy- 4- nitrophenyl)amino]- 1- (4- nitrophenyl)but- 2- en- 1- one
Smiles: COc1cc(ccc1N/C(=C/C(=O)c1ccc(cc1)[N+](=O)[O-])/C)[N+](=O)[O-]

STK080220
Synonyms: 2- (5- bromo- 3- ethoxy- 2- hydroxyphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: CCOc1cc(Br)cc(c1O)C1N=C(O)c2c(N1)sc1c2CCCC1

STK080236
Synonyms: S- methyl(3- nitro- 1H- 1,2,4- triazol- 1- yl)ethanethioate
Smiles: [O-][N+](=O)c1nn(cn1)CC(=O)SC

STK080279
Synonyms: N- (4- methylpyridin- 2- yl)- 2- [(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]acetamide
Smiles: O=C(Nc1nccc(c1)C)CSc1nnnn1c1ccccc1

STK080286
Synonyms: 2- {[(4,6- dimethylpyrimidin- 2- yl)methyl]sulfanyl}- 4,6- bis{[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 1,3,5- triazine
Smiles: Cc1nc(SCc2nc(SCc3nc(C)cc(n3)C)nc(n2)CSc2nc(C)cc(n2)C)nc(c1)C

STK080307
Synonyms: 2- nitro- N'- [oxo(pyrrolidin- 1- yl)acetyl]benzohydrazide
Smiles: O=C(C(=O)N1CCCC1)NNC(=O)c1ccccc1[N+](=O)[O-]

STK080331
Synonyms: (2Z)- 6- chloro- N- (naphthalen- 1- yl)- 2- (phenylimino)- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc2c(c1)cc(/c(=N/c1ccccc1)/o2)C(=O)Nc1cccc2c1cccc2

STK080332
Synonyms: 1- {[(2E)- 1,1'- bi(cyclohexan)- 1'- en- 2- ylideneamino]oxy}ethanone
Smiles: CC(=O)O/N=C/1\CCCCC1C1=CCCCC1

STK080342
Synonyms: 1,3- dimethyl- 9- oxo- 9H- thioxanthen- 2- ylacetate
Smiles: CC(=O)Oc1c(C)cc2c(c1C)c(=O)c1c(s2)cccc1

STK080365
Synonyms: N'- [1- (4- fluorobenzyl)- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl]- 1H- indole- 2- carbohydrazide
Smiles: Fc1ccc(cc1)CN1C(NNC(=O)c2cc3c([nH]2)cccc3)C(=C(C1=O)C)C

STK080376
Synonyms: 1- ethyl- 3- (2- methoxy- 4- nitrophenyl)thiourea
Smiles: CCNC(=S)Nc1ccc(cc1OC)[N+](=O)[O-]

STK080422
Synonyms: (1,5,8- trimethyl- 2- oxabicyclo[2.2.2]oct- 4- yl)methylcyclohexylcarbamate
Smiles: O=C(NC1CCCCC1)OCC12COC(CC1C)(CC2C)C

STK080430
Synonyms: 2- chloro- 5- iodo- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]benzamide
Smiles: Cc1ccc(cc1)c1csc(n1)NC(=O)c1cc(I)ccc1Cl

STK080436
Synonyms: 3- cyclohexyl- 6,6- dimethyl- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: O=c1[nH]c2sc3c(c2c(=O)n1C1CCCCC1)CC(OC3)(C)C

STK080445
Synonyms: 3- [3- (4'- propylbiphenyl- 4- yl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: CCCc1ccc(cc1)c1ccc(cc1)c1noc(n1)c1cccnc1

STK080458
Synonyms: azepan- 1- yl(piperidin- 4- yl)methanone
Smiles: O=C(N1CCCCCC1)C1CCNCC1

STK080465
Synonyms: 2- [4- (acetylamino)phenoxy]- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)COc1ccc(cc1)NC(=O)C

STK080469
Synonyms: 5- chloro- 3- [2- (1,2- dihydroacenaphthylen- 5- yl)- 2- oxoethyl]- 3- hydroxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: Clc1ccc2c(c1)C(O)(CC(=O)c1ccc3c4c1cccc4CC3)C(=O)N2

STK080472
Synonyms: N- hydroxy- 4- nitro- N- phenylbenzamide
Smiles: ON(C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK080530
Synonyms: [3- (4- bromophenyl)oxiran- 2- yl](phenyl)methanone
Smiles: Brc1ccc(cc1)C1OC1C(=O)c1ccccc1

STK080538
Synonyms: N- (5- chloro- 4- methoxy- 6- methylpyrimidin- 2- yl)- N- methylacetamide
Smiles: COc1nc(nc(c1Cl)C)N(C(=O)C)C

STK080543
Synonyms: [(4,5- dibromofuran- 3- yl)methylidene]propanedinitrile
Smiles: N#CC(=Cc1coc(c1Br)Br)C#N

STK080553
Synonyms: 2- [(1- butyl- 1H- benzimidazol- 2- yl)sulfanyl]- 1- (thiophen- 2- yl)ethanone
Smiles: CCCCn1c(SCC(=O)c2cccs2)nc2c1cccc2

STK080560
Synonyms: [(3- cyano- 2- oxo- 2,3- dihydro- 1H- indol- 3- yl)(hydroxy)amino]acetate
Smiles: N#CC1(N(CC(=O)[O-])O)C(=O)Nc2c1cccc2

STK080570
Synonyms: (2Z,5Z)- 5- (4- chlorobenzylidene)- 2- [(4- methylphenyl)imino]- 3- propyl- 1,3- thiazolidin- 4- one
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2ccc(cc2)Cl)/C1=O

STK080586
Synonyms: methyl[(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]acetate
Smiles: COC(=O)COc1ccc2c(c1)oc(=O)cc2C

STK080589
Synonyms: N- {[2- (3- bromophenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}butanamide
Smiles: CCCC(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1cccc(c1)Br

STK080646
Synonyms: N- (2- methoxyethyl)- 5- phenylfuran- 2- carboxamide
Smiles: COCCNC(=O)c1ccc(o1)c1ccccc1

STK080661
Synonyms: pyridin- 3- yl4- bromobenzoate
Smiles: Brc1ccc(cc1)C(=O)Oc1cccnc1

STK080678
Synonyms: N- (2- phenylethyl)- N'- [3- (propan- 2- yloxy)propyl]butanediamide
Smiles: O=C(CCC(=O)NCCc1ccccc1)NCCCOC(C)C

STK080683
Synonyms: 2- (4- chlorophenoxy)- N- {[4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]carbamothioyl}acetamide
Smiles: O=C(NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2)COc1ccc(cc1)Cl

STK080685
Synonyms: ethyl(2Z)- 2- [4- hydroxy- 3- methoxy- 5- (prop- 2- en- 1- yl)benzylidene]- 7- methyl- 5- [4- (methylsulfanyl)phenyl]- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1cc(OC)c(c(c1)CC=C)O)/s2

STK080687
Synonyms: 1- (6- chlorohexyl)- 3- pyridin- 2- ylurea
Smiles: ClCCCCCCNC(=O)Nc1ccccn1

STK080697
Synonyms: dimethyl2- ({[4- (dimethylamino)phenyl]carbonyl}amino)benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)c1ccc(cc1)N(C)C)C(=O)OC

STK080706
Synonyms: 5- {[(2- phenoxyethyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- amine
Smiles: Nc1nnc(s1)CSCCOc1ccccc1

STK080712
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (propan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)C

STK080749
Synonyms: N- (propan- 2- yl)pent- 4- en- 2- amine
Smiles: C=CCC(NC(C)C)C

STK080755
Synonyms: 1- methylpiperidin- 3- yl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OC1CCCN(C1)C

STK080756
Synonyms: N'- [(E)- (2,4- dimethylphenyl)(phenyl)methylidene]- 2- (1H- indol- 1- yl)acetohydrazide
Smiles: Cc1ccc(c(c1)C)/C(=N/NC(=O)Cn1ccc2c1cccc2)/c1ccccc1

STK080761
Synonyms: 4- [(4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl)amino]benzenesulfonamide
Smiles: O=C1CC(C)(C)CC=C1Nc1ccc(cc1)S(=O)(=O)N

STK080774
Synonyms: 7,7- dimethyl- 1,6,7,9- tetrahydro- 5H- pyrano[4',3':4,5]thieno[2,3- d][1,2,4]triazolo[4,3- a]pyrimidin- 5- one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc2n1cn[nH]2

STK080780
Synonyms: N- (dibenzo[b,d]furan- 3- yl)- 2- (2,4,5- trichlorophenoxy)acetamide
Smiles: O=C(Nc1ccc2c(c1)oc1c2cccc1)COc1cc(Cl)c(cc1Cl)Cl

STK080804
Synonyms: 2- {[4- (2- methoxyphenyl)piperazin- 1- yl]carbonyl}phenylacetate
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1OC(=O)C

STK080810
Synonyms: N- {(1Z)- 1- [4- (dimethylamino)phenyl]- 3- [(2E)- 2- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}hydrazinyl]- 3- oxoprop- 1- en- 2- yl}benzamide
Smiles: CN(c1ccc(cc1)/C=C(/C(=O)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])\NC(=O)c1ccccc1)C

STK080825
Synonyms: N'- [(E)- {1- [2- (4- cyclohexylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1

STK080828
Synonyms: N- carbamimidoyl- 4- {[(E)- (2- ethoxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: CCOc1ccccc1/C=N/c1ccc(cc1)S(=O)(=O)NC(=N)N

STK080834
Synonyms: (3E)- 5- bromo- 3- [(2- {[(3E)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]amino}phenyl)imino]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Brc1ccc2c(c1)/C(=N\c1ccccc1/N=C\1/C(=O)Nc3c1cccc3)/C(=O)N2

STK080842
Synonyms: ethyl5- bromo- 3- {[(4- methylpiperazin- 1- yl)acetyl]amino}- 1- benzofuran- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1NC(=O)CN1CCN(CC1)C)cc(cc2)Br

STK080875
Synonyms: 5- (4- butoxybenzyl)- 6- methyl- N- pentyl- 2- phenylpyrimidin- 4- aminehydrochloride
Smiles: CCCCCNc1nc(nc(c1Cc1ccc(cc1)OCCCC)C)c1ccccc1.Cl

STK080884
Synonyms: (2E)- 3- [1- (1,3- benzodioxol- 5- yl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]- 2- cyano- N,N- dimethylprop- 2- enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/C(=O)N(C)C

STK080903
Synonyms: 2- chloro- 4- ({[(2- chloro- 5- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cc(I)ccc1Cl)Nc1ccc(c(c1)Cl)C(=O)O

STK080909
Synonyms: 2- (4- chlorophenyl)- N- [(2- methyl- 4- nitrophenyl)carbamothioyl]acetamide
Smiles: O=C(Cc1ccc(cc1)Cl)NC(=S)Nc1ccc(cc1C)[N+](=O)[O-]

STK080917
Synonyms: (2E)- N- {4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}- 3- (4- nitrophenyl)prop- 2- enamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)/C=C/c1ccc(cc1)[N+](=O)[O-]

STK080974
Synonyms: (3E)- N- (4- methylphenyl)- 3- [2- (tetrahydrofuran- 2- ylcarbonyl)hydrazinylidene]butanamide
Smiles: O=C(C/C(=N/NC(=O)C1CCCO1)/C)Nc1ccc(cc1)C

STK080987
Synonyms: 4- [(2- hydroxy- 4- methoxybenzyl)amino]- 1,5- dimethyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(c(c1)O)CNc1c(C)n(n(c1=O)c1ccccc1)C

STK081003
Synonyms: methyl3- [4- (benzyloxy)phenyl]- 3- {[2- (4- fluorobenzyl)- 3- oxo- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl]amino}propanoate
Smiles: COC(=O)CC(c1ccc(cc1)OCc1ccccc1)NC1N(Cc2ccc(cc2)F)C(=O)C2=C1CCCC2

STK081005
Synonyms: 2- [4- (benzylamino)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)Cc1nc(NCc2ccccc2)nc(n1)N1CCOCC1

STK081011
Synonyms: N- (4- chlorophenyl)- 2- methyl- 5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)benzenesulfonamide
Smiles: Clc1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)c1n[nH]c(=O)c2c1cccc2

STK081049
Synonyms: 6,6'- dimethyl- 2,2'- biquinoline- 4,4'- dicarboxylicacid
Smiles: Cc1ccc2c(c1)c(cc(n2)c1nc2ccc(cc2c(c1)C(=O)O)C)C(=O)O

STK081062
Synonyms: N- benzyl- N'- (2- nitrophenyl)butanediamide
Smiles: O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])NCc1ccccc1

STK081102
Synonyms: 3- fluoro- 4- methyl- N- [(E)- (2- methyl- 1H- indol- 3- yl)methylidene]aniline
Smiles: Cc1ccc(cc1F)/N=C/c1c(C)[nH]c2c1cccc2

STK081161
Synonyms: 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 8- [(2E)- 2- (2- methylpropylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/C(C)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK081171
Synonyms: (2E)- 2- cyano- 3- (1,3- dihydro- 2- benzofuran- 5- ylamino)prop- 2- enethioamide
Smiles: N#C/C(=C\Nc1ccc2c(c1)COC2)/C(=S)N

STK081199
Synonyms: (4E)- 5- methyl- 2- (4- nitrophenyl)- 4- [2- (4- phenyl- 1,3- thiazol- 2- yl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N/Nc1scc(n1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK081222
Synonyms: (5E)- 2- (benzylamino)- 5- {[5- (4- methylphenyl)furan- 2- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)c1ccc(o1)/C=C\1/SC(=NC1=O)NCc1ccccc1

STK081251
Synonyms: {2- [(4,7- dimethylquinazolin- 2- yl)amino]- 5- oxo- 4,5- dihydro- 1H- imidazol- 4- yl}aceticacid
Smiles: OC(=O)CC1N=C(NC1=O)Nc1nc(C)c2c(n1)cc(cc2)C

STK081282
Synonyms: 2- (hex- 1- yn- 1- yl)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- ylacetate
Smiles: CCCCC#CC1(OC(=O)C)CC2C(C1(C)CC2)(C)C

STK081292
Synonyms: 4- [(E)- (3- chloro- 2,6- dimethylphenyl)diazenyl]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(C(C1=O)/N=N/c1c(C)ccc(c1C)Cl)C

STK081305
Synonyms: N'- [(3E)- 5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (naphthalen- 2- ylamino)acetohydrazide(non- preferredname)
Smiles: O=C(CNc1ccc2c(c1)cccc2)N/N=C/1\c2cc(Br)ccc2N(C1=O)C

STK081306
Synonyms: methyl{[7,7- dimethyl- 5- oxo- 4- (phenylcarbonyl)- 4,5,6,9- tetrahydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CC(OC3)(C)C

STK081311
Synonyms: (1- methyl- 1H- benzimidazol- 2- yl)(naphthalen- 1- yl)methanone
Smiles: Cn1c2ccccc2nc1C(=O)c1cccc2c1cccc2

STK081416
Synonyms: (2E)- 3- (furan- 2- yl)- 1- (piperidin- 1- yl)prop- 2- en- 1- one
Smiles: O=C(N1CCCCC1)/C=C/c1ccco1

STK081424
Synonyms: 5- chloro- 2- methoxy- N- {[4- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]carbamothioyl}benzamide
Smiles: COc1ccc(cc1C(=O)NC(=S)Nc1ccc(cc1)c1nc2c(o1)cccn2)Cl

STK081456
Synonyms: potassium3- ({4- [(1E)- 3,3- dimethyltriaz- 1- en- 1- yl]phenyl}sulfonyl)- 1,3- thiazolidine- 2- carboxylate
Smiles: CN(/N=N/c1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)[O-])C.[K+]

STK081458
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)OC1CN2CCC1CC2

STK081492
Synonyms: N- (4- methoxybenzyl)- 1- [(5- methylfuran- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: COc1ccc(cc1)CNC(=O)C1CCN(CC1)Cc1ccc(o1)C

STK081506
Synonyms: 3,5- dichloro- 2- ({[(3- ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: CCOc1cccc(c1)C(=O)NC(=S)Nc1c(Cl)cc(cc1C(=O)O)Cl

STK081546
Synonyms: N- {4- [(2,6- dimethoxypyrimidin- 4- yl)sulfamoyl]phenyl}- 3,4- dimethoxybenzamide
Smiles: COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)OC)OC

STK081570
Synonyms: (5E)- 5- {[5- (4- nitrophenyl)furan- 2- yl]methylidene}- 2- thioxoimidazolidin- 4- one
Smiles: S=C1NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/N1

STK081578
Synonyms: (2E)- 3- (2- bromophenyl)- 1- (naphthalen- 2- yl)prop- 2- en- 1- one
Smiles: O=C(c1ccc2c(c1)cccc2)/C=C/c1ccccc1Br

STK081579
Synonyms: 5- [(1,2- dimethyl- 1H- indol- 3- yl)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2c(C)n(c3c2cccc3)C)C(=O)N1

STK081592
Synonyms: [1- (1,3- benzodioxol- 5- ylmethyl)piperidin- 4- yl](4- phenylpiperazin- 1- yl)methanone
Smiles: O=C(N1CCN(CC1)c1ccccc1)C1CCN(CC1)Cc1ccc2c(c1)OCO2

STK081617
Synonyms: 4- {(Z)- [(2Z)- 2- [(4- methylphenyl)imino]- 4- oxo- 3- (2- phenylethyl)- 1,3- thiazolidin- 5- ylidene]methyl}benzoicacid
Smiles: Cc1ccc(cc1)/N=C/1\S/C(=C\c2ccc(cc2)C(=O)O)/C(=O)N1CCc1ccccc1

STK081627
Synonyms: 6- bromo- 1- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- amine
Smiles: Brc1ccc2c(c1)c(N)c1c(n2)N(CC1)C

STK081636
Synonyms: N- (3- {[(1E,2E)- 3- (3- nitrophenyl)prop- 2- en- 1- ylidene]amino}phenyl)benzamide
Smiles: O=C(c1ccccc1)Nc1cccc(c1)/N=C/C=C/c1cccc(c1)[N+](=O)[O-]

STK081669
Synonyms: diethyl4- (3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}phenyl)- 2,6- dimethylpyridine- 3,5- dicarboxylate
Smiles: CCOC(=O)c1c(C)nc(c(c1c1cccc(c1)NC(=O)/C=C/c1ccc(c(c1)OC)OC)C(=O)OCC)C

STK081679
Synonyms: 8- bromo- 3- propyl- 2,3,3a,4,5,6- hexahydro- 1H- pyrazino[3,2,1- jk]carbazole
Smiles: CCCN1CCn2c3C1CCCc3c1c2ccc(c1)Br

STK081688
Synonyms: 5- (benzylsulfanyl)- 3,4- dimethyl- 1- (3- methylbutyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC(CCN1C(SCc2ccccc2)C(=C(C1=O)C)C)C

STK081695
Synonyms: 3- (2- methylprop- 2- en- 1- yl)- 2- [(4- nitrobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: CC(=C)Cn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK081697
Synonyms: 2- [(phenylcarbamoyl)amino]ethylphenylcarbamate
Smiles: O=C(Nc1ccccc1)NCCOC(=O)Nc1ccccc1

STK081715
Synonyms: N- {(E)- [2- (benzyloxy)phenyl]methylidene}naphthalen- 1- amine
Smiles: c1ccc(cc1)COc1ccccc1/C=N/c1cccc2c1cccc2

STK081719
Synonyms: (2E)- N- [3- (1H- imidazol- 1- yl)propyl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enamide
Smiles: COc1cc(/C=C/C(=O)NCCCn2cncc2)cc(c1OC)OC

STK081727
Synonyms: tert- butyl3- methyl- 5- phenyl- 1H- pyrazole- 1- carboxylate
Smiles: Cc1nn(c(c1)c1ccccc1)C(=O)OC(C)(C)C

STK081735
Synonyms: 6- chloro- 3- (4,5- dimethoxy- 2- nitrophenyl)- 2H- chromen- 2- one
Smiles: COc1cc(c2cc3cc(Cl)ccc3oc2=O)c(cc1OC)[N+](=O)[O-]

STK081736
Synonyms: [2- (morpholin- 4- yl)- 4- phenyl- 1,3- thiazol- 5- yl](phenyl)methanone
Smiles: O=C(c1sc(nc1c1ccccc1)N1CCOCC1)c1ccccc1

STK081761
Synonyms: 5- (3- methylphenyl)- 3- [4- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: Cc1cccc(c1)c1onc(n1)c1ccc(cc1)C(F)(F)F

STK081826
Synonyms: 4- hydroxy- 2- oxo- N'- [(E)- phenylmethylidene]- 1- (prop- 2- en- 1- yl)- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: C=CCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(c2c1cccc2)O

STK081842
Synonyms: ethyl2- [(1H- benzimidazol- 2- ylsulfanyl)acetyl]- 3- butyl- 2- methyl- 4,5- dioxotetrahydrofuran- 3- carboxylate(non- preferredname)
Smiles: CCCCC1(C(=O)OCC)C(=O)C(=O)OC1(C)C(=O)CSc1nc2c([nH]1)cccc2

STK081855
Synonyms: 5- [2- (benzylsulfanyl)phenyl]- 1,3,4- thiadiazol- 2- amine
Smiles: Nc1nnc(s1)c1ccccc1SCc1ccccc1

STK081867
Synonyms: 2- (biphenyl- 4- yl)- N- (3- methylpyridin- 2- yl)acetamide
Smiles: O=C(Nc1ncccc1C)Cc1ccc(cc1)c1ccccc1

STK081895
Synonyms: 4- {[4- (hydrazinylcarbonyl)benzyl]oxy}benzohydrazide
Smiles: NNC(=O)c1ccc(cc1)OCc1ccc(cc1)C(=O)NN

STK081909
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2)(C)C)C

STK081919
Synonyms: 3- benzyl- 7- (propan- 2- yl)- 2- sulfanyl- 4a,4b,5,6,7,8,8a,9a- octahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: O=C1C2C(SC3C2CCN(C3)C(C)C)N=C(N1Cc1ccccc1)S

STK081932
Synonyms: (1E)- N- hydroxy- 1- (3- phenyl- 1H- indol- 2- yl)ethanimine
Smiles: O/N=C(/c1[nH]c2c(c1c1ccccc1)cccc2)\C

STK081935
Synonyms: (2Z)- 6,8- dichloro- 2- (phenylimino)- N- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Clc1cc(Cl)c2c(c1)cc(/c(=N/c1ccccc1)/o2)C(=O)Nc1scc(n1)c1ccccc1

STK081960
Synonyms: methyl[6- bromo- 4- phenyl- 2- (3,4,5- trimethoxyphenyl)- 1,4- dihydroquinazolin- 3(2H)- yl]acetate
Smiles: COC(=O)CN1C(Nc2c(C1c1ccccc1)cc(cc2)Br)c1cc(OC)c(c(c1)OC)OC

STK081969
Synonyms: 4- [(E)- {[4- (azepan- 1- ylsulfonyl)phenyl]imino}methyl]phenol
Smiles: Oc1ccc(cc1)/C=N/c1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK081971
Synonyms: 2- [(4- tert- butylphenyl)carbonyl]- N- [3- (trifluoromethyl)phenyl]hydrazinecarbothioamide
Smiles: S=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)c1ccc(cc1)C(C)(C)C

STK081986
Synonyms: (2E)- N- benzyl- 3- {4- [2- (4- tert- butylphenoxy)ethoxy]- 3- methoxyphenyl}- 2- cyanoprop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCCOc1ccc(cc1)C(C)(C)C)/C(=O)NCc1ccccc1

STK081990
Synonyms: chloro(1,3- dimethyl- 1H- indol- 2- yl)mercury
Smiles: Cl[Hg]c1c(C)c2c(n1C)cccc2

STK081992
Synonyms: N- [(4- {[(4- chlorophenyl)sulfonyl]amino}phenyl)sulfonyl]acetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Cl

STK081995
Synonyms: tetrahydrofuran- 2- ylmethyl1- ethyl- 7- methyl- 4- oxo- 1,4- dihydro- 1,8- naphthyridine- 3- carboxylate
Smiles: CCn1cc(C(=O)OCC2CCCO2)c(=O)c2c1nc(C)cc2

STK082029
Synonyms: 4- hydroxy- 2- oxo- N- [2- (trifluoromethyl)phenyl]- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(=O)[nH]c2c(c1O)cccc2)Nc1ccccc1C(F)(F)F

STK082033
Synonyms: 1- (1H- benzotriazol- 1- yl)- 3,3- diphenylpropan- 1- one
Smiles: O=C(n1nnc2c1cccc2)CC(c1ccccc1)c1ccccc1

STK082044
Synonyms: 3,4- dimethyl- 1- (4- phenylbutan- 2- yl)- 5- (propylsulfanyl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CCCSC1C(=C(C(=O)N1C(CCc1ccccc1)C)C)C

STK082058
Synonyms: 4- (4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- ylamino)benzohydrazide
Smiles: NNC(=O)c1ccc(cc1)Nc1nc2c(s1)CCCC2

STK082072
Synonyms: N- butyl- 3,3- dimethyl- 3,4- dihydroacridin- 9- amine
Smiles: CCCCNc1c2C=CC(Cc2nc2c1cccc2)(C)C

STK082074
Synonyms: (5E)- 5- {4- [3- (3,5- dimethylphenoxy)propoxy]- 3- ethoxybenzylidene}- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1OCCCOc1cc(C)cc(c1)C)/C=C\1/SC(=S)N(C1=O)CC

STK082078
Synonyms: ethyl1- amino- 3- cyclohexyl- 3,4- dihydronaphthalene- 2- carboxylate
Smiles: CCOC(=O)C1=C(N)c2c(CC1C1CCCCC1)cccc2

STK082081
Synonyms: 2- (2,3- dihydro- 1,4- benzodioxin- 2- yl)- 4- phenyl- 1,3- thiazolidinehydrochloride
Smiles: c1ccc(cc1)C1CSC(N1)C1COc2c(O1)cccc2.Cl

STK082098
Synonyms: ethyl2- {[(4- butoxyphenyl)carbonyl]amino}- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK082134
Synonyms: 6,7,7- trimethyl- 2- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 1,6- naphthyridine- 3- carbonitrile
Smiles: N#Cc1cc2CN(C)C(Cc2nc1N1CCOCC1)(C)C

STK082137
Synonyms: 7- benzyl- 2- [(3- methylbutyl)sulfanyl]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CC(CCSc1nc(N)c2c(n1)sc1c2CCN(C1)Cc1ccccc1)C

STK082138
Synonyms: 8- [(2E)- 2- {4- [(4- nitrobenzyl)oxy]benzylidene}hydrazinyl]adenosine
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(N/N=C/c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])nc2c1ncnc2N

STK082197
Synonyms: 6'- amino- 1- benzyl- 3'- (methoxymethyl)- 2'H- spiro[piperidine- 4,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: COCc1[nH]nc2c1C1(CCN(CC1)Cc1ccccc1)C(=C(O2)N)C#N

STK082228
Synonyms: N- {[4- (acetylamino)phenyl]carbamothioyl}- 2- (4- chlorophenyl)acetamide
Smiles: O=C(Cc1ccc(cc1)Cl)NC(=S)Nc1ccc(cc1)NC(=O)C

STK082229
Synonyms: 2- (2- bromo- 4- methylphenoxy)- N'- [(2- nitrophenyl)sulfonyl]acetohydrazide
Smiles: O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])COc1ccc(cc1Br)C

STK082233
Synonyms: N'- [(E)- (2,4- dihydroxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1n[nH]cc1

STK082246
Synonyms: 4- methoxy- N'- [(1E)- 1- (6- nitro- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C

STK082250
Synonyms: N- (1,3- benzodioxol- 5- yl)- 1- (2,3- dimethylphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1cccc(c1C)C)Nc1ccc2c(c1)OCO2

STK082322
Synonyms: 3- (3,5- dimethylbenzyl)- 4- [(4- nitrophenyl)amino]- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1cc(C)cc(c1)C

STK082346
Synonyms: 1,1'- dihexadecyl- 4,4'- bipyridiniumdibromide
Smiles: CCCCCCCCCCCCCCCC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCCCCCCCCCCCCC.[Br-].[Br-]

STK082351
Synonyms: N- (3- chlorophenyl)- 5- {[(4- methylphenyl)carbonyl]amino}- 1- phenyl- 1H- pyrazole- 4- carboxamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)Nc1cccc(c1)Cl

STK082368
Synonyms: N- (3- cyano- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 2- yl)- 2- nitrobenzamide
Smiles: N#Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC(C)(C)OC2

STK082404
Synonyms: N- cyclohexyl- N- (2- hydroxyethyl)- 4- nitrobenzenesulfonamide
Smiles: OCCN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C1CCCCC1

STK082420
Synonyms: (2E)- 3- [4- (hexyloxy)phenyl]prop- 2- enoicacid
Smiles: CCCCCCOc1ccc(cc1)/C=C/C(=O)O

STK082423
Synonyms: (2E)- 1- (4- chlorophenyl)- 2- [1- (9H- fluoren- 2- yl)ethylidene]hydrazine
Smiles: Clc1ccc(cc1)N/N=C(/c1ccc2c(c1)Cc1c2cccc1)\C

STK082450
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 4- oxo- 4- (piperidin- 1- yl)butanoicacid
Smiles: O=C(N1CCCCC1)CC(n1nc(cc1C)C)C(=O)O

STK082508
Synonyms: 1- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)proline
Smiles: OC(=O)C1CCCN1C1=C(Cl)C(=O)c2c(C1=O)cccc2

STK082562
Synonyms: 3- (benzylsulfanyl)- 2- [(4- methylpyrimidin- 2- yl)oxy]- 3,3- diphenylpropanoicacid
Smiles: OC(=O)C(C(c1ccccc1)(c1ccccc1)SCc1ccccc1)Oc1nccc(n1)C

STK082569
Synonyms: 4- ({[(2- bromophenyl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: S=C(NC(=O)c1ccccc1Br)Nc1ccc(c(c1)Cl)C(=O)O

STK082591
Synonyms: (5Z)- 2- (2,6- dimethylmorpholin- 4- yl)- 5- (4- ethylbenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CC(C)OC(C1)C

STK082594
Synonyms: 5- (diphenylmethyl)- 3- [2- (naphthalen- 2- yl)- 2- oxoethyl]- 1,3,4- thiadiazol- 2(3H)- iminium
Smiles: O=C(c1ccc2c(c1)cccc2)Cn1nc(sc1=[NH2+])C(c1ccccc1)c1ccccc1

STK082610
Synonyms: N- {2- chloro- 5- [(4- chlorophenyl)sulfonyl]phenyl}- 2- hydroxy- 3,5- diiodobenzamide
Smiles: Clc1ccc(cc1)S(=O)(=O)c1ccc(c(c1)NC(=O)c1cc(I)cc(c1O)I)Cl

STK082613
Synonyms: methyl(2E)- 4- ({4- [(4,6- dimethylpyrimidin- 2- yl)sulfamoyl]phenyl}amino)- 4- oxobut- 2- enoate
Smiles: COC(=O)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK082630
Synonyms: 2,3,4,5- tetraphenylthiophene1,1- dioxide
Smiles: O=S1(=O)C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK082633
Synonyms: N- {(E)- [3- (benzyloxy)phenyl]methylidene}- 4- chloroaniline
Smiles: Clc1ccc(cc1)/N=C/c1cccc(c1)OCc1ccccc1

STK082652
Synonyms: N,N'- bis(4,5,6,7- tetrabromo- 1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)benzene- 1,3- dicarboxamide
Smiles: O=C(c1cccc(c1)C(=O)NN1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br)NN1C(=O)c2c(C1=O)c(Br)c(c(c2Br)Br)Br

STK082653
Synonyms: 1- (3- methyl- 1H- indol- 2- yl)ethanone
Smiles: CC(=O)c1[nH]c2c(c1C)cccc2

STK082666
Synonyms: 4- bromo- N- {4- [(4- methylpiperazin- 1- yl)carbonyl]- 1- phenyl- 1H- pyrazol- 5- yl}benzamide
Smiles: CN1CCN(CC1)C(=O)c1cnn(c1NC(=O)c1ccc(cc1)Br)c1ccccc1

STK082679
Synonyms: ethyl4- ({1- [(3,5- dimethoxyphenyl)carbonyl]piperidin- 4- yl}carbonyl)piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc(OC)cc(c1)OC

STK082684
Synonyms: 3- [(Z)- (3- benzyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: S=C1S/C(=C\C2C(=O)Nc3c2cccc3)/C(=O)N1Cc1ccccc1

STK082698
Synonyms: 3- methyl- 2- thioxo- 1,2,3,5,6,7- hexahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: S=c1[nH]c2sc3c(c2c(=O)n1C)CCC3

STK082702
Synonyms: N- [(3- hydroxypyridin- 2- yl)carbamothioyl]biphenyl- 4- carboxamide
Smiles: S=C(Nc1ncccc1O)NC(=O)c1ccc(cc1)c1ccccc1

STK082716
Synonyms: N- (3- {[(2- chlorophenyl)carbonyl]amino}phenyl)naphthalene- 1- carboxamide
Smiles: O=C(c1ccccc1Cl)Nc1cccc(c1)NC(=O)c1cccc2c1cccc2

STK082726
Synonyms: 1- (4- methoxy- 3- methylbenzyl)dihydropyrimidine- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1C)CN1CCC(=O)NC1=O

STK082728
Synonyms: 2- (2- bromo- 4- chlorophenoxy)- N'- [(E)- (5- nitrofuran- 2- yl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)Cl)N/N=C/c1ccc(o1)[N+](=O)[O-]

STK082765
Synonyms: (6Z)- 6- {3- bromo- 5- methoxy- 4- [3- (3- methylphenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK082788
Synonyms: 2- ({[1- (3,4- dimethoxyphenyl)cyclopentyl]methyl}amino)- 2- hydroxypropanenitrile
Smiles: N#CC(NCC1(CCCC1)c1ccc(c(c1)OC)OC)(O)C

STK082794
Synonyms: 1- (piperidin- 1- yl)propan- 2- yl4- bromobenzoate
Smiles: CC(OC(=O)c1ccc(cc1)Br)CN1CCCCC1

STK082799
Synonyms: N- [(2- {[(4- methylphenyl)carbonyl]amino}phenyl)carbonyl]- beta- alanine
Smiles: OC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)C

STK082813
Synonyms: (3E)- 3- [2- (3- phenylpropanoyl)hydrazinylidene]- N- (pyridin- 2- yl)butanamide
Smiles: O=C(CCc1ccccc1)N/N=C(/CC(=O)Nc1ccccn1)\C

STK082828
Synonyms: 2- amino- 5- bromo- 1- (2- ethoxy- 2- oxoethyl)pyridinium
Smiles: CCOC(=O)C[n+]1cc(Br)ccc1N

STK082830
Synonyms: N- (3- chlorophenyl)- 4- hydroxy- 2- oxo- 1- (prop- 2- en- 1- yl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: C=CCn1c(=O)c(C(=O)Nc2cccc(c2)Cl)c(c2c1cccc2)O

STK082854
Synonyms: N- (2- amino- 2- oxoethyl)- N'- (4- chlorophenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)Cl)CCC(=O)NCC(=O)N

STK082868
Synonyms: 2- {[(2- ethylphenyl)amino]methylidene}- 5- phenylcyclohexane- 1,3- dione
Smiles: CCc1ccccc1N/C=C/1\C(=O)CC(CC1=O)c1ccccc1

STK082895
Synonyms: 2- (biphenyl- 4- yl)- 5- [(E)- 2- phenylethenyl]- 1,3,4- oxadiazole
Smiles: c1ccc(cc1)/C=C/c1nnc(o1)c1ccc(cc1)c1ccccc1

STK082913
Synonyms: methyl5- hydroxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: COC(=O)c1c(C)n(c2c1cc(O)cc2)C

STK082918
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (3,4- dimethylphenoxy)ethoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK082945
Synonyms: 2- [(6- amino- 4- oxo- 1- phenyl- 1,4- dihydropyrimidin- 2- yl)sulfanyl]butanoicacid
Smiles: CCC(C(=O)O)Sc1nc(=O)cc(n1c1ccccc1)N

STK082949
Synonyms: 2- [1- (4- benzylpiperazin- 1- yl)- 1- oxopropan- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)C)N1CCN(CC1)Cc1ccccc1

STK082952
Synonyms: 2,4- dichloro- N- [(4E)- 4- (4- methoxybenzylidene)- 5- oxo- 2- phenyl- 4,5- dihydro- 1H- imidazol- 1- yl]benzamide
Smiles: COc1ccc(cc1)/C=C\1/N=C(N(C1=O)NC(=O)c1ccc(cc1Cl)Cl)c1ccccc1

STK082981
Synonyms: 4- (3- cyclohexyl- 1,2,4- oxadiazol- 5- yl)pyridine
Smiles: C1CCC(CC1)c1noc(n1)c1ccncc1

STK082997
Synonyms: 4- hydroxy- 9- methyl- 11- (thiophen- 2- yl)- 7,8,9,10- tetrahydropyrido[2',3':4,5]thieno[2,3- b][1,6]naphthyridin- 2(1H)- one
Smiles: CN1CCc2c(C1)c(c1cccs1)c1c(n2)sc2c1[nH]c(=O)cc2O

STK083007
Synonyms: 4- (2- methylbutoxy)benzoicacid
Smiles: CCC(COc1ccc(cc1)C(=O)O)C

STK083031
Synonyms: N- [(2- chlorophenyl)sulfonyl]- 1H- indole- 3- carboxamide
Smiles: O=C(c1c[nH]c2c1cccc2)NS(=O)(=O)c1ccccc1Cl

STK083039
Synonyms: (5- chloro- 2- {[(E)- (4- methylphenyl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)/N=C/c1ccc(cc1)C

STK083047
Synonyms: 2- (1H- indol- 1- yl)- N- (2- nitrophenyl)acetamide
Smiles: O=C(Nc1ccccc1[N+](=O)[O-])Cn1ccc2c1cccc2

STK083066
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 8- [(2E)- 2- (1- phenylethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK083073
Synonyms: N,N- diethyl- 2- {[hydroxy(diphenyl)acetyl]oxy}- N- (methoxymethyl)ethanaminium
Smiles: COC[N+](CCOC(=O)C(c1ccccc1)(c1ccccc1)O)(CC)CC

STK083125
Synonyms: 1- acetyl- N- (4- chlorophenyl)- 2,3- dihydro- 1H- indole- 5- sulfonamide
Smiles: Clc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C

STK083136
Synonyms: 4- {[1- (3,4- dichlorophenyl)- 3- methoxy- 3- oxopropyl]amino}- 4- oxobutanoicacid
Smiles: COC(=O)CC(c1ccc(c(c1)Cl)Cl)NC(=O)CCC(=O)O

STK083201
Synonyms: (2- bromophenyl)[5- (2- hydroxyphenyl)- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1Br)c1ccccc1

STK083209
Synonyms: 2- [(2- hydroxy- 4,4- dimethyl- 6- oxocyclohex- 1- en- 1- yl)(2- methyl- 1H- indol- 3- yl)methyl]- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: O=C1CC(C)(C)CC(=O)C1C(c1c(C)[nH]c2c1cccc2)C1=C(O)CC(CC1=O)(C)C

STK083214
Synonyms: (6Z)- 6- ({1- [2- (4- cyclohexylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (propan- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(C)C

STK083221
Synonyms: 2,2'- (1,3,4- oxadiazole- 2,5- diyl)bis(1- aminoanthracene- 9,10- dione)
Smiles: Nc1c(ccc2c1C(=O)c1ccccc1C2=O)c1nnc(o1)c1ccc2c(c1N)C(=O)c1c(C2=O)cccc1

STK083243
Synonyms: N'- [(1E)- 1- (2,4- dihydroxyphenyl)ethylidene]- 2- methylfuran- 3- carbohydrazide
Smiles: Oc1ccc(c(c1)O)/C(=N/NC(=O)c1ccoc1C)/C

STK083270
Synonyms: 2,2'- piperazine- 1,4- diylbis[4- (piperidin- 1- yl)- 6- (2,2,2- trifluoroethoxy)- 1,3,5- triazine]
Smiles: FC(COc1nc(nc(n1)N1CCCCC1)N1CCN(CC1)c1nc(OCC(F)(F)F)nc(n1)N1CCCCC1)(F)F

STK083271
Synonyms: (4E)- 5- methyl- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 4- [2- (3- nitrophenyl)hydrazinylidene]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cccc(c2)[N+](=O)[O-])/C1=O)C

STK083282
Synonyms: 2- (2- phenylethyl)- 4,5,6,7- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CCc2ccccc2)C(=O)C2=C1CCCC2

STK083293
Synonyms: N- [(2,8- dimethyl- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazin- 3- yl)methyl]- N- ethylethanamine
Smiles: CCN(Cc1c(C)cc2n1CCn1c2ccc1C)CC

STK083294
Synonyms: 5,5'- (iminodimethanediyl)difuran- 2- carboxylicacid
Smiles: OC(=O)c1ccc(o1)CNCc1ccc(o1)C(=O)O

STK083301
Synonyms: N- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]butanamide
Smiles: CCOCCc1nnc(s1)NC(=O)CCC

STK083334
Synonyms: N- (prop- 2- en- 1- yl)- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: C=CCNC(=O)C1CCN(CC1)Cc1cccnc1

STK083354
Synonyms: N- (biphenyl- 4- yl)cyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1ccc(cc1)c1ccccc1

STK083361
Synonyms: N'- [(E)- {3- chloro- 5- methoxy- 4- [3- (4- methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1ccc(cc1)OCCCOc1c(Cl)cc(cc1OC)/C=N/NC(=O)C

STK083367
Synonyms: N- [(1E,2E)- 3- (4- chlorophenyl)prop- 2- en- 1- ylidene]- 3- (5- methyl- 1,3- benzoxazol- 2- yl)aniline
Smiles: Clc1ccc(cc1)/C=C/C=N/c1cccc(c1)c1nc2c(o1)ccc(c2)C

STK083370
Synonyms: N- (4- {[(1- methyl- 1H- imidazol- 2- yl)sulfanyl]acetyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)C(=O)CSc1nccn1C

STK083387
Synonyms: N- [3- (phenylcarbamoyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]pyridine- 3- carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1cccnc1)Nc1ccccc1

STK083416
Synonyms: 6- chloro- 3- (4- methylpiperidin- 1- yl)- 4- phenylquinolin- 2(1H)- one
Smiles: CC1CCN(CC1)c1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK083417
Synonyms: 2- (4- methoxyphenyl)- 1,3,4- oxadiazole
Smiles: COc1ccc(cc1)c1nnco1

STK083426
Synonyms: (2E)- 2- [(1- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethyl}- 2- methyl- 1H- indol- 3- yl)methylidene]hydrazinecarboxamide
Smiles: C=CCc1ccc(c(c1)OC)OCCn1c2ccccc2c(c1C)/C=N/NC(=O)N

STK083444
Synonyms: N- [3- (propan- 2- yloxy)propyl]pyridine- 4- carboxamide
Smiles: CC(OCCCNC(=O)c1ccncc1)C

STK083446
Synonyms: (5Z)- 1- benzyl- 5- ({1- [2- (2,4- dichlorophenoxy)ethyl]- 2,5- dimethyl- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Clc1ccc(c(c1)Cl)OCCn1c(C)c(c2c1ccc(c2)C)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1

STK083457
Synonyms: (4E)- 1- phenyl- 4- (3- {2- [4- (2- phenylpropan- 2- yl)phenoxy]ethoxy}benzylidene)pyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1cccc(c1)OCCOc1ccc(cc1)C(c1ccccc1)(C)C)c1ccccc1

STK083468
Synonyms: 5,7- diphenyl[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)c1nc2ncnn2c(c1)c1ccccc1

STK083475
Synonyms: [3- (morpholin- 4- yl)propane- 1,2- diyl]bis(phosphonicacid)
Smiles: OP(=O)(C(CP(=O)(O)O)CN1CCOCC1)O

STK083482
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- (octan- 2- yl)butanediamide
Smiles: CCCCCCC(NC(=O)CCC(=O)NCCC1=CCCCC1)C

STK083554
Synonyms: N- [(E)- (2,5- dimethoxyphenyl)methylidene]- 1H- benzimidazol- 2- amine
Smiles: COc1ccc(c(c1)/C=N/c1nc2c([nH]1)cccc2)OC

STK083571
Synonyms: (5Z)- 3- benzyl- 5- [(5- methyl- 1H- indol- 3- yl)methylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Cc1ccc2c(c1)c(c[nH]2)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK083579
Synonyms: (2Z)- 6- bromo- N- (4- methoxyphenyl)- 2- [(2- methoxyphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2cc(Br)ccc2o/c/1=N\c1ccccc1OC

STK083582
Synonyms: (2Z)- 4- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: COc1cc(CCNC(=O)/C(=C(\C(=O)O)/C)/C)ccc1OC

STK083612
Synonyms: N- [2- (diethylamino)ethyl]- 4- (furan- 2- yl)benzamide
Smiles: CCN(CCNC(=O)c1ccc(cc1)c1ccco1)CC

STK083634
Synonyms: 2- {[1- (2- bromophenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccccc1Br)NC(=O)C1CCCCC1C(=O)O

STK083667
Synonyms: (2Z)- 3- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]- 2- (1,3- thiazol- 2- ylimino)- 2H- chromen- 7- ol
Smiles: Brc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2o/c/1=N\c1nccs1)O

STK083669
Synonyms: N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N'- (pyridin- 3- yl)pentanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCCC(=O)Nc1cccnc1)OC

STK083670
Synonyms: 3- hydroxy- 1,5- dimethyl- 3- (2- oxopropyl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: CC(=O)CC1(O)c2cc(C)ccc2N(C1=O)C

STK083673
Synonyms: 1- (4- chlorophenyl)- 3- (2- methyl- 4- nitrophenyl)urea
Smiles: O=C(Nc1ccc(cc1C)[N+](=O)[O-])Nc1ccc(cc1)Cl

STK083677
Synonyms: tetra- tert- butyl2,2'- [6- (ethylamino)- 1,3,5- triazine- 2,4- diyl]bis(nitropropanedioate)
Smiles: CCNc1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-]

STK083693
Synonyms: {[2- (morpholin- 4- yl)cyclohex- 1- en- 1- yl]methylidene}propanedinitrile
Smiles: N#CC(=CC1=C(CCCC1)N1CCOCC1)C#N

STK083698
Synonyms: 2,5,6- trichloro- 4- [(3- nitrophenyl)amino]pyridine- 3- carbonitrile
Smiles: N#Cc1c(Cl)nc(c(c1Nc1cccc(c1)[N+](=O)[O-])Cl)Cl

STK083715
Synonyms: ethyl2- {[(2E)- 3- (4- nitrophenyl)prop- 2- enoyl]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

STK083722
Synonyms: 1,3- dicyclohexyl- 2- hydroxyguanidine
Smiles: ON=C(NC1CCCCC1)NC1CCCCC1

STK083760
Synonyms: 5- (3,5- diphenyl- 1H- pyrazol- 1- yl)- 2- phenoxybenzenesulfonicacid
Smiles: OS(=O)(=O)c1cc(ccc1Oc1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1

STK083775
Synonyms: 5- nitro- 8- [4- (phenylsulfonyl)piperazin- 1- yl]quinoline
Smiles: [O-][N+](=O)c1ccc(c2c1cccn2)N1CCN(CC1)S(=O)(=O)c1ccccc1

STK083789
Synonyms: 1- (4- methoxyphenyl)- 4- (2- methyl- 4- oxopentan- 2- yl)- 1H- tetrazol- 4- ium
Smiles: COc1ccc(cc1)n1nn[n+](c1)C(CC(=O)C)(C)C

STK083805
Synonyms: 1- [3- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]propan- 1- one
Smiles: CCC(=O)N1CCC(=N1)c1ccc(cc1)OC

STK083808
Synonyms: N- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: CCOCCc1nnc(s1)NC(=O)c1ccccc1

STK083819
Synonyms: N- (4- methylpyridin- 2- yl)- N- (quinolin- 4- ylcarbonyl)quinoline- 4- carboxamide
Smiles: Cc1ccnc(c1)N(C(=O)c1ccnc2c1cccc2)C(=O)c1ccnc2c1cccc2

STK083821
Synonyms: 2- (phenylsulfonyl)- 3- (trifluoromethyl)- 2,3,3a,4,5,6,7,8- octahydrocyclohepta[c]pyrazol- 3- ol
Smiles: O=S(=O)(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccccc1

STK083832
Synonyms: 2- (4- methylphenoxy)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide
Smiles: O=C(NN=C1C(=O)NC(=O)NC1=O)COc1ccc(cc1)C

STK083836
Synonyms: 5- (4- butylcyclohexyl)- 2- {4- [(difluoromethyl)sulfanyl]phenyl}pyrimidine
Smiles: CCCCC1CCC(CC1)c1cnc(nc1)c1ccc(cc1)SC(F)F

STK083866
Synonyms: 2- chloro- 4- ({[(3,4- dichlorophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)Cl)C(=O)O

STK083867
Synonyms: 1- (4- fluorophenyl)- 3- {4- [(3- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK083883
Synonyms: N- {2,5- dimethoxy- 4- [(phenylcarbonyl)amino]phenyl}- N'- propylbutanediamide
Smiles: CCCNC(=O)CCC(=O)Nc1cc(OC)c(cc1OC)NC(=O)c1ccccc1

STK083884
Synonyms: N~2~- [2- (3,4- dimethoxyphenyl)ethyl]- N- (2- ethyl- 3- methylquinolin- 4- yl)- N~2~- methylglycinamide
Smiles: COc1cc(CCN(CC(=O)Nc2c(C)c(CC)nc3c2cccc3)C)ccc1OC

STK083888
Synonyms: N- (3- butoxypropyl)pyridine- 4- carboxamide
Smiles: CCCCOCCCNC(=O)c1ccncc1

STK083917
Synonyms: 1- (4- tert- butylphenyl)- 3- (diethylamino)propan- 1- one
Smiles: CCN(CCC(=O)c1ccc(cc1)C(C)(C)C)CC

STK083923
Synonyms: 2,2,2- trichloro- N- [4- (pyrimidin- 2- ylsulfamoyl)phenyl]acetamide
Smiles: O=C(C(Cl)(Cl)Cl)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

STK083943
Synonyms: 2- [(3s,5s,7s)- tricyclo[3.3.1.1~3,7~]dec- 1- ylamino]ethyl(4- chlorophenoxy)acetate
Smiles: O=C(COc1ccc(cc1)Cl)OCCNC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3

STK083966
Synonyms: ethyl2- ({[(4- ethoxyphenyl)carbonyl]carbamothioyl}amino)- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: CCOc1ccc(cc1)C(=O)NC(=S)Nc1nc(c(s1)C(=O)OCC)C

STK083980
Synonyms: N- (naphthalen- 2- yl)- 2- (3- oxo- 1,2,3,4- tetrahydroquinoxalin- 2- yl)acetamide
Smiles: O=C(CC1Nc2ccccc2NC1=O)Nc1ccc2c(c1)cccc2

STK084027
Synonyms: 3- {[(E)- (5- methylfuran- 2- yl)methylidene]amino}phenol
Smiles: Oc1cccc(c1)/N=C/c1ccc(o1)C

STK084034
Synonyms: 2- methyl- N'- pentanoylbenzohydrazide
Smiles: CCCCC(=O)NNC(=O)c1ccccc1C

STK084051
Synonyms: N- tert- butyl- N- (4- chlorobenzyl)- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N(C(C)(C)C)Cc1ccc(cc1)Cl

STK084072
Synonyms: 4- chloro- N- {4- [(5- methyl- 1,2- oxazol- 3- yl)sulfamoyl]phenyl}benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C

STK084075
Synonyms: 3- (2- methyl- 4- oxopentan- 2- yl)- 1- phenyl- 1H- tetrazol- 3- ium
Smiles: CC(=O)CC([n+]1ncn(n1)c1ccccc1)(C)C

STK084088
Synonyms: methyl4- [(5- formylthiophen- 3- yl)methoxy]benzoate
Smiles: COC(=O)c1ccc(cc1)OCc1csc(c1)C=O

STK084089
Synonyms: (1Z)- 2- (4- chlorophenyl)- N'- [(furan- 2- ylcarbonyl)oxy]ethanimidamide
Smiles: Clc1ccc(cc1)C/C(=N/OC(=O)c1ccco1)/N

STK084106
Synonyms: ethyl[(3- carbamoyl- 4,6- dimethylpyridin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(C)cc(c1C(=O)N)C

STK084119
Synonyms: 3- (2- methoxyphenyl)- 6- (3- nitrophenyl)- 3,4- dihydropyrimidin- 2(1H)- one
Smiles: COc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+](=O)[O-]

STK084141
Synonyms: 4- chloro- N- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: CCOCCc1nnc(s1)NC(=O)c1ccc(cc1)Cl

STK084143
Synonyms: 7- (diethylamino)- 3- (4- methyl- 1,3- thiazol- 2- yl)- 2H- chromen- 2- one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1scc(n1)C)CC

STK084145
Synonyms: 3,6- diamino- 2- [(4- chlorophenyl)carbonyl]- 4- (propan- 2- yl)selenopheno[2,3- b]pyridine- 5- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C(C)C)c(N)c([se]2)C(=O)c1ccc(cc1)Cl

STK084153
Synonyms: 2- (1H- indol- 1- yl)- N'- [(1E)- 1- phenylbutylidene]acetohydrazide
Smiles: CCC/C(=N\NC(=O)Cn1ccc2c1cccc2)/c1ccccc1

STK084169
Synonyms: 4- amino- N- (5- chloro- 4- methoxy- 6- methylpyrimidin- 2- yl)benzenesulfonamide
Smiles: COc1nc(nc(c1Cl)C)NS(=O)(=O)c1ccc(cc1)N

STK084171
Synonyms: N- (2,3- dimethylcyclohexyl)pyridine- 4- carboxamide
Smiles: CC1C(C)CCCC1NC(=O)c1ccncc1

STK084201
Synonyms: N- [1- (4- ethoxyphenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- (4- sulfamoylbenzyl)propanamide
Smiles: CCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)CC)Cc1ccc(cc1)S(=O)(=O)N

STK084203
Synonyms: 2- [2- (5,6- dimethyl- 1H- benzimidazol- 1- yl)- 2- oxoethyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: Cc1cc2ncn(c2cc1C)C(=O)CN1C(=O)c2c(C1=O)cccc2

STK084215
Synonyms: N- (4,6- dimethylpyrimidin- 2- yl)- 7- methoxy- 4- methylquinazolin- 2- amine
Smiles: COc1ccc2c(c1)nc(nc2C)Nc1nc(C)cc(n1)C

STK084276
Synonyms: N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]- 10H- phenothiazine- 10- carboxamide
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK084279
Synonyms: N'- [(E)- (4- chlorophenyl)(4- hydroxyphenyl)methylidene]pyridine- 2- carbohydrazide
Smiles: Oc1ccc(cc1)/C(=N\NC(=O)c1ccccn1)/c1ccc(cc1)Cl

STK084282
Synonyms: N- (1- methoxypropan- 2- yl)- 1- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccnc1)C

STK084285
Synonyms: 1- (biphenyl- 4- yl)propan- 1- one
Smiles: CCC(=O)c1ccc(cc1)c1ccccc1

STK084298
Synonyms: 1- [ethoxy(oxo)acetyl]- 2,2,4- trimethyl- 1,2- dihydroquinolin- 6- ylethylethanedioate
Smiles: CCOC(=O)C(=O)Oc1ccc2c(c1)C(=CC(N2C(=O)C(=O)OCC)(C)C)C

STK084311
Synonyms: 2- methyl- N- [(E)- (4- methylphenyl)methylidene]- 4- nitroaniline
Smiles: Cc1ccc(cc1)/C=N/c1ccc(cc1C)[N+](=O)[O-]

STK084343
Synonyms: 4- chloro- N- (2- hydroxy- 4,5- dimethylphenyl)benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1cc(C)c(cc1O)C

STK084360
Synonyms: decane- 1,10- diylbis(phenylcarbamate)
Smiles: O=C(Nc1ccccc1)OCCCCCCCCCCOC(=O)Nc1ccccc1

STK084376
Synonyms: 2- methylpropyl[5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2- yl]carbamate
Smiles: COc1ccc(cc1OC)c1nnc(s1)NC(=O)OCC(C)C

STK084378
Synonyms: N- [4- (benzyloxy)phenyl]- N'- (furan- 2- ylmethyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CCC(=O)NCc1ccco1

STK084379
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- 4- [2- (1H- indol- 1- ylacetyl)hydrazinyl]- 4- oxobutanamide
Smiles: CCn1c2ccccc2c2c1ccc(c2)NC(=O)CCC(=O)NNC(=O)Cn1ccc2c1cccc2

STK084388
Synonyms: ethyl4- {[(3E)- 3- {2- [(1- hydroxynaphthalen- 2- yl)carbonyl]hydrazinylidene}butanoyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C/C(=N/NC(=O)c1ccc2c(c1O)cccc2)/C

STK084397
Synonyms: 4- (2,3- dihydro- 1H- perimidin- 2- yl)- N,N- diethylaniline
Smiles: CCN(c1ccc(cc1)C1Nc2cccc3c2c(N1)ccc3)CC

STK084405
Synonyms: 2- (3,5- dimethylphenoxy)- 1- [5- (heptafluoropropyl)- 5- hydroxy- 3- phenyl- 4,5- dihydro- 1H- pyrazol- 1- yl]ethanone
Smiles: Cc1cc(OCC(=O)N2N=C(CC2(O)C(C(C(F)(F)F)(F)F)(F)F)c2ccccc2)cc(c1)C

STK084409
Synonyms: (1E,2E)- N- hydroxy- 2- phenyl- 2- [2- (quinolin- 2- yl)hydrazinylidene]ethanimine
Smiles: O/N=C/C(=N/Nc1ccc2c(n1)cccc2)/c1ccccc1

STK084428
Synonyms: 1- (5- chloro- 2- methylphenyl)- 3- [4- (3- methoxyphenyl)piperazin- 1- yl]pyrrolidine- 2,5- dione
Smiles: COc1cccc(c1)N1CCN(CC1)C1CC(=O)N(C1=O)c1cc(Cl)ccc1C

STK084432
Synonyms: ethyl3- {2- [(4- hydroxy- 2- oxo- 1- propyl- 1,2- dihydroquinolin- 3- yl)carbonyl]hydrazinyl}- 3- oxopropanoate
Smiles: CCOC(=O)CC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)CCC

STK084443
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)benzamide
Smiles: COc1ccc(cc1Cl)NC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2

STK084444
Synonyms: N- {[4- (propanoylamino)phenyl]carbamothioyl}benzamide
Smiles: CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccccc1

STK084451
Synonyms: 4- amino- N- cyclohexyl- N- [(2,4,6- trimethylcyclohex- 3- en- 1- yl)methyl]benzenesulfonamide
Smiles: CC1=CC(C(C(C1)C)CN(S(=O)(=O)c1ccc(cc1)N)C1CCCCC1)C

STK084452
Synonyms: N- (2- amino- 2- oxoethyl)- N'- [2- (3,4- dimethoxyphenyl)ethyl]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)NCC(=O)N)ccc1OC

STK084474
Synonyms: 1- methyl- 2,3,4,5- tetrahydro- 1H- azepino[2,3- b]quinolin- 6- amine
Smiles: CN1CCCCc2c1nc1ccccc1c2N

STK084483
Synonyms: 3- hydroxy- 2- (1,2,3,4- tetrahydronaphthalen- 1- yl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: O=C1C2=C(C(N1C1CCCc3c1cccc3)O)CCCC2

STK084485
Synonyms: 2- [(Z)- 2- (1H- benzimidazol- 2- yl)- 2- phenylethenyl]- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=C(\c1nc2c([nH]1)cccc2)/c1ccccc1)[N+](=O)[O-]

STK084494
Synonyms: N'- butanoyl- 3- iodo- 4- methoxybenzohydrazide
Smiles: CCCC(=O)NNC(=O)c1ccc(c(c1)I)OC

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