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

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STK024441
Synonyms: N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]biphenyl- 4- carboxamide
Smiles: Cc1ccc(cc1)c1csc(n1)NC(=O)c1ccc(cc1)c1ccccc1

STK024466
Synonyms: (6E)- 3- (benzylsulfanyl)- 5- imino- 6- (1H- indol- 3- ylmethylidene)- 5,6- dihydro- 7H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 7- one
Smiles: O=C1N=c2snc(n2C(=N)/C/1=C\c1c[nH]c2c1cccc2)SCc1ccccc1

STK024472
Synonyms: 1- {3- chloro- 4- [(5- methylhexyl)oxy]benzyl}- 3- phenylthiourea
Smiles: CC(CCCCOc1ccc(cc1Cl)CNC(=S)Nc1ccccc1)C

STK024492
Synonyms: 4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]- N'- (4- phenylcyclohexylidene)benzohydrazide
Smiles: O=C(c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/1\CCC(CC1)c1ccccc1

STK024504
Synonyms: 4- {[(E)- (4- chlorophenyl)methylidene]amino}- N- (6- methoxypyrimidin- 4- yl)benzenesulfonamide
Smiles: COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)Cl

STK024520
Synonyms: (4Z)- 4- [4- (benzyloxy)- 3- ethoxybenzylidene]- 2- (4- fluorophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\N=C(OC1=O)c1ccc(cc1)F

STK024522
Synonyms: N- {7- [(2- bromophenyl)carbonyl]- 2,3- dihydro- 1,4- benzodioxin- 6- yl}glycinamide
Smiles: NCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1Br

STK024532
Synonyms: methyl2- [(phenylcarbamothioyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2

STK024544
Synonyms: 2- ({1- [(4- fluorophenyl)carbonyl]- 1,2,3,4- tetrahydroquinolin- 6- yl}carbamoyl)benzoicacid
Smiles: Fc1ccc(cc1)C(=O)N1CCCc2c1ccc(c2)NC(=O)c1ccccc1C(=O)O

STK024546
Synonyms: N- {3- [(2- methoxyphenyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}pyridine- 4- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccncc1

STK024552
Synonyms: (4E)- 4- [2- (3- hydroxyphenyl)hydrazinylidene]- 2,5- diphenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Oc1cccc(c1)N/N=C\1/C(=O)N(N=C1c1ccccc1)c1ccccc1

STK024562
Synonyms: ethyl(2Z)- 2- (3,5- dichloro- 2- hydroxybenzylidene)- 7- methyl- 3- oxo- 5- (thiophen- 2- yl)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cc(Cl)cc(c1O)Cl)/s2

STK024567
Synonyms: (2Z)- N- tert- butyl- 2- (hydroxyimino)- 2- phenylethanamide
Smiles: O/N=C(/c1ccccc1)\C(=O)NC(C)(C)C

STK024572
Synonyms: cyclohexyl3- amino- 4,6- dimethylthieno[2,3- b]pyridine- 2- carboxylate
Smiles: Cc1cc(C)c2c(n1)sc(c2N)C(=O)OC1CCCCC1

STK024581
Synonyms: 2- {[1- (2,4- dimethylphenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccc(cc1C)C)NC(=O)C1CCCCC1C(=O)O

STK024600
Synonyms: 4- methoxy- N- (5- methyl- 4- oxo- 4,5- dihydro- 1,3- thiazol- 2- yl)benzamide
Smiles: COc1ccc(cc1)C(=O)NC1=NC(=O)C(S1)C

STK024607
Synonyms: 2- {[2- (3,4- dichlorophenyl)- 2- oxoethyl]sulfanyl}- 3- phenyl- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSC1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3

STK024622
Synonyms: 1- (naphthalen- 1- ylmethyl)piperidine
Smiles: C1CCN(CC1)Cc1cccc2c1cccc2

STK024627
Synonyms: 1- (2- chlorobenzyl)piperidine
Smiles: Clc1ccccc1CN1CCCCC1

STK024639
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (6- hydroxy- 6- methylheptan- 2- yl)piperidine- 4- carboxamide
Smiles: COc1cccc(c1O)CN1CCC(CC1)C(=O)NC(CCCC(O)(C)C)C

STK024673
Synonyms: 2- [5- (3- chlorophenyl)furan- 2- yl]- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Clc1cccc(c1)c1ccc(o1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK024696
Synonyms: N- cycloheptyl- 2- ethoxybenzamide
Smiles: CCOc1ccccc1C(=O)NC1CCCCCC1

STK024709
Synonyms: N- {[2- chloro- 5- (trifluoromethyl)phenyl]carbamothioyl}- 2- methyl- 3- nitrobenzamide
Smiles: S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1cc(ccc1Cl)C(F)(F)F

STK024710
Synonyms: ethyl(4- chlorophenoxy)acetate
Smiles: CCOC(=O)COc1ccc(cc1)Cl

STK024717
Synonyms: 5- amino- 1- benzyl- 3- phenyl- 1H- pyrazol- 4- ylthiocyanate
Smiles: N#CSc1c(nn(c1N)Cc1ccccc1)c1ccccc1

STK024728
Synonyms: N- (tert- butoxycarbonyl)leucylleucine
Smiles: CC(CC(C(=O)NC(C(=O)O)CC(C)C)NC(=O)OC(C)(C)C)C

STK024740
Synonyms: (5Z)- 5- (3- chloro- 5- ethoxy- 4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 3- (prop- 2- en- 1- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1c(Cl)cc(cc1OCC)/C=C/1\SC(=S)N(C1=O)CC=C

STK024744
Synonyms: 1,2- di(pyrrolidin- 1- yl)ethane- 1,2- dione
Smiles: O=C(C(=O)N1CCCC1)N1CCCC1

STK024755
Synonyms: (2E,3E)- 3- (benzylimino)- 2- (hydroxyimino)- N- phenylbutanamide
Smiles: O/N=C(\C(=N\Cc1ccccc1)\C)/C(=O)Nc1ccccc1

STK024784
Synonyms: (2E)- 3- (1H- indol- 3- yl)- 1- (4- nitrophenyl)prop- 2- en- 1- one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1c[nH]c2c1cccc2

STK024808
Synonyms: benzyl(8S,8aR)- 6- amino- 5,7,7- tricyano- 8- (7- methoxy- 1,3- benzodioxol- 5- yl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c2c(c1)OCO2)(C#N)C#N

STK024823
Synonyms: bis(1,3- dimethyl- 1H- indol- 2- yl)mercury
Smiles: Cn1c2ccccc2c(c1[Hg]c1c(C)c2c(n1C)cccc2)C

STK024829
Synonyms: 1- (5- {[2- (butan- 2- yl)phenoxy]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- (4- methoxyphenyl)urea
Smiles: CCC(c1ccccc1OCc1nnc(s1)NC(=O)Nc1ccc(cc1)OC)C

STK024834
Synonyms: ethyl2- {[(E)- (4- methoxyphenyl)methylidene]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2ccc(cc2)OC)sc2c1CCC2

STK024837
Synonyms: 2- methyl- 1- (methylsulfonyl)- 1H- benzimidazole
Smiles: Cc1nc2c(n1S(=O)(=O)C)cccc2

STK024838
Synonyms: 2- {[(2,5- dichlorophenyl)carbonyl]amino}benzoicacid
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccccc1C(=O)O)Cl

STK024844
Synonyms: 3- (4- methylphenyl)propylphenylcarbamate
Smiles: O=C(Nc1ccccc1)OCCCc1ccc(cc1)C

STK024856
Synonyms: N- benzyl- N- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methyl]butan- 1- amine
Smiles: CCCCN(Cc1c(nc2n1ccs2)c1ccccc1)Cc1ccccc1

STK024866
Synonyms: methyl(2Z)- {4- oxo- 2- [(2E)- 2- (3,4,5- trimethoxybenzylidene)hydrazinyl]- 1,3- thiazolidin- 5- ylidene}ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1cc(OC)c(c(c1)OC)OC

STK024879
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 4- (morpholin- 4- yl)- 4- oxobutanamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCC(=O)N1CCOCC1

STK024885
Synonyms: (5Z)- 5- [4- (prop- 2- yn- 1- yloxy)benzylidene]imidazolidine- 2,4- dione
Smiles: C#CCOc1ccc(cc1)/C=C/1\NC(=O)NC1=O

STK024887
Synonyms: 3- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- [4- (pentyloxy)benzyl]propanamide
Smiles: CCCCCOc1ccc(cc1)CNC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK024889
Synonyms: N- (1- methoxypropan- 2- yl)- 1- (naphthalen- 1- ylmethyl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc2c1cccc2)C

STK024941
Synonyms: 4- [(E)- phenyldiazenyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1ccccc1

STK024953
Synonyms: 5- ({1- [2- (3- methoxyphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)OCCn1c2ccccc2c(c1C)C=C1C(=O)NC(=O)NC1=O

STK024956
Synonyms: 3- ({[(4- tert- butylphenoxy)acetyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1cccc(c1)C(=O)O)COc1ccc(cc1)C(C)(C)C

STK024967
Synonyms: N- (4- methoxyphenyl)- 4- (4- nitrophenyl)- 2- (phenylamino)- 1,3- thiazole- 5- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1sc(nc1c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1

STK024981
Synonyms: (4- benzylpiperazin- 1- yl)[1- (3- methoxybenzyl)piperidin- 4- yl]methanone
Smiles: COc1cccc(c1)CN1CCC(CC1)C(=O)N1CCN(CC1)Cc1ccccc1

STK024983
Synonyms: N'- [(1E)- 1- (7- hydroxy- 2- oxo- 2H- chromen- 3- yl)ethylidene]- 4- methoxybenzohydrazide
Smiles: COc1ccc(cc1)C(=O)N/N=C(/c1cc2ccc(cc2oc1=O)O)\C

STK024992
Synonyms: (1E,4E)- 1,5- di(pyridin- 3- yl)penta- 1,4- dien- 3- one
Smiles: O=C(/C=C/c1cccnc1)/C=C/c1cccnc1

STK025010
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- N- {2- [(2,6- dichlorobenzyl)sulfanyl]ethyl}prop- 2- enamide
Smiles: O=C(/C=C/c1ccc2c(c1)OCO2)NCCSCc1c(Cl)cccc1Cl

STK025020
Synonyms: 2- ethoxy- 4- (4- hydroxy- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)phenylbenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccccc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)C

STK025040
Synonyms: 4- {[1- (2- ethylphenyl)- 3- methoxy- 3- oxopropyl]amino}- 4- oxobutanoicacid
Smiles: COC(=O)CC(c1ccccc1CC)NC(=O)CCC(=O)O

STK025053
Synonyms: 3- bromo- 4- hydroxy- 9- (4- methoxyphenyl)- 7- phenylthieno[2,3- b:4,5- b']dipyridin- 2(1H)- one
Smiles: COc1ccc(cc1)c1cc(nc2c1c1[nH]c(=O)c(c(c1s2)O)Br)c1ccccc1

STK025079
Synonyms: {[7- (4- chlorobenzyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK025087
Synonyms: 6,6- dimethyl- 2- (phenylamino)- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: O=c1[nH]c(Nc2ccccc2)nc2c1c1CC(C)(C)SCc1s2

STK025091
Synonyms: N- [2- (3- fluorophenyl)- 1,3- benzoxazol- 5- yl]- 3- methyl- 4- nitrobenzamide
Smiles: Fc1cccc(c1)c1oc2c(n1)cc(cc2)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

STK025100
Synonyms: (4Z)- 4- [2- (1,3- benzothiazol- 2- yl)hydrazinylidene]- 5- (4- nitrophenyl)- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1N(N=C(/C/1=N/Nc1nc2c(s1)cccc2)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK025107
Synonyms: N- (2- bromoprop- 2- en- 1- yl)anilinehydrochloride
Smiles: BrC(=C)CNc1ccccc1.Cl

STK025112
Synonyms: 2- methyl- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]benzamide
Smiles: Cc1ccc(cc1)c1csc(n1)NC(=O)c1ccccc1C

STK025130
Synonyms: 4,6- dimethylquinolin- 2- ol
Smiles: Cc1ccc2c(c1)c(C)cc(n2)O

STK025151
Synonyms: ethylbenzoate
Smiles: CCOC(=O)c1ccccc1

STK025155
Synonyms: (4Z)- 4- [2- (4- hydroxyphenyl)hydrazinylidene]- 5- (4- nitrophenyl)- 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)c1ccc(cc1)[N+](=O)[O-]

STK025156
Synonyms: N- (2- ethylhexyl)- N'- (2- phenylethyl)butanediamide
Smiles: CCCCC(CNC(=O)CCC(=O)NCCc1ccccc1)CC

STK025157
Synonyms: 4- ethoxy- N- {[4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]carbamothioyl}benzamide
Smiles: CCOc1ccc(cc1)C(=O)NC(=S)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK025213
Synonyms: N- [2- (dimethylamino)ethyl]- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: CN(CCNC(=O)CCC(=O)NCC1CCCO1)C

STK025246
Synonyms: N',N''- [benzene- 1,4- diyldi(E)methylylidene]bis(5- amino- 1H- 1,2,4- triazole- 3- carbohydrazide)
Smiles: O=C(c1n[nH]c(n1)N)N/N=C/c1ccc(cc1)/C=N/NC(=O)c1n[nH]c(n1)N

STK025276
Synonyms: (4,6- dimethylpyrimidin- 2- yl)[(1,1- dioxido- 3- oxo- 1,2- benzothiazol- 2(3H)- yl)methyl]cyanamide
Smiles: N#CN(c1nc(C)cc(n1)C)CN1C(=O)c2c(S1(=O)=O)cccc2

STK025294
Synonyms: 3- (4,6- dimethylpyrimidin- 2- yl)- 1,1- diphenylguanidine
Smiles: N=C(N(c1ccccc1)c1ccccc1)Nc1nc(C)cc(n1)C

STK025302
Synonyms: 4- bromo- N- (2- propanoylphenyl)benzamide
Smiles: CCC(=O)c1ccccc1NC(=O)c1ccc(cc1)Br

STK025317
Synonyms: (2Z)- 8- methoxy- 2- [(4- methylphenyl)imino]- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1)C)/c(c2)C(=O)Nc1scc(n1)c1ccc(cc1)C

STK025332
Synonyms: N- [(E)- (4- bromophenyl)methylidene]- 3- methoxyaniline
Smiles: COc1cccc(c1)/N=C/c1ccc(cc1)Br

STK025363
Synonyms: 4- [({[2- (biphenyl- 2- yl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindol- 5- yl]carbonyl}amino)methyl]benzoicacid
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccccc1c1ccccc1)NCc1ccc(cc1)C(=O)O

STK025371
Synonyms: (4E)- 3- (4- nitrophenyl)- 5- oxo- 4- [2- (4- phenyl- 1,3- thiazol- 2- yl)hydrazinylidene]- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2scc(n2)c2ccccc2)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK025392
Synonyms: 4- nitro- N- (2- nitrophenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+](=O)[O-]

STK025394
Synonyms: (6Z)- 6- (3- chloro- 5- ethoxy- 4- {2- [2- methoxy- 4- (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(cc(c1OCCOc1ccc(cc1OC)CC=C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK025431
Synonyms: (5E)- 1- (4- bromophenyl)- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/C1=O

STK025447
Synonyms: 2- [4- (3- {[2- (naphthalen- 1- yloxy)ethyl]amino}- 4- nitrophenyl)piperazin- 1- yl]ethanol
Smiles: OCCN1CCN(CC1)c1ccc(c(c1)NCCOc1cccc2c1cccc2)[N+](=O)[O-]

STK025448
Synonyms: 4,4'- [biphenyl- 4,4'- diylbis(oxy)]bis{N,N'- bis[(E)- (5- nitrofuran- 2- yl)methylidene]benzene- 1,2- diamine}
Smiles: [O-][N+](=O)c1ccc(o1)/C=N/c1cc(ccc1/N=C/c1ccc(o1)[N+](=O)[O-])Oc1ccc(cc1)c1ccc(cc1)Oc1ccc(c(c1)/N=C/c1ccc(o1)[N+](=O)[O-])/N=C/c1ccc(o1)[N+](=O)[O-]

STK025451
Synonyms: 3- cyclohexyl- 5- (4- phenylcyclohexyl)- 1,2,4- oxadiazole
Smiles: C1CCC(CC1)c1noc(n1)C1CCC(CC1)c1ccccc1

STK025469
Synonyms: N- [2- (dimethylamino)ethyl]- 1- (3- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1cccc(c1)CN1CCC(CC1)C(=O)NCCN(C)C

STK025508
Synonyms: (3Z)- 5- bromo- 3- [3- (4- methoxybenzyl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]- 1,3- dihydro- 2H- indol- 2- one
Smiles: COc1ccc(cc1)CN1C(=S)S/C(=C/2\C(=O)Nc3c2cc(Br)cc3)/C1=O

STK025512
Synonyms: [1- benzyl- 3- (methylsulfanyl)- 1H- indol- 2- yl]aceticacid
Smiles: CSc1c2ccccc2n(c1CC(=O)O)Cc1ccccc1

STK025522
Synonyms: 1- [(1E)- 1- (4- bromophenyl)- 3- oxo- 3- (3,3,4- trimethyl- 6- azabicyclo[3.2.1]oct- 6- yl)prop- 1- en- 2- yl]pyridin- 2(1H)- one
Smiles: Brc1ccc(cc1)/C=C(/n1ccccc1=O)\C(=O)N1CC2CC1C(C)C(C2)(C)C

STK025526
Synonyms: 2- [tert- butyl(methyl)amino]ethyl(4- methoxyphenoxy)acetate
Smiles: COc1ccc(cc1)OCC(=O)OCCN(C(C)(C)C)C

STK025536
Synonyms: 5,6- diacetyl- 2- (1,3- benzothiazol- 2- ylamino)- 5,6- dihydro- 1H- 1,3- diazepine- 4,7- dione
Smiles: CC(=O)C1C(=O)N=C(NC(=O)C1C(=O)C)Nc1sc2c(n1)cccc2

STK025544
Synonyms: methyl2- {[(4- methylphenyl)sulfonyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)c1c(sc2c1CCC2)NS(=O)(=O)c1ccc(cc1)C

STK025576
Synonyms: 2- [5- (2- chlorophenyl)furan- 2- yl]- 7- methyl- 1,2,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ol
Smiles: CN1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccccc1Cl)O

STK025577
Synonyms: 7- (2,4- dichlorophenyl)- 5- phenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)C1C=C(Nc2n1ncn2)c1ccccc1

STK025591
Synonyms: [3- (4- fluorophenyl)- 5- hydroxy- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl](pyridin- 3- yl)methanone
Smiles: Fc1ccc(cc1)C1=NN(C(C1)(O)C(F)(F)F)C(=O)c1cccnc1

STK025594
Synonyms: 7- amino- 5- (3- methoxyphenyl)- 2,4- dioxo- 1,3,4,5- tetrahydro- 2H- pyrano[2,3- d]pyrimidine- 6- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1)OC)c(=O)[nH]c(=O)[nH]2

STK025601
Synonyms: 4- methyl- N- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]benzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1scc(n1)c1ccc(cc1)C

STK025604
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1cccc(c1)OC)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK025609
Synonyms: 2- {[1- (2- chlorophenyl)- 5- methyl- 4- phenyl- 1H- imidazol- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(c(n1c1ccccc1Cl)C)c1ccccc1

STK025611
Synonyms: 1- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)- 3- (piperidin- 1- yl)propane- 1,3- dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCCCC1

STK025660
Synonyms: 2- chloro- 5- ({[(3- iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cccc(c1)I)Nc1ccc(c(c1)C(=O)O)Cl

STK025674
Synonyms: (1E)- N- hydroxy- 1- (3- methyl- 1H- indol- 2- yl)ethanimine
Smiles: O/N=C(/c1[nH]c2c(c1C)cccc2)\C

STK025675
Synonyms: dimethyl2- [(2,2- dimethylbutanoyl)amino]benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)C(CC)(C)C)C(=O)OC

STK025677
Synonyms: N- [4- (diethylsulfamoyl)phenyl]biphenyl- 4- carboxamide
Smiles: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)c1ccccc1)CC

STK025683
Synonyms: 4,4'- {6- [(2E)- 2- {2- [2- (2- methoxyphenoxy)ethoxy]benzylidene}hydrazinyl]pyrimidine- 2,4- diyl}dimorpholine
Smiles: COc1ccccc1OCCOc1ccccc1/C=N/Nc1cc(nc(n1)N1CCOCC1)N1CCOCC1

STK025686
Synonyms: 2- chloro- 5- {[(phenylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(=O)c1ccccc1)Nc1ccc(c(c1)C(=O)O)Cl

STK025691
Synonyms: 4- methoxy- N- (6- methyl- 1,3- benzothiazol- 2- yl)benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cc(cc2)C

STK025698
Synonyms: 4- [(2- oxo- 2H- chromen- 4- yl)amino]benzoicacid
Smiles: O=c1cc(Nc2ccc(cc2)C(=O)O)c2c(o1)cccc2

STK025708
Synonyms: N,N'- biphenyl- 4,4'- diylbis(N- acetylacetamide)
Smiles: CC(=O)N(c1ccc(cc1)c1ccc(cc1)N(C(=O)C)C(=O)C)C(=O)C

STK025715
Synonyms: 2- [(4- methylphenyl)carbonyl]- N- [3- (trifluoromethyl)phenyl]hydrazinecarbothioamide
Smiles: S=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)c1ccc(cc1)C

STK025720
Synonyms: N- (3- chloropyridin- 2- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1ncccc1Cl

STK025743
Synonyms: 2- [(E)- {[3- (5,7- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]imino}methyl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)/C=N/c1cccc(c1)c1nc2c(o1)c(C)cc(c2)C

STK025770
Synonyms: benzyl3- (1- acetyl- 1H- indol- 3- yl)- 3- (benzylsulfanyl)- 2- nitropropanoate
Smiles: [O-][N+](=O)C(C(c1cn(c2c1cccc2)C(=O)C)SCc1ccccc1)C(=O)OCc1ccccc1

STK025772
Synonyms: 6- chloro- 4- (2- chlorophenyl)- 3- [(4- methyl- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]quinolin- 2(1H)- one
Smiles: Clc1ccc2c(c1)c(c1ccccc1Cl)c(c(=O)[nH]2)Sc1nc(C)cc(=O)[nH]1

STK025800
Synonyms: 4- {1- [1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]cyclohexyl}morpholine
Smiles: Cc1cccc(c1n1nnnc1C1(CCCCC1)N1CCOCC1)C

STK025821
Synonyms: N'- {[(4- ethoxyphenyl)carbonyl]oxy}pyridine- 2- carboximidamide
Smiles: CCOc1ccc(cc1)C(=O)O/N=C(/c1ccccn1)\N

STK025822
Synonyms: 6,7- dimethoxy- 3- pentyl- 2- sulfanylquinazolin- 4(3H)- one
Smiles: CCCCCn1c(S)nc2c(c1=O)cc(c(c2)OC)OC

STK025886
Synonyms: 1- (3- methoxyphenyl)- 3- [5- (4- methoxyphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccc(cc1)c1nnc(s1)NC(=O)Nc1cccc(c1)OC

STK025908
Synonyms: (2Z)- N- acetyl- 8- methoxy- 2- [(4- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1)C)/c(c2)C(=O)NC(=O)C

STK025936
Synonyms: 6- bromo- 7- methyl- 2- (phenylamino)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: Cc1nc2sc(nn2c(=O)c1Br)Nc1ccccc1

STK025939
Synonyms: 1,3- bis(4- methylphenyl)- 5- phenyl- 1,3,5- diazaphosphinane5- oxide
Smiles: Cc1ccc(cc1)N1CN(CP(=O)(C1)c1ccccc1)c1ccc(cc1)C

STK025971
Synonyms: diethyl2,5- diacetylbenzene- 1,4- dicarboxylate
Smiles: CCOC(=O)c1cc(C(=O)C)c(cc1C(=O)C)C(=O)OCC

STK025976
Synonyms: 5- (5- iodo- 2,3- dimethoxybenzylidene)- 1,3- dimethyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: COc1c(cc(cc1OC)I)C=C1C(=O)N(C)C(=S)N(C1=O)C

STK025997
Synonyms: 1- (2- hydroxybenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccccc1O)(C)C

STK026002
Synonyms: 5- [4- (difluoromethoxy)phenyl]- 2- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: FC(Oc1ccc(cc1)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)C)F

STK026051
Synonyms: N'- [(1E)- 1- (3,4- dimethoxyphenyl)ethylidene]- 4,5- dihydro- 1H- benzo[g]indazole- 3- carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1n[nH]c2c1CCc1c2cccc1)/C

STK026059
Synonyms: N- (furan- 2- ylmethyl)- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)NCc1ccco1

STK026063
Synonyms: (3E)- 3- (2- pentanoylhydrazinylidene)- N- (pyridin- 2- yl)butanamide
Smiles: CCCCC(=O)N/N=C(/CC(=O)Nc1ccccn1)\C

STK026077
Synonyms: 3- (2- chlorobenzyl)- 5- (2- chlorophenyl)- 1,2,4- oxadiazole
Smiles: Clc1ccccc1Cc1noc(n1)c1ccccc1Cl

STK026097
Synonyms: 3- amino- N- (5- methylpyridin- 2- yl)- 6- (thiophen- 2- yl)- 4- (trifluoromethyl)thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1sc2c(c1N)c(cc(n2)c1cccs1)C(F)(F)F

STK026131
Synonyms: 5- (4- bromophenyl)- N- [(4,6- dimethylpyrimidin- 2- yl)carbamothioyl]furan- 2- carboxamide
Smiles: S=C(NC(=O)c1ccc(o1)c1ccc(cc1)Br)Nc1nc(C)cc(n1)C

STK026133
Synonyms: 3- chloro- N- [4- (4- methoxyphenyl)- 5- methyl- 1,3- thiazol- 2- yl]benzamide
Smiles: COc1ccc(cc1)c1nc(sc1C)NC(=O)c1cccc(c1)Cl

STK026156
Synonyms: N- benzyl- 6- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- N'- methyl- 1,3,5- triazine- 2,4- diamine
Smiles: CNc1nc(NCc2ccccc2)nc(n1)OC(C(F)(F)F)C(F)(F)F

STK026167
Synonyms: 4- [5- (2- chlorophenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: Clc1ccccc1c1onc(n1)c1ccncc1

STK026183
Synonyms: (2E)- 3- [(2- methoxy- 4- nitrophenyl)amino]- 1- (pyridin- 4- yl)but- 2- en- 1- one
Smiles: COc1cc(ccc1N/C(=C/C(=O)c1ccncc1)/C)[N+](=O)[O-]

STK026214
Synonyms: 2- [(E)- 2- (2- methyl- 1H- indol- 3- yl)ethenyl]quinoline- 4- carboxylicacid
Smiles: OC(=O)c1cc(/C=C/c2c(C)[nH]c3c2cccc3)nc2c1cccc2

STK026235
Synonyms: 7- (2- bromoethyl)- 1,3- dimethyl- 3,4,5,7- tetrahydro- 1H- purine- 2,6- dione
Smiles: BrCCN1C=NC2C1C(=O)N(C)C(=O)N2C

STK026247
Synonyms: 1,1'- (1,5- dimethyl- 3,7- diazabicyclo[3.3.1]nonane- 3,7- diyl)diethanone
Smiles: CC(=O)N1CC2(C)CN(C[C@@](C1)(C2)C)C(=O)C

STK026272
Synonyms: 2- (3- bromo- 4- methoxyphenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: COc1ccc(cc1Br)C1N=C(O)c2c(N1)sc1c2CCCC1

STK026277
Synonyms: N- butyl- 1- (3- ethoxy- 2- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1cccc(c1O)OCC

STK026301
Synonyms: N'- (2,5- dioxopyrrolidin- 3- yl)- 3- fluorobenzohydrazide
Smiles: O=C1NC(=O)C(C1)NNC(=O)c1cccc(c1)F

STK026308
Synonyms: 1- (4- bromophenyl)- 3- methoxythiourea
Smiles: CONC(=S)Nc1ccc(cc1)Br

STK026318
Synonyms: 2- {[1- (4- chlorophenyl)- 4- cyano- 5,6,7,8- tetrahydroisoquinolin- 3- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: N#Cc1c(SCC(=O)Nc2ccc(cc2)F)nc(c2c1CCCC2)c1ccc(cc1)Cl

STK026322
Synonyms: N- {2- [(furan- 2- ylmethyl)amino]- 4'- methyl- 4,5'- bi- 1,3- thiazol- 2'- yl}acetamide
Smiles: CC(=O)Nc1nc(c(s1)c1csc(n1)NCc1ccco1)C

STK026333
Synonyms: 3- benzyl- 4- [(3,4- dichlorophenyl)amino]- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)Nc1ccc(c(c1)Cl)Cl)Cc1ccccc1

STK026342
Synonyms: 3- {[2- (4- chlorophenyl)ethyl]amino}- 2- (tetrahydrofuran- 2- ylmethyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: Clc1ccc(cc1)CCNC1N(CC2CCCO2)C(=O)c2c1cccc2

STK026347
Synonyms: (5Z)- 5- {[1- (3,4- dichlorobenzyl)- 1H- indol- 3- yl]methylidene}- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN1C(=S)S/C(=C\c2cn(c3c2cccc3)Cc2ccc(c(c2)Cl)Cl)/C1=O

STK026369
Synonyms: N- (2- phenylethyl)- 1- (3,4,5- trimethoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1cc(CN2CCC(CC2)C(=O)NCCc2ccccc2)cc(c1OC)OC

STK026411
Synonyms: (4Z)- 2- (3- chlorophenyl)- 4- (4- nitrobenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: Clc1cccc(c1)C1=N/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)O1

STK026424
Synonyms: 1- (5,6- dimethyl- 1H- benzimidazol- 1- yl)- 4- phenoxybutan- 1- one
Smiles: Cc1cc2ncn(c2cc1C)C(=O)CCCOc1ccccc1

STK026425
Synonyms: (3,5- di- tert- butyl- 4- hydroxyphenyl)- N- (methoxymethyl)- N,N- dimethylmethanaminium
Smiles: COC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK026435
Synonyms: 1,4- bis(5- oxo- 2- phenylpyrazolidin- 1- yl)anthracene- 9,10- dione
Smiles: O=C1CCN(N1c1ccc(c2c1C(=O)c1ccccc1C2=O)N1C(=O)CCN1c1ccccc1)c1ccccc1

STK026466
Synonyms: (2E)- 2- (4- oxopentan- 2- ylidene)- N- phenylhydrazinecarboxamide
Smiles: O=C(Nc1ccccc1)N/N=C(/CC(=O)C)\C

STK026472
Synonyms: [(2- oxoazepan- 1- yl)methyl][(2- oxopyrrolidin- 1- yl)methyl]phosphinicacid
Smiles: O=C1CCCCCN1CP(=O)(CN1CCCC1=O)O

STK026483
Synonyms: {2- [(naphthalen- 1- ylamino)methyl]phenyl}methanol
Smiles: OCc1ccccc1CNc1cccc2c1cccc2

STK026511
Synonyms: (4Z)- 2- [5- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 4- [2- (3- methylphenyl)hydrazinylidene]- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)c1cnc(s1)N1N=C(/C(=N/Nc2cccc(c2)C)/C1=O)c1ccccc1

STK026540
Synonyms: 1- (2- {[3- (4- methylcyclohex- 3- en- 1- yl)but- 3- en- 1- yl]oxy}- 2- oxoethyl)piperidinium
Smiles: O=C(C[NH+]1CCCCC1)OCCC(=C)C1CCC(=CC1)C

STK026541
Synonyms: N- [(3- methoxy- 4- nitrophenyl)carbonyl]glycine
Smiles: COc1cc(ccc1[N+](=O)[O-])C(=O)NCC(=O)O

STK026593
Synonyms: 4- {[4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]amino}- 2- hydroxybenzoicacid
Smiles: CCc1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)O)C(=O)O

STK026614
Synonyms: 6- amino- 4- (3,5- dichloro- 2- methoxyphenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(Cl)cc(c1OC)Cl)c(C)n[nH]2

STK026626
Synonyms: 2- fluoro- N- [2- (naphthalen- 1- yl)- 2H- benzotriazol- 5- yl]benzamide
Smiles: O=C(c1ccccc1F)Nc1ccc2c(c1)nn(n2)c1cccc2c1cccc2

STK026630
Synonyms: N- (2- fluoro- 5- nitrophenyl)- 4- (propan- 2- yloxy)benzamide
Smiles: CC(Oc1ccc(cc1)C(=O)Nc1cc(ccc1F)[N+](=O)[O-])C

STK026648
Synonyms: N'- [(E)- (5- bromo- 2- fluorophenyl)methylidene]- 3- phenyl- 1H- pyrazole- 5- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1[nH]nc(c1)c1ccccc1)F

STK026650
Synonyms: 7,7'- [(1E)- 1- phenylprop- 1- ene- 3,3- diyl]bis(8- hydroxy- 3,4- dihydro- 2H,6H- pyrimido[2,1- b][1,3]thiazin- 6- one)
Smiles: Oc1nc2SCCCn2c(=O)c1C(c1c(O)nc2n(c1=O)CCCS2)/C=C/c1ccccc1

STK026677
Synonyms: 3,4- dimethoxy- N- [(3E)- 4- phenyl- 3H- 1,2- dithiol- 3- ylidene]aniline
Smiles: COc1cc(ccc1OC)/N=c\1/sscc1c1ccccc1

STK026703
Synonyms: ethyl[(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCCC3

STK026734
Synonyms: N'- [(E)- (5- chloro- 2- hydroxy- 4- methylphenyl)(phenyl)methylidene]tricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)N/N=C(/c1cc(Cl)c(cc1O)C)\c1ccccc1

STK026746
Synonyms: (4Z)- 4- [2- (2- chlorophenyl)hydrazinylidene]- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N\Nc1ccccc1Cl)c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK026767
Synonyms: N- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 2- (4- nitrophenoxy)acetamide
Smiles: CCOc1ccc2c(c1)sc(n2)NC(=O)COc1ccc(cc1)[N+](=O)[O-]

STK026781
Synonyms: 4- benzyl- 2- {(E)- [(2- hydroxy- 5- methylphenyl)imino]methyl}- 6- nitrophenol
Smiles: Cc1ccc(c(c1)/N=C/c1cc(Cc2ccccc2)cc(c1O)[N+](=O)[O-])O

STK026793
Synonyms: N- (3- methoxypropyl)- 1- [(5- methylfuran- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)Cc1ccc(o1)C

STK026820
Synonyms: 2- [(E)- (biphenyl- 4- ylimino)methyl]- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/c1ccc(cc1)c1ccccc1)[N+](=O)[O-]

STK026840
Synonyms: N~2~- (1H- indol- 1- ylacetyl)glycinamide
Smiles: O=C(Cn1ccc2c1cccc2)NCC(=O)N

STK026848
Synonyms: 3- (4- chlorophenyl)- 3- [(pyridin- 3- ylmethyl)amino]- 2- benzofuran- 1(3H)- one
Smiles: Clc1ccc(cc1)C1(NCc2cccnc2)OC(=O)c2c1cccc2

STK026869
Synonyms: 1- (naphthalen- 2- ylsulfonyl)- 1H- 1,2,4- triazole
Smiles: O=S(=O)(n1cncn1)c1ccc2c(c1)cccc2

STK026874
Synonyms: (6Z)- 5- imino- 6- {3- iodo- 5- methoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1cccc(c1)C)I)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK026901
Synonyms: 2- (diethylamino)ethyl1,3- benzodioxole- 5- carboxylate
Smiles: CCN(CCOC(=O)c1ccc2c(c1)OCO2)CC

STK026906
Synonyms: (2E)- 2- cyano- 2- {2- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]hydrazinylidene}ethanamide
Smiles: N#C/C(=N\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)/C(=O)N

STK026912
Synonyms: 4- (1H- benzimidazol- 1- ylcarbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)n1cnc2c1cccc2

STK026935
Synonyms: 1- [(3,4- dichlorobenzyl)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: Clc1cc(ccc1Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCC3

STK026944
Synonyms: ethyl4- [(6- phenylimidazo[2,1- b][1,3]thiazol- 5- yl)methyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1c(nc2n1ccs2)c1ccccc1

STK026964
Synonyms: 1- ({2- [(2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]propanoyl}oxy)pyrrolidine- 2,5- dione
Smiles: O=C(C(Oc1ccc2c(c1)oc(=O)cc2c1ccccc1)C)ON1C(=O)CCC1=O

STK026985
Synonyms: N- (2- methylphenyl)naphthalene- 2- carboxamide
Smiles: O=C(c1ccc2c(c1)cccc2)Nc1ccccc1C

STK027001
Synonyms: 3- methyl- N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]butanamide
Smiles: CC(CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)C

STK027007
Synonyms: 7- phenyl- 4H- [1,2,5]oxadiazolo[3,4- b][1,4]diazepin- 5(8H)- one
Smiles: O=c1cc([nH]c2c([nH]1)non2)c1ccccc1

STK027013
Synonyms: 3,5- dichloro- 2- ({[(2E)- 3- phenylprop- 2- enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1c(Cl)cc(cc1C(=O)O)Cl)/C=C/c1ccccc1

STK027027
Synonyms: 4- chloro- N- [5- ({2- [(3- chloro- 2- methylphenyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(s1)NC(=O)c1ccc(cc1)Cl

STK027034
Synonyms: N- (2,4- dimethoxybenzyl)- N- ethylethanamine
Smiles: CCN(Cc1ccc(cc1OC)OC)CC

STK027038
Synonyms: N- {2- [4- (ethoxycarbonyl)- 4- hexyl- 2- methyl- 5- oxotetrahydrofuran- 2- yl]- 2- oxoethyl}- 1,3,4- thiadiazol- 2- aminiumbromide(non- preferredname)
Smiles: CCCCCCC1(CC(OC1=O)(C)C(=O)C[NH2+]c1scnn1)C(=O)OCC.[Br-]

STK027039
Synonyms: (2E)- 2- [3- (1H- benzotriazol- 1- ylmethyl)- 4- methoxybenzylidene]- N- (prop- 2- en- 1- yl)hydrazinecarbothioamide
Smiles: C=CCNC(=S)N/N=C/c1ccc(c(c1)Cn1nnc2c1cccc2)OC

STK027059
Synonyms: 2- [(2- cyano- 5,5- dimethyl- 3- oxocyclohex- 1- en- 1- yl)amino]ethanesulfonate
Smiles: N#CC1=C(NCCS(=O)(=O)[O-])CC(CC1=O)(C)C

STK027064
Synonyms: bis(4- fluorophenyl)bromonium
Smiles: Fc1ccc(cc1)[Br+]c1ccc(cc1)F

STK027079
Synonyms: 1- (5- bromopyridin- 2- yl)- 3- (2- chloro- 4,5- difluorophenyl)urea
Smiles: O=C(Nc1cc(F)c(cc1Cl)F)Nc1ccc(cn1)Br

STK027096
Synonyms: N'- [2- (naphthalen- 1- yloxy)acetyl]pyridine- 4- carbohydrazide
Smiles: O=C(COc1cccc2c1cccc2)NNC(=O)c1ccncc1

STK027127
Synonyms: (5Z)- 1- [4- (4- aminophenoxy)phenyl]- 5- [4- (diethylamino)benzylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCN(c1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Oc1ccc(cc1)N)CC

STK027138
Synonyms: (4R)- 2- (2,4,6- trifluorophenyl)- 1,3- thiazolidine- 4- carboxylicacid
Smiles: OC(=O)[C@@H]1CSC(N1)c1c(F)cc(cc1F)F

STK027152
Synonyms: N~2~,N~2~- diethyl- N- (4- methyl- 5- phenyl- 1,3- thiazol- 2- yl)glycinamide
Smiles: CCN(CC(=O)Nc1nc(c(s1)c1ccccc1)C)CC

STK027154
Synonyms: 6- [(methylcarbamoyl)amino]- 4,5- dihydro- 1,2,4- triazine- 5- carboxylicacid
Smiles: CNC(=O)NC1=NN=CNC1C(=O)O

STK027163
Synonyms: 1- [(6- ethoxynaphthalen- 2- yl)sulfonyl]- 2- methylpiperidine
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCCCC1C

STK027170
Synonyms: 3- (2- aminoethyl)- 1H- indol- 5- ylbeta- alaninate
Smiles: NCCC(=O)Oc1ccc2c(c1)c(CCN)c[nH]2

STK027180
Synonyms: 2- amino- 4- (4- bromophenyl)- 7- methyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)Br)c(=O)[nH]c(c2)C

STK027182
Synonyms: N- {3- [(2- methoxyphenyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}pyridine- 3- carboxamide
Smiles: COc1ccccc1NC(=O)c1c(sc2c1CCCC2)NC(=O)c1cccnc1

STK027188
Synonyms: N- (2,5- dimethylphenyl)- 2- (pyridin- 3- ylcarbonyl)hydrazinecarbothioamide
Smiles: S=C(Nc1cc(C)ccc1C)NNC(=O)c1cccnc1

STK027191
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- N- ethylethanamine
Smiles: CCN(Cc1ccc2c(c1)OCO2)CC

STK027223
Synonyms: (5Z)- 5- [4- (benzyloxy)- 3- ethoxybenzylidene]- 3- (prop- 2- yn- 1- yl)- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\SC(=O)N(C1=O)CC#C

STK027229
Synonyms: 3a,4,5,9b- tetrahydro- 3H- cyclopenta[c]quinoline- 4,8- dicarboxylicacid
Smiles: OC(=O)C1Nc2ccc(cc2C2C1CC=C2)C(=O)O

STK027234
Synonyms: (5Z)- 3- (3- chloro- 4- methylphenyl)- 5- [(2E)- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\C=C\c2ccccc2)/C(=O)N1c1ccc(c(c1)Cl)C

STK027245
Synonyms: 2- [5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: COc1cc(ccc1OC)c1onc(n1)c1ccccn1

STK027253
Synonyms: 1,1'- iminodianthracene- 9,10- dione
Smiles: O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1cccc2c1C(=O)c1ccccc1C2=O

STK027261
Synonyms: (4E)- 4- ({1- [2- (2,4- dichlorophenoxy)ethyl]- 2,5- dimethyl- 1H- indol- 3- yl}methylidene)- 1- phenylpyrazolidine- 3,5- dione
Smiles: Clc1ccc(c(c1)Cl)OCCn1c(C)c(c2c1ccc(c2)C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

STK027264
Synonyms: N- (3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)- 2- (2- methoxy- 4- methylphenoxy)propanamide
Smiles: COc1cc(C)ccc1OC(C(=O)Nc1sc2c(c1C#N)CCC2)C

STK027277
Synonyms: 2,3- dichloro- N- [(2,3- dichlorophenyl)carbonyl]- N- (4,5- dihydro- 1,3- thiazol- 2- yl)benzamide
Smiles: O=C(c1cccc(c1Cl)Cl)N(C(=O)c1cccc(c1Cl)Cl)C1=NCCS1

STK027290
Synonyms: 6- amino- 4- {4- methoxy- 3- [(3- nitro- 1H- 1,2,4- triazol- 1- yl)methyl]phenyl}- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1cnc(n1)[N+](=O)[O-])OC)c(C)n[nH]2

STK027306
Synonyms: ethyl5- [({[5- (3- chlorophenyl)furan- 2- yl]carbonyl}carbamothioyl)amino]- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=S)NC(=O)c1ccc(o1)c1cccc(c1)Cl

STK027323
Synonyms: [3- (diethylamino)propane- 1,2- diyl]bis(phosphonicacid)
Smiles: CCN(CC(P(=O)(O)O)CP(=O)(O)O)CC

STK027325
Synonyms: 4- fluoro- N- [2- (4- methoxyphenyl)- 2H- benzotriazol- 5- yl]benzamide
Smiles: COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1ccc(cc1)F

STK027326
Synonyms: 1- (2- hydroxy- 3- methoxybenzyl)- N- (1- hydroxy- 2- methylpropan- 2- yl)piperidine- 4- carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1cccc(c1O)OC)(C)C

STK027333
Synonyms: 2- [benzyl(2- methoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1OC)Cc1ccccc1

STK027383
Synonyms: N'- [(E)- (3- bromo- 4- methoxyphenyl)methylidene]- 2- (naphthalen- 2- ylamino)acetohydrazide(non- preferredname)
Smiles: COc1ccc(cc1Br)/C=N/NC(=O)CNc1ccc2c(c1)cccc2

STK027394
Synonyms: 2,2'- (1H- imidazole- 4,5- diyl)bis(1H- benzimidazole)
Smiles: c1[nH]c(c(n1)c1[nH]c2c(n1)cccc2)c1[nH]c2c(n1)cccc2

STK027414
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3,3- bis(4- fluorophenyl)- 3- methoxypropanoicacid
Smiles: COC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccc(cc1)F)c1ccc(cc1)F

STK027428
Synonyms: 5- [(8- hydroxyquinolin- 6- yl)methyl]quinolin- 8- ol
Smiles: Oc1cc(Cc2ccc(c3c2cccn3)O)cc2c1nccc2

STK027437
Synonyms: 6- amino- 4- (6- bromo- 1,3- benzodioxol- 5- yl)- 3- propyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCc1n[nH]c2c1C(C(=C(O2)N)C#N)c1cc2OCOc2cc1Br

STK027444
Synonyms: 3- (pyridin- 2- yl)- 2- [(E)- 2- (pyridin- 3- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: O=c1n(c(/C=C/c2cccnc2)nc2c1cccc2)c1ccccn1

STK027446
Synonyms: 2- {[({2- [(4- bromophenyl)amino]- 2- oxoethyl}sulfanyl)methyl]sulfanyl}- N- (4- chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSCSCC(=O)Nc1ccc(cc1)Br

STK027478
Synonyms: (5Z)- 5- (4- fluorobenzylidene)- 2- (3- methylpiperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: CC1CCCN(C1)C1=NC(=O)/C(=C/c2ccc(cc2)F)/S1

STK027488
Synonyms: [4- hydroxy- 3- (prop- 2- en- 1- yl)phenyl](pyrrolidin- 1- yl)methanone
Smiles: C=CCc1cc(ccc1O)C(=O)N1CCCC1

STK027492
Synonyms: (2Z)- 6- chloro- N- [4- (3,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 2- (phenylimino)- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc2c(c1)cc(/c(=N/c1ccccc1)/o2)C(=O)Nc1scc(n1)c1ccc(c(c1)Cl)Cl

STK027502
Synonyms: 4- (thiophen- 2- yl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)c1cccs1

STK027522
Synonyms: N- benzyl- 1- (cyclohexylmethyl)- N- [2- (dimethylamino)ethyl]piperidine- 4- carboxamide
Smiles: CN(CCN(C(=O)C1CCN(CC1)CC1CCCCC1)Cc1ccccc1)C

STK027532
Synonyms: 1- (3- {[(E)- (5- bromo- 2,4- dimethoxyphenyl)methylidene]amino}phenyl)ethanone
Smiles: COc1cc(OC)c(cc1/C=N/c1cccc(c1)C(=O)C)Br

STK027540
Synonyms: 16,18- dioxo- 17- [3- (propoxycarbonyl)- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl]- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaene- 1- carboxylicacid(non- preferredname)
Smiles: CCCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)cccc3

STK027543
Synonyms: 3- (1H- benzimidazol- 2- yl)- 2H- chromen- 2- imine
Smiles: N=c1oc2ccccc2cc1c1nc2c([nH]1)cccc2

STK027544
Synonyms: 1- (2- chloroethyl)- 1H- pyrazole
Smiles: ClCCn1cccn1

STK027565
Synonyms: (4Z)- 4- [2- (benzyloxy)- 5- bromobenzylidene]- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Brc1ccc(c(c1)/C=C\1/C(=NN(C1=O)c1ccccc1)C)OCc1ccccc1

STK027573
Synonyms: 3- nitro- 1- [(E)- (propan- 2- ylimino)methyl]- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 2- ol
Smiles: CC(/N=C/c1c2c(oc3c2CCCC3)cc(c1O)[N+](=O)[O-])C

STK027582
Synonyms: 5- (5- bromo- 2- hydroxybenzylidene)- 2- tert- butyl- 2- methyl- 1,3- dioxane- 4,6- dione
Smiles: CC(C1(C)OC(=O)/C(=C/c2cc(Br)ccc2O)/C(=O)O1)(C)C

STK027607
Synonyms: N- ethyl- 2- methyl- N- (pyridin- 2- ylmethyl)prop- 2- en- 1- amine
Smiles: CCN(Cc1ccccn1)CC(=C)C

STK027634
Synonyms: {2- methoxy- 4- [(Z)- (5- oxo- 2- thioxoimidazolidin- 4- ylidene)methyl]- 6- (prop- 2- en- 1- yl)phenoxy}aceticacid
Smiles: C=CCc1cc(/C=C/2\NC(=S)NC2=O)cc(c1OCC(=O)O)OC

STK027665
Synonyms: N- (2- ethoxyphenyl)- 2- [(2,2,3,3,4,4,4- heptafluorobutanoyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: CCOc1ccccc1NC(=O)c1c(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)sc2c1CCC2

STK027667
Synonyms: 4- [(4- nitrophenyl)sulfanyl]but- 2- yn- 1- yl(4- fluorophenyl)acetate
Smiles: O=C(Cc1ccc(cc1)F)OCC#CCSc1ccc(cc1)[N+](=O)[O-]

STK027668
Synonyms: N- [4- ({2- [(2- iodophenyl)carbonyl]hydrazinyl}carbonyl)phenyl]propanamide
Smiles: CCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccccc1I

STK027671
Synonyms: 1- (5- {[(2,4- dichlorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- (4- methylphenyl)urea
Smiles: O=C(Nc1ccc(cc1)C)Nc1nnc(s1)CSCc1ccc(cc1Cl)Cl

STK027676
Synonyms: N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]quinoline- 2- carbohydrazide
Smiles: O=C(c1ccc2c(n1)cccc2)N/N=C/c1c(O)ccc2c1cccc2

STK027707
Synonyms: N- [(3- methylpiperidin- 1- yl)methyl]benzamide
Smiles: CC1CCCN(C1)CNC(=O)c1ccccc1

STK027711
Synonyms: 7- dodecyl- 8- [(2- hydroxyethyl)amino]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCCCCCn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C

STK027712
Synonyms: 1- (4- chlorophenyl)- 2- (8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- ylsulfanyl)ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1cnc1c2c2CCCCc2s1

STK027715
Synonyms: 6- amino- 4- (2,3- dichlorophenyl)- 3- methyl- 1- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccc(c1Cl)Cl)c(C)nn2c1ccccc1

STK027721
Synonyms: (6Z)- 6- {3- chloro- 5- methoxy- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccccc1OC)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK027776
Synonyms: N- butyl- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCCCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK027781
Synonyms: (2E)- N- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}- 3- phenylprop- 2- enamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)/C=C/c1ccccc1

STK027788
Synonyms: 3,4- bis{[(2E)- 3- phenylprop- 2- enoyl]amino}benzoicacid
Smiles: O=C(Nc1ccc(cc1NC(=O)/C=C/c1ccccc1)C(=O)O)/C=C/c1ccccc1

STK027791
Synonyms: N- ethyl- N- phenylquinoline- 2- carboxamide
Smiles: CCN(C(=O)c1ccc2c(n1)cccc2)c1ccccc1

STK027835
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- (3- ethoxy- 2- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C

STK027847
Synonyms: [(methylimino)dimethanediyl]bis(phosphonicacid)
Smiles: CN(CP(=O)(O)O)CP(=O)(O)O

STK027858
Synonyms: 2- [(1H- benzimidazol- 2- ylamino)methyl]- 4- chlorophenol
Smiles: Clc1ccc(c(c1)CNc1nc2c([nH]1)cccc2)O

STK027871
Synonyms: (2Z)- 2- [3- phenyl- 3- (phenylcarbamoyl)cyclopentylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C\1/CCC(C1)(c1ccccc1)C(=O)Nc1ccccc1

STK028019
Synonyms: N'- [(3Z)- 5,7- dibromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]benzohydrazide
Smiles: Brc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1)/C(=O)N2

STK028034
Synonyms: (3S)- 14,16- dihydroxy- 3- methyl- 3,4,5,6,9,10,11,12- octahydro- 1H- 2- benzoxacyclotetradecine- 1,7(8H)- dione
Smiles: C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O

STK028042
Synonyms: 7- [3- (4- bromophenoxy)- 2- hydroxypropyl]- 3- methyl- 8- (methylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)[nH]c(=O)n2C

STK028045
Synonyms: 4- {(E)- [(2Z)- (6- ethoxy- 3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)hydrazinylidene]methyl}benzonitrile
Smiles: CCOc1ccc2c(c1)s/c(=N\N=C\c1ccc(cc1)C#N)/n2C

STK028058
Synonyms: 2- chloro- 5- ({[(3,4,5- trimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK028063
Synonyms: 2,3- dihydro- 1,4- benzodioxin- 6- yl(phenyl)methanol
Smiles: OC(c1ccc2c(c1)OCCO2)c1ccccc1

STK028065
Synonyms: (10E)- 10- (5- bromo- 2- hydroxybenzylidene)- 7- (3- nitrophenyl)- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: Brc1ccc(c(c1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])CCc1c3cccc1)O

STK028072
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- [(5- methylfuran- 2- yl)methyl]butanediamide
Smiles: O=C(CCC(=O)NCc1ccc(o1)C)NCCC1=CCCCC1

STK028082
Synonyms: N- (3- chloropropyl)- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: ClCCCNC(=O)CN1C(=O)c2c(C1=O)cccc2

STK028094
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]- 3- ethoxy- 5- iodobenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1ccc(cc1)Cl)I)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK028098
Synonyms: 3- chloro- N- (6- methylpyridin- 2- yl)benzamide
Smiles: Cc1cccc(n1)NC(=O)c1cccc(c1)Cl

STK028099
Synonyms: 1- benzyl- 3,7- dimethyl- 8- (3- methylphenoxy)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1cccc(c1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1

STK028105
Synonyms: 2- [(2E)- 2- (1- carbamothioyl- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene)hydrazinyl]benzamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2ccccc2C(=O)N)/C1=O)c1ccccc1

STK028109
Synonyms: 3- ({[(2- chlorophenyl)sulfonyl]carbamoyl}amino)- N,N- dimethyl- 4- (2- oxopyrrolidin- 1- yl)benzenesulfonamide
Smiles: O=C(NS(=O)(=O)c1ccccc1Cl)Nc1cc(ccc1N1CCCC1=O)S(=O)(=O)N(C)C

STK028111
Synonyms: 2- chloro- N'- (5,5- dimethyl- 3- oxocyclohex- 1- en- 1- yl)benzohydrazide
Smiles: O=C1C=C(NNC(=O)c2ccccc2Cl)CC(C1)(C)C

STK028113
Synonyms: 3- chloro- N- {4- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}- 1- benzothiophene- 2- carboxamide
Smiles: CC(c1ccc2c(c1)nc(o2)c1ccc(cc1)NC(=O)c1sc2c(c1Cl)cccc2)C

STK028117
Synonyms: (2E)- 2- {3- chloro- 5- methoxy- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
Smiles: COc1cc(/C=N/NC(=O)N)cc(c1OCCOc1ccccc1OC)Cl

STK028118
Synonyms: 2- {[2- (4,5- dimethoxy- 2- methylphenyl)- 2- oxoethyl]sulfanyl}- 3- phenyl- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: COc1cc(C(=O)CSC2Nc3sc4c(c3C(=O)N2c2ccccc2)CCCC4)c(cc1OC)C

STK028128
Synonyms: [3- (acetyloxy)- 3- (9H- fluoren- 2- yl)propyl](chloro)mercury
Smiles: Cl[Hg]CCC(c1ccc2c(c1)Cc1c2cccc1)OC(=O)C

STK028131
Synonyms: 2,4- dichloro- N'- {[(4- chlorophenoxy)acetyl]oxy}benzenecarboximidamide
Smiles: O=C(O/N=C(/c1ccc(cc1Cl)Cl)\N)COc1ccc(cc1)Cl

STK028132
Synonyms: 2- (1- phenylethyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CC(N1C(=O)c2c(C1=O)cccc2)c1ccccc1

STK028133
Synonyms: (2Z,3E)- 2- (hydroxyimino)- N- phenyl- 3- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]butanamide
Smiles: O/N=C(/C(=N/NC(=O)c1ccncc1)/C)\C(=O)Nc1ccccc1

STK028148
Synonyms: N- {5- [(2,6- dichlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}acetamide
Smiles: CC(=O)Nc1nnc(s1)SCc1c(Cl)cccc1Cl

STK028166
Synonyms: 2- amino- 5- methyl- 4,5,6,7- tetrahydrothieno[3,2- c]pyridine- 3- carbonitrile
Smiles: N#Cc1c(N)sc2c1CN(C)CC2

STK028182
Synonyms: 5- [(6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- yl)sulfanyl]- 1,3,4- thiadiazole- 2- thiol
Smiles: Cc1cn2c(n1)sc(n2)Sc1nnc(s1)S

STK028189
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3- (ethylsulfanyl)- 3,3- bis(4- fluorophenyl)propanoicacid
Smiles: CCSC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccc(cc1)F)c1ccc(cc1)F

STK028197
Synonyms: 2- {[3- methyl- 2,6- dioxo- 7- (2- phenylethyl)- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]sulfanyl}butanoicacid
Smiles: CCC(C(=O)O)Sc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

STK028216
Synonyms: N- benzyl- 3- iodo- N- methylbenzamide
Smiles: Ic1cccc(c1)C(=O)N(Cc1ccccc1)C

STK028219
Synonyms: 4- bromo- N- (quinolin- 3- yl)benzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1cnc2c(c1)cccc2

STK028240
Synonyms: 1- [2- (1,3- benzodioxol- 5- yl)- 1- hydroxy- 4- methyl- 1H- imidazol- 5- yl]ethanone
Smiles: CC(=O)c1c(C)nc(n1O)c1ccc2c(c1)OCO2

STK028247
Synonyms: 4- methyl- N- [(E)- (2- methylphenyl)methylidene]- 3- nitroaniline
Smiles: Cc1ccccc1/C=N/c1ccc(c(c1)[N+](=O)[O-])C

STK028253
Synonyms: ethyl4- {[2- (4- nitrophenyl)imidazo[1,2- a]pyridin- 3- yl]methyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1c(nc2n1cccc2)c1ccc(cc1)[N+](=O)[O-]

STK028268
Synonyms: (2Z)- 6- chloro- 2- [(3- methoxyphenyl)imino]- N- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]- 2H- chromene- 3- carboxamide
Smiles: COc1cccc(c1)/N=c/1\oc2ccc(cc2cc1C(=O)Nc1scc(n1)c1ccc2c(c1)cccc2)Cl

STK028272
Synonyms: N- [3- (1,3- benzothiazol- 2- yl)phenyl]propanamide
Smiles: CCC(=O)Nc1cccc(c1)c1nc2c(s1)cccc2

STK028291
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]pyridine- 2- carboxamide
Smiles: O=C(c1ccccn1)NCCC1=CCCCC1

STK028294
Synonyms: 4- {[(2- {[(2,4- dimethylphenoxy)acetyl]amino}phenyl)carbonyl]amino}benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)Nc1ccc(cc1)C(=O)O)COc1ccc(cc1C)C

STK028312
Synonyms: N- ethyl- N- (naphthalen- 1- ylmethyl)ethanamine
Smiles: CCN(Cc1cccc2c1cccc2)CC

STK028345
Synonyms: N- (1H- benzimidazol- 2- ylmethyl)- 3,4- dichlorobenzenesulfonamide
Smiles: Clc1ccc(cc1Cl)S(=O)(=O)NCc1nc2c([nH]1)cccc2

STK028352
Synonyms: (2E)- 3- (1H- indol- 3- yl)- 1- (naphthalen- 1- yl)prop- 2- en- 1- one
Smiles: O=C(c1cccc2c1cccc2)/C=C/c1c[nH]c2c1cccc2

STK028361
Synonyms: 3- (3- hydroxyphenyl)- 2- [(Z)- (2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: Oc1cccc(c1)n1c(/C=C/2\C(=O)Nc3c2cccc3)nc2c(c1=O)cccc2

STK028378
Synonyms: 2- [(butoxymethyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCOCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK028384
Synonyms: 2- methoxy- 4- {(E)- [(3- methoxyphenyl)imino]methyl}phenol
Smiles: COc1cccc(c1)/N=C/c1ccc(c(c1)OC)O

STK028390
Synonyms: 2- bromo- N'- [(1E)- 1- (6- methoxy- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: COc1ccc2c(c1)cc(c(=O)o2)/C(=N/NC(=O)c1ccccc1Br)/C

STK028392
Synonyms: 2- {[(2- methylphenyl)carbonyl]amino}- N- (naphthalen- 1- yl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1ccccc1C)Nc1cccc2c1cccc2

STK028400
Synonyms: 4- oxo- 4- [(2- phenylethyl)amino]butanoicacid
Smiles: O=C(CCC(=O)O)NCCc1ccccc1

STK028412
Synonyms: N- [3- (1,3- benzothiazol- 2- yl)phenyl]- 2- (2- methylphenoxy)acetamide
Smiles: O=C(Nc1cccc(c1)c1nc2c(s1)cccc2)COc1ccccc1C

STK028418
Synonyms: 4- [(tetrahydrofuran- 2- ylmethyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)NCC1CCCO1

STK028422
Synonyms: sodium5- [(2- chlorophenyl)amino]- 3- methyl- 2- (2- methylpropyl)- 5- oxopentanoate
Smiles: [Na]OC(=O)C(C(CC(=O)Nc1ccccc1Cl)C)CC(C)C

STK028424
Synonyms: 1,4- dibenzylpiperidine
Smiles: c1ccc(cc1)CC1CCN(CC1)Cc1ccccc1

STK028440
Synonyms: N,N- diethyl- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: CCN(C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])CC

STK028482
Synonyms: methyl[(6- ethyl- 4- oxo- 3- phenyl- 1,2,3,4- tetrahydrothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSC1Nc2sc(cc2C(=O)N1c1ccccc1)CC

STK028487
Synonyms: N- (5- bromopyridin- 2- yl)thiophene- 2- carboxamide
Smiles: Brc1ccc(nc1)NC(=O)c1cccs1

STK028516
Synonyms: 3- [(3- butyl- 8- methoxy- 2- methylquinolin- 4- yl)sulfanyl]propanoicacid
Smiles: CCCCc1c(C)nc2c(c1SCCC(=O)O)cccc2OC

STK028529
Synonyms: 5- [(4- benzylpiperazin- 1- yl)methyl]- 6- phenylimidazo[2,1- b][1,3]thiazole
Smiles: c1ccc(cc1)CN1CCN(CC1)Cc1c(nc2n1ccs2)c1ccccc1

STK028547
Synonyms: 1- (2- chloro- 6- fluorobenzyl)- 3,7- dimethyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1Cn1c(=O)c2n(C)c(nc2n(c1=O)C)N1CCCCC1)Cl

STK028566
Synonyms: N- (3- methylbutyl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: CC(CCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)C

STK028616
Synonyms: methyl[(4- oxo- 3- phenyl- 1,2,3,4,5,6,7,8- octahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: COC(=O)CSC1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3

STK028664
Synonyms: 2- nitro- N- [4- (phenylcarbonyl)phenyl]benzenesulfonamide
Smiles: O=C(c1ccccc1)c1ccc(cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

STK028686
Synonyms: 5- bromo- N- (6- methoxy- 1,3- benzothiazol- 2- yl)naphthalene- 1- carboxamide
Smiles: COc1ccc2c(c1)sc(n2)NC(=O)c1cccc2c1cccc2Br

STK028697
Synonyms: [(2- oxoazepan- 1- yl)methyl]phosphonicacid
Smiles: O=C1CCCCCN1CP(=O)(O)O

STK028719
Synonyms: 2,3,7,8,12,13- hexahydro- 1H,6H,11H- triscyclopenta[3,4]pyrazolo[1,5- a:1',5'- c:1'',5''- e][1,3,5]triazine
Smiles: C1Cc2c(C1)c1n(n2)c2c3CCCc3nn2c2n1nc1c2CCC1

STK028720
Synonyms: 2,2- diphenyl- N- (pyridin- 2- ylcarbamothioyl)acetamide
Smiles: S=C(NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccn1

STK028723
Synonyms: N'~2~- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]- N'~6~- [(E)- (3- hydroxynaphthalen- 2- yl)methylidene]pyridine- 2,6- dicarbohydrazide
Smiles: O=C(c1cccc(n1)C(=O)N/N=C/c1c(O)ccc2c1cccc2)N/N=C/c1cc2ccccc2cc1O

STK028743
Synonyms: N- [5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 1- phenyl- 1H- 1,2,4- triazol- 3- yl]benzamide
Smiles: O=C(c1ccccc1)Nc1nn(c(n1)N1C(=O)c2c(C1=O)cccc2)c1ccccc1

STK028753
Synonyms: (5Z)- 2- (4- benzylpiperidin- 1- yl)- 5- (4- bromobenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: Brc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCC(CC1)Cc1ccccc1

STK028796
Synonyms: 7H- spiro[benzo[h]tetrazolo[1,5- a]quinazoline- 6,1'- cyclopentan]- 5- amine
Smiles: Nc1nc2nnnn2c2c1C1(CCCC1)Cc1c2cccc1

STK028797
Synonyms: methyl4- {2- [(2,5- dichlorophenoxy)acetyl]hydrazinyl}- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)NNC(=O)COc1cc(Cl)ccc1Cl

STK028801
Synonyms: (2Z)- 6- chloro- 2- (methylimino)- 2H- chromene- 3- carboxamide
Smiles: C/N=c/1\oc2ccc(cc2cc1C(=O)N)Cl

STK028806
Synonyms: N- butyl- 1- (3- phenylpropyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)CCCc1ccccc1

STK028814
Synonyms: N- (4- acetylphenyl)- 2- {[4- methyl- 5- (naphthalen- 1- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}butanamide
Smiles: CCC(C(=O)Nc1ccc(cc1)C(=O)C)Sc1nnc(n1C)Cc1cccc2c1cccc2

STK028832
Synonyms: N- benzyl- N- (propan- 2- yl)tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: CC(N(C(=O)C12CC3CC(C2)CC(C1)C3)Cc1ccccc1)C

STK028848
Synonyms: [4- (biphenyl- 4- yl)- 2- phenyl- 1,3- thiazol- 5- yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)c1ccccc1)c1ccccc1

STK028856
Synonyms: 3- [(2- chloro- 4- nitrophenyl)amino]propan- 1- ol
Smiles: OCCCNc1ccc(cc1Cl)[N+](=O)[O-]

STK028881
Synonyms: diphenyl[1- (pyridin- 3- ylmethyl)piperidin- 4- yl]methanol
Smiles: OC(c1ccccc1)(c1ccccc1)C1CCN(CC1)Cc1cccnc1

STK028887
Synonyms: N- (3- cyano- 4,6- diphenylpyridin- 2- yl)- N- phenylbenzamide
Smiles: N#Cc1c(cc(nc1N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK028888
Synonyms: 5- (4- ethoxyphenyl)- 1- phenyl- 6- (thiophen- 2- yl)- 1,5- dihydro- 4H- pyrazolo[3,4- d]pyrimidin- 4- one
Smiles: CCOc1ccc(cc1)n1c(nc2c(c1=O)cnn2c1ccccc1)c1cccs1

STK028890
Synonyms: (4E)- 4- [2- (4- methoxyphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: COc1ccc(cc1)N/N=C\1/C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N

STK028893
Synonyms: 3- (4- methylbenzyl)- 4- [(4- nitrophenyl)amino]- 4- oxobutanoicacid
Smiles: OC(=O)CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)C

STK028930
Synonyms: (2E)- 2- cyano- 3- {3,5- dichloro- 2- [(2- chlorobenzyl)oxy]phenyl}- N- (2- methylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cc(Cl)cc(c1OCc1ccccc1Cl)Cl)/C(=O)Nc1ccccc1C

STK028974
Synonyms: 1- [4- (benzyloxy)benzyl]pyrrolidine
Smiles: C1CCN(C1)Cc1ccc(cc1)OCc1ccccc1

STK028978
Synonyms: 1- [2- (4- ethyl- 2- methyl- 5- oxotetrahydrofuran- 2- yl)- 2- oxoethyl]- 1,2- dihydropyridazine- 3,6- dione(non- preferredname)
Smiles: CCC1CC(OC1=O)(C)C(=O)Cn1[nH]c(=O)ccc1=O

STK028995
Synonyms: N- {2- [(3- acetylphenyl)amino]- 4'- methyl- 4,5'- bi- 1,3- thiazol- 2'- yl}acetamide
Smiles: CC(=O)Nc1sc(c(n1)C)c1csc(n1)Nc1cccc(c1)C(=O)C

STK029008
Synonyms: N- tert- butyl- 1- (2- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)Cc1ccccc1O)NC(C)(C)C

STK029069
Synonyms: N- {3- [(4- nitrophenyl)amino]propyl}methanesulfonamide
Smiles: [O-][N+](=O)c1ccc(cc1)NCCCNS(=O)(=O)C

STK029088
Synonyms: 4- methoxy- N- [4- oxo- 2- (phenoxymethyl)quinazolin- 3(4H)- yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nn1c(COc2ccccc2)nc2c(c1=O)cccc2

STK029108
Synonyms: 3- (dimethylamino)- 1- [4- (octylsulfanyl)phenyl]propan- 1- one
Smiles: CCCCCCCCSc1ccc(cc1)C(=O)CCN(C)C

STK029149
Synonyms: 2- [(E)- {[4- (1,3- benzoxazol- 2- yl)phenyl]imino}methyl]- 6- methyl- 4- nitrophenol
Smiles: Cc1cc(cc(c1O)/C=N/c1ccc(cc1)c1nc2c(o1)cccc2)[N+](=O)[O-]

STK029159
Synonyms: 5- (methoxymethyl)quinolin- 8- ol
Smiles: COCc1ccc(c2c1cccn2)O

STK029169
Synonyms: (2Z)- 2- (2- methoxybenzylidene)- 6,7- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidin- 3(2H)- one
Smiles: COc1ccccc1/C=c/1\sc2=NCCCn2c1=O

STK029184
Synonyms: 3- {[(5- bromopyridin- 3- yl)carbonyl]amino}benzoicacid
Smiles: Brc1cncc(c1)C(=O)Nc1cccc(c1)C(=O)O

STK029186
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- N'- (4- nitrophenyl)butanediamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK029196
Synonyms: 4- {(E)- [2- (1,3- benzothiazol- 2- yl)hydrazinylidene]methyl}benzonitrile
Smiles: N#Cc1ccc(cc1)/C=N/Nc1nc2c(s1)cccc2

STK029214
Synonyms: 2- (4- chlorophenyl)- 5- (4- ethylphenyl)- 1,3,4- thiadiazole
Smiles: CCc1ccc(cc1)c1nnc(s1)c1ccc(cc1)Cl

STK029252
Synonyms: ethyl2- {[(E)- (2- chloro- 5- nitrophenyl)methylidene]amino}- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(ccc2Cl)[N+](=O)[O-])sc2c1CCC(C2)C

STK029268
Synonyms: 3- methyl- N- {[4- (morpholin- 4- yl)phenyl]carbamothioyl}butanamide
Smiles: CC(CC(=O)NC(=S)Nc1ccc(cc1)N1CCOCC1)C

STK029283
Synonyms: 3- [(E)- {2- [5- (trifluoromethyl)pyridin- 2- yl]hydrazinylidene}methyl]- 1H- indole
Smiles: FC(c1ccc(nc1)N/N=C/c1c[nH]c2c1cccc2)(F)F

STK029306
Synonyms: (6Z)- 6- {3- bromo- 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)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK029314
Synonyms: 2- iodo- N- {[3- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccccc1I)Nc1cccc(c1)c1nc2c(o1)cccn2

STK029326
Synonyms: 7- iodo- 6- phenyl- 6- {[(2E)- 3- phenylprop- 2- en- 1- yl]oxy}bicyclo[3.1.1]heptane
Smiles: IC1C2CCCC1C2(OC/C=C/c1ccccc1)c1ccccc1

STK029333
Synonyms: 8- {[3- nitro- 1- (prop- 2- en- 1- yl)- 1H- 1,2,4- triazol- 5- yl]sulfanyl}quinoline
Smiles: C=CCn1nc(nc1Sc1cccc2c1nccc2)[N+](=O)[O-]

STK029335
Synonyms: 5- {[(3- fluorophenyl)carbonyl]amino}- 1- phenyl- N- propyl- 1H- pyrazole- 4- carboxamide
Smiles: CCCNC(=O)c1cnn(c1NC(=O)c1cccc(c1)F)c1ccccc1

STK029348
Synonyms: N,N- diethyl- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanamide
Smiles: CCN(C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)CC

STK029362
Synonyms: N- (2- amino- 2- oxoethyl)- N'- [(5- methylfuran- 2- yl)methyl]butanediamide
Smiles: Cc1ccc(o1)CNC(=O)CCC(=O)NCC(=O)N

STK029385
Synonyms: (4E)- 2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 4- [2- (2- hydroxy- 4- methylphenyl)hydrazinylidene]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Clc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(cc2O)C)/C1=O)C

STK029402
Synonyms: ethyl4- {[2- (2,3- dimethylcyclohexyl)- 3- oxo- 2,3- dihydro- 1H- isoindol- 1- yl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC1c2ccccc2C(=O)N1C1CCCC(C1C)C

STK029405
Synonyms: (2Z)- 2- ({1- [2- (3,5- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1cc(OCCn2cc(c3c2cccc3)/C=c/2\sc3n(c2=O)c2c(n3)cccc2)cc(c1)C

STK029423
Synonyms: 2,8- dimethyl- 6H,12H- 5,11- methanodibenzo[b,f][1,5]diazocine
Smiles: Cc1ccc2c(c1)CN1CN2Cc2c1ccc(c2)C

STK029426
Synonyms: [2- (2- fluoro- 5- nitrophenyl)hydrazinylidene]propanedinitrile
Smiles: N#CC(=NNc1cc(ccc1F)[N+](=O)[O-])C#N

STK029428
Synonyms: (5E)- 1- (3- bromophenyl)- 5- (4- hydroxybenzylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Oc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)Br

STK029461
Synonyms: [3- amino- 6- phenyl- 4- (trifluoromethyl)thieno[2,3- b]pyridin- 2- yl](phenyl)methanone
Smiles: O=C(c1sc2c(c1N)c(cc(n2)c1ccccc1)C(F)(F)F)c1ccccc1

STK029472
Synonyms: (5Z)- 2- amino- 5- {[1- (butan- 2- yl)- 1H- indol- 3- yl]methylidene}- 4,6- dimethyl- 5H- cyclopenta[b]pyridine- 3,7- dicarbonitrile
Smiles: CCC(n1cc(c2c1cccc2)/C=C\1/C(=C(c2c1c(C)c(c(n2)N)C#N)C#N)C)C

STK029497
Synonyms: 7- (4- methoxybenzyl)- 1,3- dimethyl- 8- phenoxy- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)Cn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

STK029503
Synonyms: (4Z)- 4- [2- (1,3- benzothiazol- 2- yl)hydrazinylidene]- 5- oxo- 3- phenyl- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2nc3c(s2)cccc3)/C1=O)c1ccccc1

STK029542
Synonyms: (5E)- 5- {3- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CN1C(=S)S/C(=C/c2cccc(c2)OCCOc2ccc(cc2)C2CCCCC2)/C1=O

STK029546
Synonyms: 2- (2- methyl- 4,5- dihydropyrrolo[3,2,1- hi]indol- 1- yl)ethanamine
Smiles: NCCc1c(C)n2c3c1cccc3CC2

STK029550
Synonyms: (3S,4R)- 1- benzyl- 3- phenylpiperidine- 4- carboxylicacid
Smiles: OC(=O)[C@@H]1CCN(C[C@@H]1c1ccccc1)Cc1ccccc1

STK029592
Synonyms: N- (4,5- diphenyl- 1,3- oxazol- 2- yl)- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1nc(c(o1)c1ccccc1)c1ccccc1

STK029613
Synonyms: N- (3,5- dimethyl- 4H- 1,2,4- triazol- 4- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nn1c(C)nnc1C

STK029714
Synonyms: N- [4- (1,3- benzoxazol- 2- yl)phenyl]- 1- benzofuran- 2- carboxamide
Smiles: O=C(c1oc2c(c1)cccc2)Nc1ccc(cc1)c1oc2c(n1)cccc2

STK029745
Synonyms: N- [4- (2- phenylethoxy)phenyl]- N'- (thiophen- 2- ylmethyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCc1ccccc1)CCC(=O)NCc1cccs1

STK029771
Synonyms: (2Z)- 4- {[1- (3,4- dimethoxyphenyl)- 2- methoxy- 2- oxoethyl]amino}- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: COC(=O)C(c1ccc(c(c1)OC)OC)NC(=O)/C(=C(\C(=O)O)/C)/C

STK029772
Synonyms: N- {1- [2- (morpholin- 4- yl)ethyl]- 1H- benzimidazol- 2- yl}cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)Nc1nc2c(n1CCN1CCOCC1)cccc2

STK029784
Synonyms: 4- (tert- butylcarbamoyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)NC(C)(C)C

STK029791
Synonyms: 1- (morpholin- 4- yl)- 2- (5- nitro- 1H- benzimidazol- 1- yl)ethanone
Smiles: O=C(N1CCOCC1)Cn1cnc2c1ccc(c2)[N+](=O)[O-]

STK029792
Synonyms: N- (4- methoxyphenyl)- 2- [(trifluoroacetyl)amino]- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)C(F)(F)F

STK029795
Synonyms: 3- [5- (pyridin- 4- yl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: n1ccc(cc1)c1onc(n1)c1cccnc1

STK029803
Synonyms: ethyl(2Z)- 5- (4- methoxyphenyl)- 7- methyl- 2- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}- 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)OC)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/s2

STK029810
Synonyms: methyl5- ({[5- (4- chlorophenyl)furan- 2- yl]carbonyl}amino)- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(o1)c1ccc(cc1)Cl

STK029825
Synonyms: 1- (azepan- 1- yl)- 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCCCCC1

STK029828
Synonyms: 9- (4- hydroxy- 3- methoxyphenyl)- 3,3,6,6- tetramethyl- 10- (4- methylphenyl)decahydroacridine- 1,8(2H,5H)- dione
Smiles: COc1cc(ccc1O)C1C2C(=O)CC(CC2N(C2C1C(=O)CC(C2)(C)C)c1ccc(cc1)C)(C)C

STK029838
Synonyms: 3,3'- {(2- nitrobenzene- 1,4- diyl)bis[nitrilo(E)methylylidene]}dibenzene- 1,2- diol
Smiles: [O-][N+](=O)c1cc(/N=C/c2cccc(c2O)O)ccc1/N=C/c1cccc(c1O)O

STK029867
Synonyms: 2- (4- {[1,3- dioxo- 2- (1,3- thiazol- 2- yl)- 2,3- dihydro- 1H- isoindol- 5- yl]oxy}phenyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1nccs1

STK029884
Synonyms: ethyl(2Z)- 2- {[1- (2- cyanobenzyl)- 2- methyl- 1H- indol- 3- yl]methylidene}- 7- methyl- 3- oxo- 5- (thiophen- 2- yl)- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c(C)n(c3c1cccc3)Cc1ccccc1C#N)/s2

STK029887
Synonyms: N- {4- [(4- butylphenyl)amino]- 9,10- dioxo- 9,10- dihydroanthracen- 1- yl}benzamide
Smiles: CCCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1

STK029909
Synonyms: (6Z)- 6- (5- bromo- 2- methoxybenzylidene)- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1)Br

STK029922
Synonyms: 4- {[2- (morpholin- 4- yl)ethyl]carbamoyl}phenylacetate
Smiles: O=C(c1ccc(cc1)OC(=O)C)NCCN1CCOCC1

STK029957
Synonyms: 2- ethoxy- 4- [(Z)- (2- ethyl- 5- imino- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene)methyl]phenyl2- nitrobenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC

STK029959
Synonyms: 4- [3- (4- methoxybenzyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: COc1ccc(cc1)Cc1noc(n1)c1ccncc1

STK029968
Synonyms: 2- {(2E)- 2- [4- (dimethylamino)benzylidene]hydrazinyl}- 3,6,6- trimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CN(c1ccc(cc1)/C=N/Nc1nc2sc3c(c2c(=O)n1C)CC(OC3)(C)C)C

STK029970
Synonyms: 4,6- bis[1,1,1,3,3,3- hexafluoro- 2- (trifluoromethyl)propan- 2- yl]- N- (prop- 2- en- 1- yl)- 1,3,5- triazin- 2- amine
Smiles: C=CCNc1nc(nc(n1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F

STK029977
Synonyms: (4E)- 4- [2- (4- fluorophenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Fc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK029988
Synonyms: 4- methyl- 2- [(E)- 2- (5- methylfuran- 2- yl)ethenyl]furan
Smiles: Cc1coc(c1)/C=C/c1ccc(o1)C

STK029994
Synonyms: 5- benzyl- 8- methoxy- 3- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1n2Cc1ccccc1)C

STK029995
Synonyms: 4- [2- (4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)hydrazinyl]- N- (4- ethoxyphenyl)benzenesulfonamide
Smiles: CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NN=C1C(=O)NC(=S)NC1=O

STK030002
Synonyms: N- (2- chlorophenyl)- 2,6- dimethoxybenzamide
Smiles: COc1cccc(c1C(=O)Nc1ccccc1Cl)OC

STK030017
Synonyms: 2,8- dimethyl- N- (2- methylphenyl)- 1,2,3,4- tetrahydroquinolin- 4- amine
Smiles: CC1CC(Nc2ccccc2C)c2c(N1)c(C)ccc2

STK030018
Synonyms: 4- (4- bromophenyl)- N- (4- chlorophenyl)- 4- hydroxypiperidine- 1- carbothioamide
Smiles: Clc1ccc(cc1)NC(=S)N1CCC(CC1)(O)c1ccc(cc1)Br

STK030045
Synonyms: N- [(5- bromopyridin- 2- yl)carbamothioyl]- 2- nitrobenzamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(cn1)Br

STK030047
Synonyms: N- [4- (acetylamino)phenyl]- 2- methylbenzamide
Smiles: CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1C

STK030063
Synonyms: 2- (4- methoxyphenyl)- 6- nitroquinoline- 4- carboxylicacid
Smiles: COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)[N+](=O)[O-]

STK030081
Synonyms: [1,2,5]oxadiazolo[3,4- f]cinnoline3- oxide
Smiles: [O-][n+]1onc2c1ccc1c2ccnn1

STK030098
Synonyms: 1,3- dioxo- 2- [3- (phenylcarbonyl)phenyl]- N- (1,3- thiazol- 2- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)c1ccccc1)Nc1nccs1

STK030110
Synonyms: 5- acetyl- 6- methyl- 4- (2- methylpropyl)- 2- (methylsulfanyl)- 1,4- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SC)NC(=C(C1CC(C)C)C(=O)C)C

STK030113
Synonyms: N- (5,7- diphenyl- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)- 4- fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1nc2n(n1)C(C=C(N2)c1ccccc1)c1ccccc1

STK030119
Synonyms: N- benzyl- N- ethylacetamide
Smiles: CCN(C(=O)C)Cc1ccccc1

STK030135
Synonyms: (5Z)- 4- amino- 5- benzylidene- 6- imino- 1- (4- methoxyphenyl)- 2- oxo- 1,2,5,6- tetrahydropyridine- 3- carbonitrile
Smiles: N#CC1=C(N)/C(=C/c2ccccc2)/C(=N)N(C1=O)c1ccc(cc1)OC

STK030163
Synonyms: N,N- diethyl- 1- [(4- methoxynaphthalen- 1- yl)methyl]piperidine- 3- carboxamide
Smiles: CCN(C(=O)C1CCCN(C1)Cc1ccc(c2c1cccc2)OC)CC

STK030165
Synonyms: 3- (4- bromophenyl)- 5- (4- butoxyphenyl)- 1,2,4- oxadiazole
Smiles: CCCCOc1ccc(cc1)c1onc(n1)c1ccc(cc1)Br

STK030180
Synonyms: [1- (prop- 2- en- 1- yl)- 1H- pyrazol- 4- yl]methanol
Smiles: OCc1cn(nc1)CC=C

STK030198
Synonyms: 8- methyl[1,2,5]oxadiazolo[3,4- f]cinnoline
Smiles: Cc1nnc2c(c1)c1nonc1cc2

STK030223
Synonyms: N- [(2,4- dimethylphenyl)carbamothioyl]- 3- methylbutanamide
Smiles: CC(CC(=O)NC(=S)Nc1ccc(cc1C)C)C

STK030265
Synonyms: 3- methyl- N'- [(2E)- 3- (4- methylphenyl)prop- 2- enoyl]benzohydrazide
Smiles: O=C(NNC(=O)c1cccc(c1)C)/C=C/c1ccc(cc1)C

STK030267
Synonyms: N- (2- amino- 2- oxoethyl)- N'- (4- cyanophenyl)butanediamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)NCC(=O)N

STK030268
Synonyms: N- (4- {[(E)- (2- methyl- 1H- indol- 3- yl)methylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=C/c1c(C)[nH]c2c1cccc2

STK030283
Synonyms: (4E)- 4- [2- (4- methoxy- 2- nitrophenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N

STK030288
Synonyms: 2- [(4,6- dioxo- 5- phenyl- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSC1=NC(=O)C(C(=O)N1)c1ccccc1

STK030312
Synonyms: tert- butyl2- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)hydrazinecarboxylate
Smiles: O=C1NC(=O)C(=NNC(=O)OC(C)(C)C)C(=O)N1

STK030314
Synonyms: 2- (4- tert- butylphenoxy)- 1- (3- phenylpyrrolidin- 1- yl)ethanone
Smiles: O=C(N1CCC(C1)c1ccccc1)COc1ccc(cc1)C(C)(C)C

STK030336
Synonyms: N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}- 1H- pyrazole- 3- carbohydrazide
Smiles: Oc1c(/C=N/NC(=O)c2cc[nH]n2)cccc1CC=C

STK030353
Synonyms: N- (2- amino- 2- oxoethyl)- N'- [4- (2- cyclohexylethoxy)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCC1CCCCC1)CCC(=O)NCC(=O)N

STK030372
Synonyms: (4- {[(E)- naphthalen- 1- ylmethylidene]amino}phenyl)(phenyl)methanone
Smiles: O=C(c1ccccc1)c1ccc(cc1)/N=C/c1cccc2c1cccc2

STK030377
Synonyms: 2- (furan- 2- yl)- 7- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CC1CCc2c(C1)sc1c2c(=O)[nH]c(n1)c1ccco1

STK030384
Synonyms: 2- bromo- N'- {(1E)- 1- [7- (diethylamino)- 2- oxo- 2H- chromen- 3- yl]ethylidene}benzohydrazide
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)/C(=N/NC(=O)c1ccccc1Br)/C)CC

STK030436
Synonyms: 5- bromo- 2- chloro- N- {[2- (trifluoromethyl)phenyl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1C(F)(F)F

STK030438
Synonyms: 3- (2- bromophenyl)- 5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(ccc1OC)c1onc(n1)c1ccccc1Br

STK030454
Synonyms: N- (4- chlorobutyl)anilinium
Smiles: ClCCCC[NH2+]c1ccccc1

STK030456
Synonyms: (6Z)- 6- {3- [3- (4- chlorophenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)OCCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK030472
Synonyms: N- [(4- butylphenyl)carbamothioyl]- 2- iodobenzamide
Smiles: CCCCc1ccc(cc1)NC(=S)NC(=O)c1ccccc1I

STK030476
Synonyms: N- [(3- chloro- 2- methylphenyl)carbamothioyl]- 2- fluorobenzamide
Smiles: S=C(Nc1cccc(c1C)Cl)NC(=O)c1ccccc1F

STK030486
Synonyms: N- {3- [(2- methylphenyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}pyridine- 3- carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1cccnc1)Nc1ccccc1C

STK030488
Synonyms: N- cyclohexyl- N'- (2- nitrophenyl)butanediamide
Smiles: O=C(NC1CCCCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-]

STK030490
Synonyms: 2,2- dimethyl- 5- (7- methyl- 5- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 2- yl)- 1,3- dioxane- 4,6- dione
Smiles: O=C1OC(C)(C)OC(=O)C1c1nn2c(s1)nc(cc2=O)C

STK030494
Synonyms: 4- methyl- 4- (tritylperoxy)pent- 2- yn- 1- yloctadecanoate
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC#CC(OOC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C

STK030513
Synonyms: 4- hydroxy- N'- [(1E)- 1- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)ethylidene]- 2- oxo- 1- propyl- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CCCn1c(=O)c(C(=O)N/N=C(/c2c(=O)[nH]c3c(c2O)cccc3)\C)c(c2c1cccc2)O

STK030518
Synonyms: 7- {4- [(2- chlorobenzyl)oxy]- 3- methoxyphenyl}- 5- (4- chlorophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cc(ccc1OCc1ccccc1Cl)C1C=C(Nc2n1nnn2)c1ccc(cc1)Cl

STK030519
Synonyms: 2- [(4,6- dimethylpyrimidin- 2- yl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1CSC(=N1)Nc1nc(C)cc(n1)C

STK030522
Synonyms: 3,4- dimethyl- 3- phenylpyrrolidine- 2,5- dione
Smiles: CC1C(=O)NC(=O)C1(C)c1ccccc1

STK030540
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK030553
Synonyms: 2- [(4- bromophenyl)amino]- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: N#Cc1c(Nc2ccc(cc2)Br)nc(cc1c1ccccc1)c1ccccc1

STK030565
Synonyms: N- (2,4- dimethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)C12CC3CC(C2)CC(C1)C3

STK030566
Synonyms: 4- imino- N- (phenylcarbonothioyl)- 2- thioxo- 1,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidine- 3(2H)- carboxamide
Smiles: S=C(c1ccccc1)NC(=O)n1c(=S)[nH]c2c(c1=N)c1CCCCc1s2

STK030587
Synonyms: 4- ({[4- (hexyloxy)phenyl]carbonyl}oxy)benzoicacid
Smiles: CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O

STK030598
Synonyms: N- [(3- acetylphenyl)carbamothioyl]- 2- (4- chloro- 2- methylphenoxy)acetamide
Smiles: O=C(NC(=S)Nc1cccc(c1)C(=O)C)COc1ccc(cc1C)Cl

STK030636
Synonyms: 1- {(E)- amino[(4,6- dimethylquinazolin- 2- yl)amino]methylidene}- 3- (3- chlorophenyl)urea
Smiles: Cc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)Nc1cccc(c1)Cl)/N

STK030638
Synonyms: (2Z)- 6,8- dibromo- 2- [(2,3- dimethylphenyl)imino]- N- (5- ethyl- 4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: CCc1sc(nc1c1ccccc1)NC(=O)c1cc2cc(Br)cc(c2o/c/1=N\c1cccc(c1C)C)Br

STK030643
Synonyms: 2- (3,4- dimethoxyphenyl)- N- (2- iodophenyl)quinoline- 4- carboxamide
Smiles: COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)Nc1ccccc1I

STK030653
Synonyms: disodium2- {[(dimethylamino)methyl]phosphinato}- 3- (furan- 2- yl)propanoate
Smiles: [Na]OC(=O)C(P(=O)(CN(C)C)O[Na])Cc1ccco1

STK030668
Synonyms: 7- benzyl- 3- methyl- 8- {(2E)- 2- [(2E)- 3- oxo- 2- (3- oxo- 2,3- dihydro- 1H- inden- 1- ylidene)- 2,3- dihydro- 1H- inden- 1- ylidene]hydrazinyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C1c2ccccc2/C(=N\Nc2nc3c(n2Cc2ccccc2)c(=O)[nH]c(=O)n3C)/C/1=C\1/CC(=O)c2c1cccc2

STK030686
Synonyms: 1- (4- ethoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OCC)C

STK030690
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [3- (4- methylphenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCCOc1ccc(cc1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK030701
Synonyms: [4- (2- ethoxyphenyl)piperazin- 1- yl]{1- [(3- methylthiophen- 2- yl)methyl]piperidin- 4- yl}methanone
Smiles: CCOc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)Cc1sccc1C

STK030723
Synonyms: N'- [(E)- {5- chloro- 2- [3- (2- methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1ccccc1OCCCOc1ccc(cc1/C=N/NC(=O)C)Cl

STK030752
Synonyms: 2- chloro- N- (4- methylpyridin- 2- yl)- 5- nitrobenzamide
Smiles: Cc1ccnc(c1)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

STK030756
Synonyms: 4- {(Z)- [5- imino- 7- oxo- 2- (propan- 2- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OS(=O)(=O)c1ccccc1)C(C)C

STK030774
Synonyms: (4- {[(3- methylphenyl)carbonyl]amino}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1)NC(=O)c1cccc(c1)C

STK030793
Synonyms: (5Z)- 2- amino- 5- (2- bromo- 5- ethoxy- 4- hydroxybenzylidene)- 4,6- dimethyl- 5H- cyclopenta[b]pyridine- 3,7- dicarbonitrile
Smiles: CCOc1cc(/C=C\2/C(=C(c3c2c(C)c(c(n3)N)C#N)C#N)C)c(cc1O)Br

STK030817
Synonyms: 1,3- dioxo- 2- (2- phenyl- 1,3- benzoxazol- 5- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxylicacid
Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc2c(c1)nc(o2)c1ccccc1

STK030825
Synonyms: 4- {[(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccc(cc1)/N=C/c1cc(Cl)cc(c1O)Cl

STK030835
Synonyms: N- (5- methyl- 1,2- oxazol- 3- yl)- 4- {[(3E)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]amino}benzenesulfonamide
Smiles: Cc1onc(c1)NS(=O)(=O)c1ccc(cc1)/N=C\1/C(=O)Nc2c1cccc2

STK030838
Synonyms: (1E)- N- hydroxy- 1- (2- methyl- 1H- indol- 3- yl)pentan- 1- imine
Smiles: CCCC/C(=N\O)/c1c(C)[nH]c2c1cccc2

STK030853
Synonyms: 8- [(4- methoxybenzyl)oxy]- 1,3,7- trimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)COc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK030854
Synonyms: 4- ({3- [(4- methoxyphenyl)carbamoyl]- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl}amino)- 4- oxobutanoicacid
Smiles: COc1ccc(cc1)NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2

STK030868
Synonyms: ethyl2- [(N,N- dimethylglycyl)amino]- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CCC(C2)C

STK030871
Synonyms: methyl{3- benzyl- 4- oxo- 5- [2- oxo- 2- (phenylamino)ethyl]- 2- thioxoimidazolidin- 1- yl}acetate
Smiles: COC(=O)CN1C(=S)N(C(=O)C1CC(=O)Nc1ccccc1)Cc1ccccc1

STK030876
Synonyms: N- (4- fluorophenyl)- 2- [(4- hydroxyphenyl)carbonyl]hydrazinecarbothioamide
Smiles: S=C(Nc1ccc(cc1)F)NNC(=O)c1ccc(cc1)O

STK030893
Synonyms: 2,6- bis(bromomethyl)pyridine
Smiles: BrCc1cccc(n1)CBr

STK030913
Synonyms: 3- [3- (4- methoxybenzyl)- 1,2,4- oxadiazol- 5- yl]pyridine
Smiles: COc1ccc(cc1)Cc1noc(n1)c1cccnc1

STK030933
Synonyms: 4- chloro- N- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)- N- (4- methoxybenzyl)benzamide
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccccc1)C(=O)c1ccc(cc1)Cl

STK030939
Synonyms: [2- (5- chloro- 2- methoxyphenyl)hydrazinylidene]propanedinitrile
Smiles: COc1ccc(cc1NN=C(C#N)C#N)Cl

STK030969
Synonyms: 2- bromo- 4- nitro- N- [(E)- (2- nitrophenyl)methylidene]aniline
Smiles: Brc1cc(ccc1/N=C/c1ccccc1[N+](=O)[O-])[N+](=O)[O-]

STK030985
Synonyms: 5- fluoro- 1H- indole- 2- carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)N

STK030992
Synonyms: ethyl1- [(2E)- 3- [4- (dimethylamino)phenyl]- 2- (2- oxopyridin- 1(2H)- yl)prop- 2- enoyl]piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O

STK030995
Synonyms: 8- [(1,3- benzodioxol- 5- ylmethyl)amino]- 7- (3- methoxybenzyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1cccc(c1)Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C

STK030996
Synonyms: N- (furan- 2- ylmethyl)- 4- nitro- 2,1,3- benzothiadiazol- 5- amine
Smiles: [O-][N+](=O)c1c(NCc2ccco2)ccc2c1nsn2

STK031027
Synonyms: 2- (4- chloro- 2- nitrophenoxy)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide
Smiles: O=C(COc1ccc(cc1[N+](=O)[O-])Cl)NN=C1C(=O)NC(=O)NC1=O

STK031036
Synonyms: (2E)- 2- cyano- 3- {3,5- dichloro- 2- [2- (2,5- dimethylphenoxy)ethoxy]phenyl}- N- (2- methylphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cc(Cl)cc(c1OCCOc1cc(C)ccc1C)Cl)/C(=O)Nc1ccccc1C

STK031047
Synonyms: N- cyclohexyl- N'- [2- (diethylamino)ethyl]butanediamide
Smiles: CCN(CCNC(=O)CCC(=O)NC1CCCCC1)CC

STK031055
Synonyms: 1- (3- bromophenyl)- 2- [(1- butyl- 1H- benzimidazol- 2- yl)sulfanyl]ethanone
Smiles: CCCCn1c(SCC(=O)c2cccc(c2)Br)nc2c1cccc2

STK031066
Synonyms: 3- chloro- N'- [(E)- {4- [3- (2- methylphenoxy)propoxy]phenyl}methylidene]benzohydrazide
Smiles: Clc1cccc(c1)C(=O)N/N=C/c1ccc(cc1)OCCCOc1ccccc1C

STK031088
Synonyms: 4,7- dihydroxy- 3- nitrosonaphthalene- 1- sulfonate
Smiles: O=Nc1cc(c2c(c1O)ccc(c2)O)S(=O)(=O)[O-]

STK031093
Synonyms: 1,1'- (4,6- dipropoxybenzene- 1,3- diyl)diethanone
Smiles: CCCOc1cc(OCCC)c(cc1C(=O)C)C(=O)C

STK031108
Synonyms: 2- [(5- benzyl- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSC1=NC(=O)C(C(=O)N1)Cc1ccccc1

STK031109
Synonyms: 2- (2- imino- 4- oxo- 1,3- thiazolidin- 5- yl)- N- (4'- nitrobiphenyl- 4- yl)acetamide
Smiles: O=C(Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])CC1SC(=N)NC1=O

STK031110
Synonyms: 7- (4- hydroxy- 2- oxo- 2H- chromen- 3- yl)chromeno[4',3':3,4]cyclopenta[1,2- b]pyridin- 6(7H)- one
Smiles: O=c1oc2ccccc2c(c1C1c2c(=O)oc3c(c2c2c1nccc2)cccc3)O

STK031117
Synonyms: ethyl2- [(1E)- 1- {2- [(naphthalen- 2- yloxy)acetyl]hydrazinylidene}ethyl]pentanoate
Smiles: CCCC(C(=O)OCC)/C(=N/NC(=O)COc1ccc2c(c1)cccc2)/C

STK031129
Synonyms: (1Z)- N'- [(furan- 2- ylcarbonyl)oxy]- 2- methylpropanimidamide
Smiles: N/C(=N\OC(=O)c1ccco1)/C(C)C

STK031156
Synonyms: N- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 4- (propanoylamino)benzamide
Smiles: CCC(=O)Nc1ccc(cc1)C(=O)NN1C(=O)c2c(C1=O)cccc2

STK031165
Synonyms: 1- [5- (4- tert- butylphenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (3,4- dimethylphenyl)urea
Smiles: O=C(Nc1nnc(s1)c1ccc(cc1)C(C)(C)C)Nc1ccc(c(c1)C)C

STK031185
Synonyms: N- {(E)- [4- (benzyloxy)phenyl]methylidene}- 2- nitroaniline
Smiles: [O-][N+](=O)c1ccccc1/N=C/c1ccc(cc1)OCc1ccccc1

STK031187
Synonyms: (2Z)- 6- chloro- N- [4- (2,4- dichlorophenyl)- 1,3- thiazol- 2- yl]- 2- [(2- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc(c(c1)Cl)c1csc(n1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1ccccc1C

STK031192
Synonyms: 3- (4- fluorophenyl)- 5- (4- methoxyphenyl)- 4- [3- (trifluoromethyl)phenyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)c1nnc(n1c1cccc(c1)C(F)(F)F)c1ccc(cc1)F

STK031193
Synonyms: N- benzyl- 2- phenyl- N- (pyridin- 2- ylmethyl)ethanamine
Smiles: c1ccc(cc1)CCN(Cc1ccccn1)Cc1ccccc1

STK031194
Synonyms: (2Z,5Z)- 5- (3- ethoxy- 4- methoxybenzylidene)- 2- [(4- methylphenyl)imino]- 3- (2- phenylethyl)- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(ccc1OC)/C=C/1\S/C(=N\c2ccc(cc2)C)/N(C1=O)CCc1ccccc1

STK031198
Synonyms: (6Z)- 6- [3- ethoxy- 5- iodo- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 5- imino- 2- (phenoxymethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)I)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1

STK031202
Synonyms: N- {4- [(5- methyl- 1,2- oxazol- 3- yl)sulfamoyl]phenyl}- 2- phenoxyacetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)COc1ccccc1

STK031204
Synonyms: 2- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}benzoicacid
Smiles: O=C1N(N=C(/C/1=N/Nc1ccccc1C(=O)O)c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1

STK031210
Synonyms: 1- [(2,4- dichlorophenyl)sulfonyl]piperidine
Smiles: Clc1ccc(c(c1)Cl)S(=O)(=O)N1CCCCC1

STK031241
Synonyms: N- tert- butyl- 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- (3- nitrophenyl)- 3- oxopropanamide
Smiles: O=C(C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NC(C)(C)C

STK031260
Synonyms: N- [2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- 2- oxoethyl]- 2,3- dihydro- 1,4- benzodioxine- 6- carboxamide
Smiles: Cc1nn(c(c1)C)C(=O)CNC(=O)c1ccc2c(c1)OCCO2

STK031316
Synonyms: 6- [4- (benzyloxy)- 3- methoxyphenyl]- 4,8- diethoxy- 1,3- dimethyl- 6H- cyclohepta[c]furan- 6- ylium
Smiles: CCOC1=C[C+](C=C(c2c1c(C)oc2C)OCC)c1ccc(c(c1)OC)OCc1ccccc1

STK031321
Synonyms: 2- phenyl- N- (1'H- spiro[cyclohexane- 1,2'- naphthalen]- 4'- yl)acetamide
Smiles: O=C(NC1=CC2(CCCCC2)Cc2c1cccc2)Cc1ccccc1

STK031373
Synonyms: 1- (5- {[(4- chlorobenzyl)sulfanyl]methyl}- 1,3,4- thiadiazol- 2- yl)- 3- (3- methoxyphenyl)urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)CSCc1ccc(cc1)Cl

STK031384
Synonyms: 2- (4- methylphenoxy)- N'- {[5- methyl- 2- (propan- 2- yl)phenoxy]acetyl}acetohydrazide
Smiles: O=C(COc1ccc(cc1)C)NNC(=O)COc1cc(C)ccc1C(C)C

STK031395
Synonyms: 2- (hex- 1- yn- 1- yl)- 1,7,7- trimethylbicyclo[2.2.1]hept- 2- ylmethylether
Smiles: CCCCC#CC1(OC)CC2C(C1(C)CC2)(C)C

STK031401
Synonyms:
Smiles: Brc1cccc(c1)C(=O)N/N=C/c1c(cnc(c1O)C)CO[P](=O)(=O)=O

STK031436
Synonyms: (5Z)- 3- benzyl- 5- ({1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)C)OCCn1cc(c2c1cccc2)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

STK031450
Synonyms: N- (2,4- dichlorophenyl)naphthalene- 1- carboxamide
Smiles: Clc1ccc(c(c1)Cl)NC(=O)c1cccc2c1cccc2

STK031469
Synonyms: N- (1- butyl- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- yl)acetamide
Smiles: CCCCN1C(=O)C(=C(C1NC(=O)C)C)C

STK031470
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [(3- methylbenzyl)oxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1cccc(c1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK031482
Synonyms: (2Z)- N- (4- bromophenyl)- 7- hydroxy- 2- (hydroxyimino)- 2H- chromene- 3- carboxamide
Smiles: O/N=c/1\oc2cc(O)ccc2cc1C(=O)Nc1ccc(cc1)Br

STK031517
Synonyms: N- tert- butyl- 2- [(1,3- dimethyl- 2,6- dioxo- 2,3,6,9- tetrahydro- 1H- purin- 8- yl)sulfanyl]acetamide
Smiles: O=C(NC(C)(C)C)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK031526
Synonyms: (5Z)- 1- (4- chlorophenyl)- 5- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}- 3- ethoxybenzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1cc(ccc1OCCSc1ccc(cc1)Cl)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

STK031556
Synonyms: 7,7- dimethyl- 5- oxo- 4- phenyl- 4,6,7,9- tetrahydro- 5H- pyrano[4',3':4,5]thieno[3,2- e][1,3]thiazolo[3,2- a]pyrimidin- 11- ium- 1- olate
Smiles: O=c1c2c3CC(C)(C)OCc3sc2[n+]2c(n1c1ccccc1)scc2[O-]

STK031561
Synonyms: 4- (7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)benzoicacid
Smiles: CC1CCc2c(C1)sc1c2c(=O)[nH]c(n1)c1ccc(cc1)C(=O)O

STK031564
Synonyms: N- (biphenyl- 4- yl)- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)Nc1ccc(cc1)c1ccccc1

STK031572
Synonyms: 4- [(3- methylpiperidin- 1- yl)carbonyl]phenylacetate
Smiles: CC1CCCN(C1)C(=O)c1ccc(cc1)OC(=O)C

STK031579
Synonyms: 2- (3,4- dimethylphenyl)- 1H- benzo[de]isoquinoline- 1,3(2H)- dione
Smiles: Cc1ccc(cc1C)n1c(=O)c2cccc3c2c(c1=O)ccc3

STK031593
Synonyms: S- {2- oxo- 2- [(1- phenylethyl)amino]ethyl}benzenecarbothioate
Smiles: O=C(NC(c1ccccc1)C)CSC(=O)c1ccccc1

STK031632
Synonyms: 4- methyl- N- [4- (6- methylimidazo[2,1- b][1,3]thiazol- 5- yl)- 1,3- thiazol- 2- yl]pyridin- 2- amine
Smiles: Cc1ccnc(c1)Nc1scc(n1)c1c(C)nc2n1ccs2

STK031634
Synonyms: N'- [(5- fluoro- 2- methyl- 1H- indol- 3- yl)acetyl]- 1- methyl- 5- phenoxy- 1H- indole- 2- carbohydrazide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(F)cc2)NNC(=O)c1cc2c(n1C)ccc(c2)Oc1ccccc1

STK031646
Synonyms: 4- {2- [(2- ethylphenyl)amino]- 1,3- thiazol- 4- yl}benzene- 1,3- diol
Smiles: CCc1ccccc1Nc1scc(n1)c1ccc(cc1O)O

STK031660
Synonyms: 5,5'- [(4- bromophenyl)methanediyl]bis(6- hydroxypyrimidine- 2,4(1H,3H)- dione)
Smiles: Brc1ccc(cc1)C(c1c(O)[nH]c(=O)[nH]c1=O)c1c(O)[nH]c(=O)[nH]c1=O

STK031686
Synonyms: 1- (4- bromophenyl)- 2- {[5- ({2- oxo- 2- [4- (phenylsulfanyl)phenyl]ethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(s1)SCC(=O)c1ccc(cc1)Sc1ccccc1

STK031743
Synonyms: 4- ({[(2Z)- 4- oxo- 2- (phenylimino)- 1,3- thiazinan- 6- yl]carbonyl}amino)benzoicacid
Smiles: O=C1N/C(=N/c2ccccc2)/SC(C1)C(=O)Nc1ccc(cc1)C(=O)O

STK031750
Synonyms: 7,16- dichloro- 6,15- dihydrodinaphtho[2,3- a:2',3'- h]phenazine- 5,9,14,18- tetrone
Smiles: Clc1cc2c(c3c1[nH]c1c([nH]3)c(Cl)cc3c1c(=O)c1c(c3=O)cccc1)c(=O)c1c(c2=O)cccc1

STK031779
Synonyms: 3- (2- methoxybenzyl)- 5- (3- methylphenyl)- 1,2,4- oxadiazole
Smiles: COc1ccccc1Cc1noc(n1)c1cccc(c1)C

STK031818
Synonyms: ethyl4- hydroxy- 2- methylquinoline- 6- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)c(O)cc(n2)C

STK031831
Synonyms: N- {4- [(5- ethyl- 1,3,4- thiadiazol- 2- yl)sulfamoyl]phenyl}- 9- oxo- 9H- fluorene- 2- sulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)c1c2cccc1

STK031840
Synonyms: 3- chloro- 6- [(2E)- 2- (4- methoxybenzylidene)hydrazinyl]pyridazine
Smiles: COc1ccc(cc1)/C=N/Nc1ccc(nn1)Cl

STK031843
Synonyms: tetramethyl6'- (1,3- benzodioxol- 5- ylcarbonyl)- 9'- methoxy- 5',5'- dimethyl- 5',6'- dihydrospiro[1,3- dithiole- 2,1'- thiopyrano[2,3- c]quinoline]- 2',3',4,5- tetracarboxylate
Smiles: COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(OC)cc1)C(=O)c1ccc3c(c1)OCO3)SC(=C(S2)C(=O)OC)C(=O)OC

STK031864
Synonyms: chloro(3- methoxy- 2,3- diphenylpropyl)mercury
Smiles: Cl[Hg]CC(C(c1ccccc1)OC)c1ccccc1

STK031875
Synonyms: N- [2- (dimethylamino)quinolin- 4- yl]- 2- (4- methylpiperazin- 1- yl)acetamide
Smiles: CN1CCN(CC1)CC(=O)Nc1cc(nc2c1cccc2)N(C)C

STK031881
Synonyms: ethyl4- {1- cyano- 2- [(4- methoxyphenyl)amino]- 2- oxoethylidene}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(=C(C(=O)Nc2ccc(cc2)OC)C#N)CC1

STK031885
Synonyms: 2- [(pyrimidin- 2- ylamino)methyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(CNc2ncccn2)C(=O)c2c1cccc2

STK031893
Synonyms: N- (heptan- 2- yl)- N'- (2- nitrophenyl)butanediamide
Smiles: CCCCCC(NC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])C

STK031917
Synonyms: 2- [(4- phenyl- 1H- imidazol- 2- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1[nH]cc(n1)c1ccccc1

STK031932
Synonyms: 3- chloro- 2- (chloromethyl)- 2- (hydroxymethyl)propanoicacid
Smiles: OCC(C(=O)O)(CCl)CCl

STK031940
Synonyms: (4E)- 3- (4- nitrophenyl)- 5- oxo- 4- [2- (2,4,6- trimethylphenyl)hydrazinylidene]- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Cc1cc(C)c(c(c1)C)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK031970
Synonyms: (3- chlorophenyl)(5,6- dimethyl- 1H- benzimidazol- 1- yl)methanone
Smiles: Clc1cccc(c1)C(=O)n1cnc2c1cc(C)c(c2)C

STK031981
Synonyms: (1E)- N- hydroxy- 1- (1- methyl- 2,3- dihydro- 1H- indol- 3- yl)ethanimine
Smiles: O/N=C(/C1CN(c2c1cccc2)C)\C

STK032006
Synonyms: (2Z)- 2- [(3- methoxyphenyl)imino]- 6- nitro- 2H- chromene- 3- carboxamide
Smiles: COc1cccc(c1)/N=c/1\oc2ccc(cc2cc1C(=O)N)[N+](=O)[O-]

STK032039
Synonyms: N'- (naphthalen- 2- ylsulfonyl)naphthalene- 2- carbohydrazide
Smiles: O=C(c1ccc2c(c1)cccc2)NNS(=O)(=O)c1ccc2c(c1)cccc2

STK032091
Synonyms: N- ethyl- 2- [(2Z)- 2- [(2- methoxyphenyl)imino]- 4- oxo- 3- (prop- 2- en- 1- yl)- 1,3- thiazolidin- 5- yl]acetamide
Smiles: C=CCN1/C(=N/c2ccccc2OC)/SC(C1=O)CC(=O)NCC

STK032165
Synonyms: 2- phenyl- N- {[4- (pyrrolidin- 1- yl)phenyl]carbamothioyl}acetamide
Smiles: O=C(Cc1ccccc1)NC(=S)Nc1ccc(cc1)N1CCCC1

STK032174
Synonyms: (6Z)- 6- benzylidene- 2- (2- chlorophenyl)- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccccc1c1nn2c(=NC(=O)/C(=C\c3ccccc3)/C2=N)s1

STK032177
Synonyms: 3- [(E)- {2- [4,6- di(piperidin- 1- yl)- 1,3,5- triazin- 2- yl]hydrazinylidene}methyl]- 1- [2- (2- methoxyphenoxy)ethyl]- 1H- indole
Smiles: COc1ccccc1OCCn1cc(c2c1cccc2)/C=N/Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1

STK032199
Synonyms: 3,3'- (2- oxocycloheptane- 1,3- diyl)bis(3- hydroxy- 1,3- dihydro- 2H- indol- 2- one)
Smiles: O=C1C(CCCCC1C1(O)C(=O)Nc2c1cccc2)C1(O)C(=O)Nc2c1cccc2

STK032230
Synonyms: (2Z)- 5- butyl- 2- {(2E)- [4- (dimethylamino)benzylidene]hydrazinylidene}- 3- (4- methoxybenzyl)- 1,3- thiazolidin- 4- one
Smiles: CCCCC1S/C(=N\N=C\c2ccc(cc2)N(C)C)/N(C1=O)Cc1ccc(cc1)OC

STK032247
Synonyms: (4R)- 2- [4- (dimethylamino)phenyl]- 1,3- thiazolidine- 4- carboxylicacid
Smiles: CN(c1ccc(cc1)C1SC[C@H](N1)C(=O)O)C

STK032273
Synonyms: N- [(E)- furan- 2- ylmethylidene]- 2,5- dimethylaniline
Smiles: Cc1ccc(c(c1)/N=C/c1ccco1)C

STK032283
Synonyms: N- (4- ethoxyphenyl)- N- (methylsulfonyl)alanine
Smiles: CCOc1ccc(cc1)N(S(=O)(=O)C)C(C(=O)O)C

STK032287
Synonyms: N- (3- hydroxypropyl)- 2- oxo- 2,3- dihydro- 1H- benzimidazole- 5- sulfonamide
Smiles: OCCCNS(=O)(=O)c1ccc2c(c1)[nH]c(=O)[nH]2

STK032289
Synonyms: 4- (morpholin- 4- yl)- N- (4- nitrophenyl)- 4- oxobutanamide
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(=O)N1CCOCC1

STK032308
Synonyms: N- (1- benzyl- 1H- benzimidazol- 5- yl)- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1

STK032357
Synonyms: propyl2- chloroquinoline- 4- carboxylate
Smiles: CCCOC(=O)c1cc(Cl)nc2c1cccc2

STK032387
Synonyms: (2E)- 4- oxo- 4- (1H- 1,2,4- triazol- 3- ylamino)but- 2- enoicacid
Smiles: O=C(Nc1n[nH]cn1)/C=C/C(=O)O

STK032391
Synonyms: 4- (2- methylimidazo[1,2- a]pyrimidin- 3- yl)- N- phenyl- 1,3- thiazol- 2- amine
Smiles: Cc1nc2n(c1c1csc(n1)Nc1ccccc1)cccn2

STK032408
Synonyms: 2- [(4- methylphenyl)carbonyl]cyclohexanone
Smiles: O=C1CCCCC1C(=O)c1ccc(cc1)C

STK032410
Synonyms: 2- [4- (cyclohexylamino)- 4- oxobutan- 2- yl]- 5- methylhexanoicacid
Smiles: CC(C(C(=O)O)CCC(C)C)CC(=O)NC1CCCCC1

STK032430
Synonyms: 2- ({[3- chloro- 5- (trifluoromethyl)pyridin- 2- yl]amino}methylidene)cyclohexane- 1,3- dione
Smiles: O=C1CCCC(=O)C1=CNc1ncc(cc1Cl)C(F)(F)F

STK032462
Synonyms: 4- [(3- cyano- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl)amino]- 4- oxobutanoicacid
Smiles: N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCC2

STK032467
Synonyms: 4- bromo- N'- [(1E)- 1- (6- nitro- 2- oxo- 2H- chromen- 3- yl)ethylidene]benzohydrazide
Smiles: Brc1ccc(cc1)C(=O)N/N=C(/c1cc2cc(ccc2oc1=O)[N+](=O)[O-])\C

STK032485
Synonyms: N- (3- ethoxypropyl)- 1- (3- methoxybenzyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1cccc(c1)OC

STK032506
Synonyms: 7- benzyl- 1,3- dimethyl- 8- (pyridin- 3- ylmethoxy)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)OCc1cccnc1

STK032507
Synonyms: 3- [2- (2,4- dimethylphenyl)- 2- oxoethyl]- 3- hydroxy- 1- (prop- 2- en- 1- yl)- 1,3- dihydro- 2H- indol- 2- one
Smiles: C=CCN1c2ccccc2C(C1=O)(O)CC(=O)c1ccc(cc1C)C

STK032510
Synonyms: 4- (2- methoxyphenyl)- 2,7- dimethyl- 5- oxo- 5,6- dihydro- 4H- pyrano[3,2- c]pyridine- 3- carbonitrileammoniate
Smiles: N#CC1=C(C)Oc2c(C1c1ccccc1OC)c(=O)[nH]c(c2)C.N

STK032547
Synonyms: 2- (4- nitrophenyl)- 3- [(4- phenylpiperazin- 1- yl)methyl]imidazo[1,2- a]pyridine
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2n(c1CN1CCN(CC1)c1ccccc1)cccc2

STK032558
Synonyms: 6- amino- 4- {4- [(2- chlorobenzyl)oxy]- 3- methoxyphenyl}- 3- methyl- 1- phenyl- 1,3a,4,7a- tetrahydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)OC2C(C1c1ccc(c(c1)OC)OCc1ccccc1Cl)C(=NN2c1ccccc1)C

STK032583
Synonyms: (2Z)- 2,3- dimethyl- 4- oxo- 4- [(pyridin- 2- ylmethyl)amino]but- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NCc1ccccn1

STK032604
Synonyms: tert- butyl5- tert- butyl- 5- hydroxy- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazole- 1- carboxylate
Smiles: O=C(N1N=C(CC1(O)C(C)(C)C)C(F)(F)F)OC(C)(C)C

STK032610
Synonyms: N- (3- cyano- 4- phenyl- 4H- benzo[h]chromen- 2- yl)benzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2)Oc2c(C1c1ccccc1)ccc1c2cccc1

STK032616
Synonyms: 3- bromo- N- {4- [5- (3- bromophenyl)- 1,2,4- oxadiazol- 3- yl]phenyl}benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccc(cc1)c1noc(n1)c1cccc(c1)Br

STK032639
Synonyms: 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- N- propylpropanamide
Smiles: CCCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK032651
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- (3- bromophenyl)pyrrolidine- 2,5- dione
Smiles: Brc1cccc(c1)N1C(=O)CC(C1=O)n1cnc2c1cccc2

STK032660
Synonyms: 5- {2- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)OCCOc1ccccc1C=C1C(=O)N(C)C(=O)N(C1=O)C

STK032662
Synonyms: 6- amino- 4- [5- bromo- 2- (difluoromethoxy)phenyl]- 3- ethyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(Br)ccc1OC(F)F)c(CC)n[nH]2

STK032687
Synonyms: 4- hydroxy- 1- methyl- 2- oxo- N- (pyridin- 4- ylmethyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)C)NCc1ccncc1

STK032720
Synonyms: (5Z)- 5- ({1- [2- (4- cyclohexylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2c(C)n(c3c2cccc3)CCOc2ccc(cc2)C2CCCCC2)/C(=O)N1c1ccccc1

STK032750
Synonyms: 6- (5- bromo- 2- fluorophenyl)- 5- nitropiperidin- 2- one
Smiles: O=C1CCC(C(N1)c1cc(Br)ccc1F)[N+](=O)[O-]

STK032751
Synonyms: 2- [(1R,2R,8aS)- 2- hydroxy- 2,5,5,8a- tetramethyldecahydronaphthalen- 1- yl]ethylacetate
Smiles: CC(=O)OCC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C

STK032760
Synonyms: 1- [(2,7- dimethyl- 1,4,6,9- tetraoxa- 5lambda~5~- phosphaspiro[4.4]non- 5- yl)methyl]piperidine
Smiles: CC1COP2(O1)(OCC(O2)C)CN1CCCCC1

STK032768
Synonyms: 5- (benzyloxy)- N- [2- (diethylamino)ethyl]- 3- methyl- 1H- indole- 2- carboxamide
Smiles: CCN(CCNC(=O)c1[nH]c2c(c1C)cc(cc2)OCc1ccccc1)CC

STK032769
Synonyms: N'- (2- nitrophenyl)- 1H- 1,2,4- triazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]cn1)NNc1ccccc1[N+](=O)[O-]

STK032775
Synonyms: N- phenyl- 2- [(trifluoroacetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: O=C(C(F)(F)F)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2

STK032814
Synonyms: 2- [(Z)- (5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)methyl]- 3- methylquinazolin- 4(3H)- one
Smiles: Brc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1C)/C(=O)N2C

STK032817
Synonyms: {(4- bromophenyl)[5- oxo- 3- phenyl- 1- (4- phenyl- 1,3- thiazol- 2- yl)- 4,5- dihydro- 1H- pyrazol- 4- yl]methyl}propanedinitrile
Smiles: N#CC(C(C1C(=NN(C1=O)c1scc(n1)c1ccccc1)c1ccccc1)c1ccc(cc1)Br)C#N

STK032827
Synonyms: 6- tert- butyl- 2- ({(E)- [4- (4- methylpiperazin- 1- yl)- 3- nitrophenyl]methylidene}amino)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2ccc(c(c2)[N+](=O)[O-])N2CCN(CC2)C)sc2c1CCC(C2)C(C)(C)C

STK032830
Synonyms: (3E)- 3- {2- [(4- methylphenoxy)acetyl]hydrazinylidene}- N- (pyridin- 2- yl)butanamide
Smiles: O=C(COc1ccc(cc1)C)N/N=C(/CC(=O)Nc1ccccn1)\C

STK032843
Synonyms: 4- {(E)- [(2- methyl- 3- nitrophenyl)imino]methyl}benzene- 1,2- diol
Smiles: Oc1cc(/C=N/c2cccc(c2C)[N+](=O)[O-])ccc1O

STK032846
Synonyms: ethyl6- amino- 5- cyano- 4- (3,5- dimethoxyphenyl)- 2- phenyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1cc(OC)cc(c1)OC)C#N)N)c1ccccc1

STK032911
Synonyms: (4- ethylpiperazin- 1- yl)[1- (naphthalen- 1- ylmethyl)piperidin- 4- yl]methanone
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1cccc2c1cccc2

STK032920
Synonyms: 2- {[(6- bromo- 1H- benzimidazol- 2- yl)sulfanyl]methyl}benzonitrile
Smiles: N#Cc1ccccc1CSc1nc2c([nH]1)cc(cc2)Br

STK032932
Synonyms: 3,3'- dimethoxybiphenyl- 4,4'- diamine
Smiles: COc1cc(ccc1N)c1ccc(c(c1)OC)N

STK032941
Synonyms: 3- (2- methylpropyl)- 1- (phenylsulfonyl)- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CC(CC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccccc1)C

STK032949
Synonyms: 2- chloro- N'- [(4- heptylphenyl)carbonyl]benzohydrazide
Smiles: CCCCCCCc1ccc(cc1)C(=O)NNC(=O)c1ccccc1Cl

STK032973
Synonyms: 3- (dimethylamino)propyl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)OCCCN(C)C

STK032974
Synonyms: 5- (4- bromophenyl)- N- (3- methylphenyl)furan- 2- carboxamide
Smiles: Brc1ccc(cc1)c1ccc(o1)C(=O)Nc1cccc(c1)C

STK033025
Synonyms: 4- {(E)- [(diaminomethylidene)hydrazinylidene]methyl}phenylbenzoate
Smiles: O=C(c1ccccc1)Oc1ccc(cc1)/C=N/N=C(N)N

STK033028
Synonyms: [(2- oxoazepan- 1- yl)methyl][2- (triethylsilyl)ethyl]phosphinicacid
Smiles: CC[Si](CCP(=O)(CN1CCCCCC1=O)O)(CC)CC

STK033040
Synonyms: 3,4- dimethyl- N- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: O=C(c1ccc(c(c1)C)C)Nc1nnc(s1)C(F)(F)F

STK033047
Synonyms: 3- hydroxy- 2- (2- phenylethyl)- 2,3- dihydro- 1H- isoindol- 1- one
Smiles: O=C1c2ccccc2C(N1CCc1ccccc1)O

STK033065
Synonyms: (4E)- 4- [2- (2,3- dimethylphenyl)hydrazinylidene]- 5- methyl- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cccc(c2C)C)/C1=O)C

STK033097
Synonyms: 1- [5- (4- hydroxy- 3- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 3- yl]naphthalen- 2- ol
Smiles: COc1cc(ccc1O)C1NN=C(C1)c1c(O)ccc2c1cccc2

STK033104
Synonyms: 4- (2- {[5- (benzyloxy)- 2- methyl- 1H- indol- 3- yl]acetyl}hydrazinyl)- N- tert- butyl- 4- oxobutanamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(OCc1ccccc1)cc2)NNC(=O)CCC(=O)NC(C)(C)C

STK033128
Synonyms: (5E)- 1- methyl- 5- {2- [(3- methylbenzyl)oxy]benzylidene}- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cccc(c1)COc1ccccc1/C=C/1\C(=O)NC(=S)N(C1=O)C

STK033150
Synonyms: methyl(2E)- 4- oxo- 4- [(4- phenyl- 1,3- thiazol- 2- yl)amino]but- 2- enoate
Smiles: COC(=O)/C=C/C(=O)Nc1scc(n1)c1ccccc1

STK033152
Synonyms: (2E)- 2- (4- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)hydrazinecarbothioamide
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1)/C=N/NC(=S)N

STK033177
Synonyms: benzene- 1,4- diyldiacetate
Smiles: CC(=O)Oc1ccc(cc1)OC(=O)C

STK033178
Synonyms: 2,2'- {1,3,4- thiadiazole- 2,5- diylbis[sulfanediyl(1- oxopropane- 2,1- diyl)]}bis(N- ethylhydrazinecarbothioamide)
Smiles: CCNC(=S)NNC(=O)C(Sc1nnc(s1)SC(C(=O)NNC(=S)NCC)C)C

STK033212
Synonyms: 2- [benzyl(4- ethylbenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1ccc(cc1)CC

STK033223
Synonyms: 2,2'- (oxydibenzene- 4,1- diyl)bis(5- chloro- 1,3- benzoxazole)
Smiles: Clc1ccc2c(c1)nc(o2)c1ccc(cc1)Oc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl

STK033237
Synonyms: 2- (4- chlorophenyl)- N- {[4- (pyrrolidin- 1- yl)phenyl]carbamothioyl}acetamide
Smiles: O=C(Cc1ccc(cc1)Cl)NC(=S)Nc1ccc(cc1)N1CCCC1

STK033246
Synonyms: 4- chloro- N- [1- (4- chlorobenzyl)- 1H- benzimidazol- 2- yl]benzamide
Smiles: Clc1ccc(cc1)Cn1c(NC(=O)c2ccc(cc2)Cl)nc2c1cccc2

STK033248
Synonyms: 2- (acetylamino)- N- phenyl- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2

STK033260
Synonyms: 3- amino- N,N- diethyl- 4- (4- methoxyphenyl)- 6- phenylthieno[2,3- b]pyridine- 2- carboxamide
Smiles: CCN(C(=O)c1sc2c(c1N)c(cc(n2)c1ccccc1)c1ccc(cc1)OC)CC

STK033261
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 4- oxo- 3- [(pyridin- 4- ylcarbonyl)amino]- 1,3- thiazinane- 6- carboxylicacid
Smiles: COc1ccc(cc1)/N=C/1\SC(CC(=O)N1NC(=O)c1ccncc1)C(=O)O

STK033301
Synonyms: 8- {(2E)- 2- [4- (prop- 2- en- 1- yloxy)benzylidene]hydrazinyl}adenosine
Smiles: C=CCOc1ccc(cc1)/C=N/Nc1nc2c(n1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)ncnc2N

STK033306
Synonyms: ethyl[(3- benzyl- 7- ethyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)CC

STK033316
Synonyms: methyl6- amino- 4- (4- chloro- 1,3- benzodioxol- 5- yl)- 5- cyano- 2- (2- methoxy- 2- oxoethyl)- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc2c(c1Cl)OCO2)C#N)N

STK033332
Synonyms: 4- (2,4- dichlorophenoxy)- N- ethyl- N- (pyridin- 4- ylmethyl)butanamide
Smiles: CCN(C(=O)CCCOc1ccc(cc1Cl)Cl)Cc1ccncc1

STK033337
Synonyms: 1- {4- [(4- ethylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: CCN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK033352
Synonyms: 2- ({[(3,5- dimethylphenoxy)acetyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccccc1C(=O)O)COc1cc(C)cc(c1)C

STK033353
Synonyms: N- [3- (1H- imidazol- 1- yl)propyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCNCC1)NCCCn1cncc1

STK033358
Synonyms: N- (furan- 2- ylmethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: C1CCc2c(C1)c1c(ncnc1s2)NCc1ccco1

STK033359
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- N- (2- ethoxyphenyl)prop- 2- enamide
Smiles: CCOc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2

STK033367
Synonyms: cyclohexyl(5,6- dimethyl- 1H- benzimidazol- 1- yl)methanone
Smiles: O=C(n1cnc2c1cc(C)c(c2)C)C1CCCCC1

STK033381
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- [3- (diethylamino)propyl]butanediamide
Smiles: CCN(CCCNC(=O)CCC(=O)NCCC1=CCCCC1)CC

STK033392
Synonyms: 3- [(1- benzylpiperidin- 4- yl)oxy]- 2- (4- fluorobenzyl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- one
Smiles: Fc1ccc(cc1)CN1C(OC2CCN(CC2)Cc2ccccc2)C2=C(C1=O)CCCC2

STK033399
Synonyms: N- {2- [(4- ethylpiperazin- 1- yl)carbonyl]phenyl}- 2,2- diphenylacetamide
Smiles: CCN1CCN(CC1)C(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1

STK033414
Synonyms: 3- ({2- [4- (4- bromophenyl)- 2,2,4- trimethyl- 3,4- dihydroquinolin- 1(2H)- yl]- 2- oxoethyl}sulfanyl)- 6,6- dimethyl- 1,6- dihydro- 1,2,4- triazin- 5(4H)- one
Smiles: Brc1ccc(cc1)C1(C)CC(C)(C)N(c2c1cccc2)C(=O)CSC1=NNC(C(=O)N1)(C)C

STK033451
Synonyms: [1,2- dimethyl- 4- (4- methylphenyl)- 4,5- dihydro- 1H- imidazol- 5- yl](phenyl)methanone
Smiles: Cc1ccc(cc1)C1N=C(N(C1C(=O)c1ccccc1)C)C

STK033455
Synonyms: N- (3- butoxypropyl)- N'- [3- (morpholin- 4- yl)propyl]butanediamide
Smiles: CCCCOCCCNC(=O)CCC(=O)NCCCN1CCOCC1

STK033460
Synonyms: 1- (1,3- benzodioxol- 5- ylmethyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2

STK033476
Synonyms: 1- [(N- acetylglycyl)(ethyl)amino]- N- [(2- chlorophenyl)(4- chlorophenyl)methyl]cyclohexanecarboxamide
Smiles: CCN(C1(CCCCC1)C(=O)NC(c1ccccc1Cl)c1ccc(cc1)Cl)C(=O)CNC(=O)C

STK033522
Synonyms: N- {2- chloro- 5- [5- (propan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1cc(ccc1Cl)c1nc2c(o1)ccc(c2)C(C)C

STK033533
Synonyms: (2E)- 2- (2- {3- [4- (butan- 2- yl)phenoxy]propoxy}- 5- chlorobenzylidene)hydrazinecarboxamide
Smiles: CCC(c1ccc(cc1)OCCCOc1ccc(cc1/C=N/NC(=O)N)Cl)C

STK033549
Synonyms: 2- {4- methoxy- 3- [(pyridin- 2- yloxy)methyl]phenyl}- 3- (naphthalen- 1- yl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: COc1ccc(cc1COc1ccccn1)C1Nc2ccccc2C(=O)N1c1cccc2c1cccc2

STK033561
Synonyms: 2- (1,3- benzodioxol- 5- yl)- 3- (4- tert- butylphenyl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: O=C1N(c2ccc(cc2)C(C)(C)C)C(Nc2c1cccc2)c1ccc2c(c1)OCO2

STK033583
Synonyms: N'- acetyl- 4- hydroxy- 1- methyl- 2- oxo- 1,2- dihydroquinoline- 3- carbohydrazide
Smiles: CC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK033588
Synonyms: 1- azabicyclo[2.2.2]oct- 3- ylfuran- 2- carboxylate
Smiles: O=C(c1ccco1)OC1CN2CCC1CC2

STK033592
Synonyms: methyl6- amino- 5- cyano- 2- {[(3- cyano- 4,6- dimethylpyridin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- pyran- 3- carboxylate
Smiles: COC(=O)C1=C(CSc2nc(C)cc(c2C#N)C)OC(=C(C1c1ccccc1)C#N)N

STK033593
Synonyms: N- [2- ({3- methyl- 1- oxo- 1- [2- (pyridin- 4- ylcarbonyl)hydrazinyl]pentan- 2- yl}carbamoyl)phenyl]furan- 2- carboxamide(non- preferredname)
Smiles: CCC(C(C(=O)NNC(=O)c1ccncc1)NC(=O)c1ccccc1NC(=O)c1ccco1)C

STK033632
Synonyms: 1- (3,4- dichlorobenzyl)piperidine- 4- carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccc(c(c1)Cl)Cl

STK033637
Synonyms: 1- {4- [(4,6- dihydroxy- 1,3,5- triazin- 2- yl)amino]phenyl}ethanone
Smiles: CC(=O)c1ccc(cc1)Nc1nc(O)nc(n1)O

STK033651
Synonyms: N- [3- (5- chloro- 1,3- benzoxazol- 2- yl)phenyl]- 2- (4- chloro- 2- methylphenoxy)acetamide
Smiles: O=C(Nc1cccc(c1)c1oc2c(n1)cc(cc2)Cl)COc1ccc(cc1C)Cl

STK033668
Synonyms: (3E,3'Z)- 3,3'- bis(naphthalen- 1- ylimino)- 2,2'- diphenyl- 2',3'- dihydro- 1'H,3H- 1,2'- biinden- 1'- one
Smiles: O=C1c2ccccc2/C(=N/c2cccc3c2cccc3)/C1(c1ccccc1)C1=C(c2ccccc2)/C(=N/c2cccc3c2cccc3)/c2c1cccc2

STK033676
Synonyms: ethyl4- [(4Z)- 4- (4- butoxy- 3- methoxybenzylidene)- 5- oxo- 3- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoate
Smiles: CCCCOc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)C(=O)OCC

STK033682
Synonyms: N- (4- bromo- 2- methylphenyl)- 4- nitrobenzamide
Smiles: Brc1ccc(c(c1)C)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK033691
Synonyms: 4- ({[(3- bromo- 4- methoxyphenyl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: COc1ccc(cc1Br)C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK033698
Synonyms: 4- chloro- N- (2- propanoylphenyl)benzamide
Smiles: CCC(=O)c1ccccc1NC(=O)c1ccc(cc1)Cl

STK033700
Synonyms: 5- bromo- N- [(2- methyl- 4- nitrophenyl)carbamothioyl]naphthalene- 1- carboxamide
Smiles: S=C(Nc1ccc(cc1C)[N+](=O)[O-])NC(=O)c1cccc2c1cccc2Br

STK033701
Synonyms: ethyl4- {4- [(4- methoxyphenyl)amino]phthalazin- 1- yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)OC

STK033734
Synonyms: 1- [(6- ethoxynaphthalen- 2- yl)sulfonyl]- 4- methylpiperidine
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCC(CC1)C

STK033736
Synonyms: 3,4- dimethoxy- N- (3- methylpyridin- 2- yl)benzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ncccc1C

STK033745
Synonyms: 1- [(2,4- dichlorophenyl)sulfonyl]- 4- methylpiperazine
Smiles: CN1CCN(CC1)S(=O)(=O)c1ccc(cc1Cl)Cl

STK033747
Synonyms: 4- [(4- {(1Z)- 2- cyano- 3- [(4- ethoxyphenyl)amino]- 3- oxoprop- 1- en- 1- yl}phenoxy)methyl]benzoicacid
Smiles: CCOc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/C#N

STK033754
Synonyms: 2- [(5- methyl- 1,4- diphenyl- 1H- imidazol- 2- yl)sulfanyl]- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(c(n1c1ccccc1)C)c1ccccc1

STK033760
Synonyms: 6- [(2E)- 2- (4- fluorobenzylidene)hydrazinyl]- N,N,N',N'- tetramethylpyrimidine- 2,4- diamine
Smiles: Fc1ccc(cc1)/C=N/Nc1cc(nc(n1)N(C)C)N(C)C

STK033772
Synonyms: 2- {[(3R)- 5- bromo- 2- oxo- 2,3- dihydro- 1H- indol- 3- yl]methyl}- 3- methylquinazolin- 4(3H)- one
Smiles: O=C1Nc2c([C@H]1Cc1nc3ccccc3c(=O)n1C)cc(cc2)Br

STK033773
Synonyms: N- [2- (butan- 2- yl)phenyl]- 2- chloropyridine- 3- carboxamide
Smiles: CCC(c1ccccc1NC(=O)c1cccnc1Cl)C

STK033774
Synonyms: 2- (2- hydroxy- 3- methylphenyl)- 5,6- dimethyl- 2,3- dihydrothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: Oc1c(C)cccc1C1NC(=O)c2c(N1)sc(c2C)C

STK033775
Synonyms: 6- amino- 4- [1- phenyl- 3- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- pyrazol- 4- yl]- 3- propyl- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCCc1[nH]nc2c1C(C(=C(O2)N)C#N)c1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1

STK033780
Synonyms: 3- [(3- hydroxy- 2- phenylpropanoyl)oxy]- 8- methyl- 8- (prop- 2- yn- 1- yl)- 8- azoniabicyclo[3.2.1]octane
Smiles: OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)CC#C

STK033784
Synonyms: N- [(4S,6R)- 6- methyl- 8- phenyl- 5,6,8,8a,9,11a- hexahydro- 4H- cyclopenta[c]pyrido[3,2,1- ij]quinolin- 4- yl]- N- phenylpropanamide
Smiles: CCC(=O)N([C@H]1C[C@@H](C)N2c3c1cccc3C1C(C2c2ccccc2)CC=C1)c1ccccc1

STK033790
Synonyms: N- cycloheptyl- 1- (3- ethoxy- 4- hydroxybenzyl)piperidine- 4- carboxamide
Smiles: CCOc1cc(ccc1O)CN1CCC(CC1)C(=O)NC1CCCCCC1

STK033793
Synonyms: N- [(1R)- 1- phenylethyl]piperidine- 4- carboxamide
Smiles: C[C@H](c1ccccc1)NC(=O)C1CCNCC1

STK033796
Synonyms: [1- (cyclohex- 3- en- 1- ylmethyl)piperidin- 4- yl](3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: O=C(N1CCc2c(C1)cccc2)C1CCN(CC1)CC1CCC=CC1

STK033814
Synonyms: 2,2- dichloro- N- (4- nitrophenyl)acetamide
Smiles: ClC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cl

STK033829
Synonyms: 3- (4- hexylcyclohexyl)- 5- (4- nitrophenyl)- 1,2,4- oxadiazole
Smiles: CCCCCCC1CCC(CC1)c1noc(n1)c1ccc(cc1)[N+](=O)[O-]

STK033832
Synonyms: 2- (4- octylphenyl)- 1H- isoindole- 1,3(2H)- dione
Smiles: CCCCCCCCc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2

STK033843
Synonyms: 3- (dimethylamino)- 1- (4- nitrophenyl)propan- 1- one
Smiles: CN(CCC(=O)c1ccc(cc1)[N+](=O)[O-])C

STK033849
Synonyms: 1- (3- {[4- (2- methyl- 5- oxo- 4- propyltetrahydrofuran- 2- yl)- 1,3- thiazol- 2- yl]amino}propyl)thiourea
Smiles: CC1(CC(C(=O)O1)CCC)c1csc(n1)NCCCNC(=S)N

STK033891
Synonyms: 5- phenyl- 1- azabicyclo[2.2.2]octan- 3- one
Smiles: O=C1CN2CCC1C(C2)c1ccccc1

STK033895
Synonyms: 2- (4- chloro- 3- nitro- 1H- pyrazol- 1- yl)- N- [2- (cyclohex- 1- en- 1- yl)ethyl]acetamide
Smiles: O=C(Cn1cc(c(n1)[N+](=O)[O-])Cl)NCCC1=CCCCC1

STK033916
Synonyms: N- ({4- [5- (butan- 2- yl)- 1,3- benzoxazol- 2- yl]phenyl}carbamothioyl)- 2- [5- methyl- 2- (propan- 2- yl)phenoxy]acetamide
Smiles: CCC(c1ccc2c(c1)nc(o2)c1ccc(cc1)NC(=S)NC(=O)COc1cc(C)ccc1C(C)C)C

STK033956
Synonyms: 3- [1- (carboxymethyl)- 2- oxocyclohexyl]propanoicacid
Smiles: OC(=O)CCC1(CCCCC1=O)CC(=O)O

STK034003
Synonyms: 3- (4- chloro- 6- methoxy- 2- methylquinolin- 3- yl)propanoicacid
Smiles: Cc1nc2ccc(cc2c(c1CCC(=O)O)Cl)OC

STK034021
Synonyms: 4- bromo- N- [3- (2,4- dimethylphenoxy)- 2- hydroxypropyl]- N- methylbenzamide
Smiles: OC(CN(C(=O)c1ccc(cc1)Br)C)COc1ccc(cc1C)C

STK034026
Synonyms: 4- iodo- N- (pyridin- 2- yl)benzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccccn1

STK034054
Synonyms: 2- methoxy- N- {[2- (4- methylphenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}benzamide
Smiles: COc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)C

STK034071
Synonyms: 3,3- dimethyl- 1- oxo- 1,2,3,4- tetrahydroacridin- 9- aminium3- carboxypropanoate
Smiles: O=C1CC(C)(C)Cc2c1c([NH3+])c1c(n2)cccc1.[O-]C(=O)CCC(=O)O

STK034082
Synonyms: 3- amino- 4,6- dimethylthieno[2,3- b]pyridine- 2- carboxylicacid
Smiles: Cc1cc(C)c2c(n1)sc(c2N)C(=O)O

STK034105
Synonyms: N- benzyl- 5- phenylfuran- 2- carboxamide
Smiles: O=C(c1ccc(o1)c1ccccc1)NCc1ccccc1

STK034122
Synonyms: 2- thioxo- 1H- benzimidazole- 1,3(2H)- dicarbaldehyde
Smiles: O=Cn1c(=S)n(c2c1cccc2)C=O

STK034132
Synonyms: (6Z)- 6- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCSc3ccc(cc3)Cl)/C2=N)s1

STK034141
Synonyms: 2- (diethylamino)- 6- ethyl- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCN(c1sc2n(n1)c(=O)c(c(n2)C)CC)CC

STK034151
Synonyms: N- (4- ethoxyphenyl)- 5- oxo- 1- [4- (propan- 2- yl)phenyl]pyrrolidine- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)C1CC(=O)N(C1)c1ccc(cc1)C(C)C

STK034161
Synonyms: (2Z)- 2,3- dimethyl- 4- oxo- 4- [(1- phenylethyl)amino]but- 2- enoicacid
Smiles: CC(c1ccccc1)NC(=O)/C(=C(\C(=O)O)/C)/C

STK034169
Synonyms: ethyl4- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=C/c1ccc(c(c1)O)O

STK034183
Synonyms: (4Z)- 4- (4- {2- [2- (butan- 2- yl)phenoxy]ethoxy}benzylidene)- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: CCC(c1ccccc1OCCOc1ccc(cc1)/C=C/1\N=C(OC1=O)c1ccccc1)C

STK034189
Synonyms: ethyl(2- methoxy- 4- {(Z)- [(2Z)- 2- [(4- methylphenyl)imino]- 4- oxo- 3- (2- phenylethyl)- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)acetate
Smiles: CCOC(=O)COc1ccc(cc1OC)/C=C/1\S/C(=N\c2ccc(cc2)C)/N(C1=O)CCc1ccccc1

STK034191
Synonyms: (6Z)- 6- {[1- (4- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- (2- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C

STK034197
Synonyms: ethyl2- {[(2E)- 4- methoxy- 4- oxobut- 2- enoyl]amino}- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)OC)sc2c1CCC2

STK034205
Synonyms: 4- {[(E)- (4- chloro- 3- nitrophenyl)methylidene]amino}benzamide
Smiles: [O-][N+](=O)c1cc(/C=N/c2ccc(cc2)C(=O)N)ccc1Cl

STK034208
Synonyms: 2- {(2E)- 2- [(3E)- 4- (furan- 2- yl)but- 3- en- 2- ylidene]hydrazinyl}quinoline
Smiles: C/C(=N\Nc1ccc2c(n1)cccc2)/C=C/c1ccco1

STK034209
Synonyms: N- [5- ({2- [(4- methylbenzyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3- phenylpropanamide
Smiles: O=C(NCc1ccc(cc1)C)CSc1nnc(s1)NC(=O)CCc1ccccc1

STK034225
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 1- methyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCc2c(Cl)cccc2Cl)nc(c2c1CCCC2)C

STK034238
Synonyms: (2E)- 4- {(1,3- benzodioxol- 5- ylmethyl)[1- (4- bromophenyl)- 2,5- dioxopyrrolidin- 3- yl]amino}- 4- oxobut- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Br)Cc1ccc2c(c1)OCO2

STK034248
Synonyms: 3- nitrophenyl(4- chlorophenyl)carbamate
Smiles: O=C(Oc1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Cl

STK034250
Synonyms: 1- [5- (3- bromobenzyl)- 1,3,4- thiadiazol- 2- yl]- 3- (4- methylphenyl)urea
Smiles: O=C(Nc1nnc(s1)Cc1cccc(c1)Br)Nc1ccc(cc1)C

STK034256
Synonyms: ethyl5- ({[5- (4- chlorophenyl)furan- 2- yl]carbonyl}amino)- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(o1)c1ccc(cc1)Cl

STK034260
Synonyms: 4- chlorophenyl(4- nitrophenyl)carbamate
Smiles: O=C(Oc1ccc(cc1)Cl)Nc1ccc(cc1)[N+](=O)[O-]

STK034272
Synonyms: 5- ({1- [2- (2,5- dimethylphenoxy)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)CCOc2cc(C)ccc2C)C(=O)N1

STK034276
Synonyms: ethyl(2Z)- 5- (2- bromo- 4,5- dimethoxyphenyl)- 7- methyl- 2- [(2- methyl- 1H- indol- 3- yl)methylidene]- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(cc1Br)OC)c(=O)/c(=C/c1c(C)[nH]c3c1cccc3)/s2

STK034277
Synonyms: 2- [(2- bromoprop- 2- en- 1- yl)sulfanyl]- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- amine
Smiles: BrC(=C)CSC1=Nc2c(C(N1)N)c1c(s2)CCCC1

STK034308
Synonyms: (1E)- 1- (hexan- 2- ylidene)- 2- (2- nitrophenyl)hydrazine
Smiles: CCCC/C(=N/Nc1ccccc1[N+](=O)[O-])/C

STK034309
Synonyms: (5E)- 5- (3- ethoxy- 4- methoxybenzylidene)imidazolidine- 2,4- dione
Smiles: CCOc1cc(ccc1OC)/C=C\1/NC(=O)NC1=O

STK034310
Synonyms: 2,2'- [(4- butoxyphenyl)methanediyl]bis[5- (4- methoxyphenyl)cyclohexane- 1,3- dione]
Smiles: CCCCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)C1C(=O)CC(CC1=O)c1ccc(cc1)OC

STK034315
Synonyms: 3,3'- carbonylbis[4- phenyl- 1- (phenylsulfonyl)pyrrolidin- 2- one]
Smiles: O=C(C1C(CN(C1=O)S(=O)(=O)c1ccccc1)c1ccccc1)C1C(CN(C1=O)S(=O)(=O)c1ccccc1)c1ccccc1

STK034318
Synonyms: N- [(E)- {[(2E)- 1- acetyl- 4,6,7- trimethylquinazolin- 2(1H)- ylidene]amino}(amino)methylidene]acetamide
Smiles: CC(=O)/N=C(/N=c/1\nc(C)c2c(n1C(=O)C)cc(c(c2)C)C)\N

STK034319
Synonyms: (2E)- 1- (4- bromophenyl)- 3- [(2- hydroxyphenyl)amino]prop- 2- en- 1- one
Smiles: Brc1ccc(cc1)C(=O)/C=C/Nc1ccccc1O

STK034345
Synonyms: N- (2,4- dichlorophenyl)- 2,3,4,5,6- pentafluorocyclohexanecarboxamide
Smiles: O=C(C1C(F)C(F)C(C(C1F)F)F)Nc1ccc(cc1Cl)Cl

STK034349
Synonyms: 4- hydroxy- 2- oxo- 8- (prop- 2- en- 1- yl)- N- (2- sulfamoylphenyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: C=CCc1cccc2c1[nH]c(=O)c(c2O)C(=O)Nc1ccccc1S(=O)(=O)N

STK034356
Synonyms: ethyl[(5E)- 5- (3- bromo- 4- hydroxy- 5- nitrobenzylidene)- 2,4- dioxo- 1,3- thiazolidin- 3- yl]acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(c(c2)[N+](=O)[O-])O)/C1=O

STK034363
Synonyms: (2Z)- 6- methoxy- 2- [(2- methylphenyl)imino]- N- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]- 2H- chromene- 3- carboxamide
Smiles: COc1ccc2c(c1)cc(/c(=N/c1ccccc1C)/o2)C(=O)Nc1scc(n1)c1ccc2c(c1)cccc2

STK034366
Synonyms: ethyl(2Z)- 2- (3- chloro- 5- ethoxy- 4- hydroxybenzylidene)- 5- (4- ethoxyphenyl)- 7- methyl- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(Cl)c(c(c1)OCC)O)/s2)C(=O)OCC

STK034370
Synonyms: 3- [4- (dimethylamino)phenyl]- 4a- (1H- indol- 3- yl)- 6,8- dimethyl- 2,8- dihydropyrimido[5,4- e][1,2,4]triazine- 5,7(4aH,6H)- dione
Smiles: O=C1N(C)C(=O)C2(C(=NNC(=N2)c2ccc(cc2)N(C)C)N1C)c1c[nH]c2c1cccc2

STK034380
Synonyms: 1- (2- oxo- 2- phenylethyl)- 6- (2- {[4- (propan- 2- yl)phenyl]sulfonyl}ethyl)- 1,2- dihydropyridiniumbromide
Smiles: CC(c1ccc(cc1)S(=O)(=O)CCC1=CC=CC[NH+]1CC(=O)c1ccccc1)C.[Br-]

STK034395
Synonyms: 3- butyl- 1- [(4- methylphenyl)sulfonyl]- 5- (trifluoromethyl)- 4,5- dihydro- 1H- pyrazol- 5- ol
Smiles: CCCCC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C

STK034448
Synonyms: 5- propyl- 2- [4- (trifluoromethoxy)phenyl]pyridine
Smiles: CCCc1ccc(nc1)c1ccc(cc1)OC(F)(F)F

STK034463
Synonyms: N- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]- 2- (4- nitro- 1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: CC(Cc1nnc(s1)NC(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C

STK034468
Synonyms: (4- {[(E)- (2- methylphenyl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: Cc1ccccc1/C=N/c1ccc(cc1)C(=O)c1ccccc1

STK034483
Synonyms: (5E)- 3- (4- bromobenzyl)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]imidazolidine- 2,4- dione
Smiles: CCn1cc(c2c1cccc2)/C=C\1/NC(=O)N(C1=O)Cc1ccc(cc1)Br

STK034498
Synonyms: 1- [3- amino- 4- (4- chlorophenyl)- 6- methyl- 2- (tricyclo[3.3.1.1~3,7~]dec- 1- ylcarbonyl)- 4,7- dihydrothieno[2,3- b]pyridin- 5- yl]ethanone
Smiles: Clc1ccc(cc1)C1C(=C(C)Nc2c1c(N)c(s2)C(=O)C12CC3CC(C2)CC(C1)C3)C(=O)C

STK034499
Synonyms: N- (4- fluorophenyl)- 4- {[(E)- (2- methoxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: COc1ccccc1/C=N/c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F

STK034501
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(E)- (2- hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C/c1ccccc1O

STK034550
Synonyms: 5- (benzylsulfanyl)- 3,4- dimethyl- 1- (4- phenylbutan- 2- yl)- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: CC1=C(C)C(=O)N(C1SCc1ccccc1)C(CCc1ccccc1)C

STK034576
Synonyms: (7Z)- 3- (3- chloro- 4- methylphenyl)- 7- (1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 3,4- dihydro- 2H- [1,3]thiazolo[3,2- a][1,3,5]triazin- 6(7H)- one
Smiles: O=C1N(C)c2c(/C/1=c\1/sc3=NCN(Cn3c1=O)c1ccc(c(c1)Cl)C)cccc2

STK034581
Synonyms: 2,4- dichloro- N- [(5- imino- 2- methyl- 7- oxo- 6,7- dihydro- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6- yl)carbonothioyl]benzamide
Smiles: S=C(C1C(=O)N=c2n(C1=N)nc(s2)C)NC(=O)c1ccc(cc1Cl)Cl

STK034591
Synonyms: (1R,2S)- 2- {[2- (phenoxyacetyl)hydrazinyl]carbonyl}cyclohexanecarboxylicacid
Smiles: O=C(COc1ccccc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O

STK034596
Synonyms: 4- [(2,6- dinitropyridin- 3- yl)amino]benzenesulfonamide
Smiles: [O-][N+](=O)c1nc(ccc1Nc1ccc(cc1)S(=O)(=O)N)[N+](=O)[O-]

STK034598
Synonyms: 2- {4- [(2- chlorobenzyl)oxy]phenyl}- 3- (3,5- dimethylphenyl)- 2,3- dihydroquinazolin- 4(1H)- one
Smiles: Cc1cc(C)cc(c1)N1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OCc1ccccc1Cl

STK034604
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK034632
Synonyms: 2- (1H- indol- 1- yl)- N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)Cn1ccc2c1cccc2)/C

STK034642
Synonyms: 4- (4- {[5- (4- chlorophenyl)benzimidazo[2,1- a]phthalazin- 10- yl]amino}phthalazin- 1- yl)benzamide
Smiles: Clc1ccc(cc1)c1nn2c3ccc(cc3nc2c2c1cccc2)Nc1nnc(c2c1cccc2)c1ccc(cc1)C(=O)N

STK034650
Synonyms: (4E)- 4- [2- (2- iodophenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1/C(=N/Nc2ccccc2I)/C(=NN1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK034658
Synonyms: (4Z)- 2- (1,3- benzothiazol- 2- yl)- 5- (4- methoxyphenyl)- 4- {[(pyridin- 3- ylmethyl)amino]methylidene}- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C\NCc1cccnc1)c1nc2c(s1)cccc2

STK034661
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 3- (4- methylphenyl)- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C/c1ccc(cc1)Br

STK034676
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (4- methylbenzyl)piperidine- 4- carboxamide
Smiles: Cc1ccc(cc1)CNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK034682
Synonyms: N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]- 3- (2,4- dichlorophenyl)- 1H- pyrazole- 5- carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(c1)C(=O)N/N=C/c1c(F)cccc1Cl

STK034683
Synonyms: N- (3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)glycine
Smiles: OC(=O)CNC1=C(Cl)C(=O)c2c(C1=O)cccc2

STK034687
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- N- (2- methoxyethyl)- 3- oxo- 3- phenylpropanamide
Smiles: COCCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK034699
Synonyms: 4- (2- methyl- 2- phenylhydrazinyl)- 4- oxobutanoicacid
Smiles: CN(c1ccccc1)NC(=O)CCC(=O)O

STK034700
Synonyms: 2- {1- [4- (2- hydroxyethyl)piperazin- 1- yl]- 1- oxopropan- 2- yl}- 1H- isoindole- 1,3(2H)- dione
Smiles: OCCN1CCN(CC1)C(=O)C(N1C(=O)c2c(C1=O)cccc2)C

STK034738
Synonyms: 1- (2- methyl- 1H- indol- 3- yl)butan- 1- one
Smiles: CCCC(=O)c1c(C)[nH]c2c1cccc2

STK034768
Synonyms: 3,3,6- trimethyl- 2- phenyloctahydro- 1H- indazole
Smiles: CC1CCC2C(C1)NN(C2(C)C)c1ccccc1

STK034776
Synonyms: 1- [4- (4- methoxyphenyl)butan- 2- yl]piperidine- 4- carboxylicacid
Smiles: COc1ccc(cc1)CCC(N1CCC(CC1)C(=O)O)C

STK034788
Synonyms: ethyl4- {[1- (3- methylphenyl)- 1H- pyrazolo[3,4- d]pyrimidin- 4- yl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)Nc1ncnc2c1cnn2c1cccc(c1)C

STK034790
Synonyms: N- {[1- (1H- indol- 3- yl)propan- 2- yl]carbamoyl}- 4- methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)NC(=O)NC(Cc1c[nH]c2c1cccc2)C

STK034799
Synonyms: 2- {[2- (5- methoxy- 1H- indol- 3- yl)ethyl]amino}ethanol
Smiles: COc1cc2c(CCNCCO)c[nH]c2cc1

STK034805
Synonyms: 5- methyl- 5- {2- [(4- nitrophenyl)amino]- 1,3- thiazol- 4- yl}dihydrofuran- 2(3H)- one
Smiles: O=C1CCC(O1)(C)c1csc(n1)Nc1ccc(cc1)[N+](=O)[O-]

STK034812
Synonyms: 5- (3- chloro- 5- ethoxy- 4- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethoxy}benzylidene)- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1cc(C)ccc1C(C)C)Cl

STK034815
Synonyms: N- (2- bromo- 4- nitrophenyl)biphenyl- 4- carboxamide
Smiles: O=C(c1ccc(cc1)c1ccccc1)Nc1ccc(cc1Br)[N+](=O)[O-]

STK034824
Synonyms: (5- methoxy- 1H- indol- 3- yl)methanol
Smiles: COc1ccc2c(c1)c(CO)c[nH]2

STK034830
Synonyms: N- [1- (2,4- dichlorophenyl)- 1- hydroxy- 4,4- dimethyl- 3- oxopentan- 2- yl]formamide
Smiles: O=CNC(C(=O)C(C)(C)C)C(c1ccc(cc1Cl)Cl)O

STK034838
Synonyms: 2- [3- (acetylamino)phenoxy]- N- (3- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)COc1cccc(c1)NC(=O)C

STK034856
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl4- methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)OC1CN2CCC1CC2

STK034899
Synonyms: N- ethyl- 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (2- methylprop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)CC(=C)C

STK034912
Synonyms: 2- (1H- benzimidazol- 2- ylamino)quinazolin- 4(1H)- one
Smiles: O=c1nc(Nc2nc3c([nH]2)cccc3)[nH]c2c1cccc2

STK034913
Synonyms: 3- (4- chlorophenyl)- 5- (4- pentylphenyl)- 1,2,4- oxadiazole
Smiles: CCCCCc1ccc(cc1)c1onc(n1)c1ccc(cc1)Cl

STK034923
Synonyms: methyl(19Z)- 17- hydroxy- 4- methyl- 2,7- dihydro- 7,17- cyclocoryn- 19- en- 4- ium- 16- carboxylate
Smiles: COC(=O)C1C2CC3C4C(C1O)(CC[N+]3(C/C/2=C\C)C)c1ccccc1N4

STK034942
Synonyms: N- (3- chloro- 4- methylphenyl)- 2- methylbenzamide
Smiles: O=C(c1ccccc1C)Nc1ccc(c(c1)Cl)C

STK034957
Synonyms: N- [3- cyano- 4- (3- nitrophenyl)- 4H- benzo[h]chromen- 2- yl]- 2- methoxybenzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2OC)Oc2c(C1c1cccc(c1)[N+](=O)[O-])ccc1c2cccc1

STK034983
Synonyms: N- [cyclopentyl(phenyl)methyl]- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)propanamide
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)C)NC(c1ccccc1)C1CCCC1

STK034997
Synonyms: ethyl3- (4- methoxyphenyl)- 1,3- thiazolidine- 2- carboxylate
Smiles: CCOC(=O)C1SCCN1c1ccc(cc1)OC

STK035025
Synonyms: 2- (diethylamino)ethyl2- methoxybenzoate
Smiles: CCN(CCOC(=O)c1ccccc1OC)CC

STK035038
Synonyms: 3- methyl- 5- oxo- 5- [(1- phenyl- 1H- pyrazol- 3- yl)amino]- 2- (propan- 2- yl)pentanoate
Smiles: CC(C(C(=O)[O-])C(C)C)CC(=O)Nc1ccn(n1)c1ccccc1

STK035073
Synonyms: 2- chloro- N- (2,6- dimethyl- 4H- pyran- 4- ylidene)benzenesulfonamide
Smiles: Cc1c/c(=N/S(=O)(=O)c2ccccc2Cl)/cc(o1)C

STK035074
Synonyms: 2- [2- (7- methoxy- 4- nitro- 1H- indol- 3- yl)ethyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(c2c1[nH]cc2CCN1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

STK035126
Synonyms: 1- (4- phenyl- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl)heptan- 2- ol
Smiles: CCCCCC(Cc1nnc(n1c1ccccc1)S)O

STK035193
Synonyms: 2- [4- (tert- butylamino)- 6- (morpholin- 4- yl)- 1,3,5- triazin- 2- yl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)Cc1nc(nc(n1)N1CCOCC1)NC(C)(C)C

STK035215
Synonyms: (2E)- 3- (3- nitrophenyl)- N- [4- (phenylcarbonyl)phenyl]prop- 2- enamide
Smiles: O=C(Nc1ccc(cc1)C(=O)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]

STK035226
Synonyms: N- (2,4- dioxo- 1,2,3,4- tetrahydropyrimidin- 5- yl)- 1,3- dioxo- 2- (pyridin- 2- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccccn1)Nc1c[nH]c(=O)[nH]c1=O

STK035238
Synonyms: [3- (acetyloxy)- 3- (4- cyclopropylphenyl)propyl](chloro)mercury
Smiles: Cl[Hg]CCC(c1ccc(cc1)C1CC1)OC(=O)C

STK035244
Synonyms: ethyl4- cyano- 2- oxo- 1,8- dioxaspiro[4.5]decane- 3- carboxylate
Smiles: CCOC(=O)C1C(=O)OC2(C1C#N)CCOCC2

STK035272
Synonyms: 1- [(4- fluorophenyl)sulfonyl]- 2- methyl- N- phenyl- 1,2,3,4- tetrahydroquinolin- 4- amine
Smiles: Fc1ccc(cc1)S(=O)(=O)N1C(C)CC(c2c1cccc2)Nc1ccccc1

STK035321
Synonyms: N'- [(E)- (4- {2- [4- (hexyloxy)phenoxy]ethoxy}phenyl)methylidene]pyridine- 4- carbohydrazide
Smiles: CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1)/C=N/NC(=O)c1ccncc1

STK035367
Synonyms: 6- amino- 2- tert- butyl- 4- (2,4- dimethoxyphenyl)- 5- (iminomethyl)- 4H- pyran- 3- carbonitrile
Smiles: N=CC1=C(N)OC(=C(C1c1ccc(cc1OC)OC)C#N)C(C)(C)C

STK035383
Synonyms: N- methyl- N- (4- {[(E)- naphthalen- 2- ylmethylidene]amino}phenyl)acetamide
Smiles: CC(=O)N(c1ccc(cc1)/N=C/c1ccc2c(c1)cccc2)C

STK035400
Synonyms: N- [4- bromo- 3- (trifluoromethyl)phenyl]- 4- methyl- 3,5- dinitrobenzamide
Smiles: O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)Nc1ccc(c(c1)C(F)(F)F)Br

STK035415
Synonyms: (9xi,11alpha,17xi,22S)- 2,3,11,14,20,22,25- heptahydroxycholest- 7- en- 6- one
Smiles: O[C@@H]1C[C@]2(C)C(CC[C@]2(C2=CC(=O)C3[C@](C12)(C)CC(O)C(C3)O)O)[C@]([C@H](CCC(O)(C)C)O)(O)C

STK035431
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- N'- propylbutanediamide
Smiles: CCCNC(=O)CCC(=O)NCCC1=CCCCC1

STK035461
Synonyms: 4- [(4Z)- 4- (4- ethoxybenzylidene)- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: CCOc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

STK035466
Synonyms: 4- ({1- [4- (benzyloxy)- 3- methoxyphenyl]- 2- methoxy- 2- oxoethyl}amino)- 4- oxobutanoicacid
Smiles: COC(=O)C(c1ccc(c(c1)OC)OCc1ccccc1)NC(=O)CCC(=O)O

STK035482
Synonyms: 3- (4- methylphenyl)- 6,7- diphenyl- 1,4- dihydroimidazo[2,1- c][1,2,4]triazine
Smiles: Cc1ccc(cc1)C1=NNc2n(C1)c(c1ccccc1)c(n2)c1ccccc1

STK035490
Synonyms: N- tert- butyl- 4- chloro- N- (4- nitrobenzyl)benzamide
Smiles: Clc1ccc(cc1)C(=O)N(C(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-]

STK035495
Synonyms: methyl2- [(4- methoxy- 4- oxobutanoyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxylate
Smiles: COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCC2

STK035496
Synonyms: (2Z)- N- (3- ethoxyphenyl)- 2- (hydroxyimino)- 8- methoxy- 2H- chromene- 3- carboxamide
Smiles: CCOc1cccc(c1)NC(=O)c1cc2cccc(c2o/c/1=N\O)OC

STK035534
Synonyms: {1- [4- (benzyloxy)benzyl]piperidin- 4- yl}(piperidin- 1- yl)methanone
Smiles: O=C(N1CCCCC1)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1

STK035549
Synonyms: 5- hydroxy- 1- (4- methoxybenzyl)- 3,4- dimethyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: COc1ccc(cc1)CN1C(=O)C(=C(C1O)C)C

STK035553
Synonyms: 3- iodo- 5- nitrobenzoicacid
Smiles: Ic1cc(cc(c1)C(=O)O)[N+](=O)[O-]

STK035561
Synonyms: 2,4- dichloro- 5- {[4- (diphenylmethyl)piperazin- 1- yl]carbonyl}benzenesulfonamide
Smiles: Clc1cc(Cl)c(cc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)N

STK035569
Synonyms: [(3- imino- 3H- 1,2,4- dithiazol- 5- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc(=N)ss1

STK035576
Synonyms: N- (biphenyl- 4- yl)- 2- [(6- ethoxy- 4- methylquinazolin- 2- yl)amino]- 6- oxo- 1,4,5,6- tetrahydropyrimidine- 4- carboxamide
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)NC1=NC(CC(=O)N1)C(=O)Nc1ccc(cc1)c1ccccc1

STK035591
Synonyms: propyl4- {[(E)- (3,4- dihydroxyphenyl)methylidene]amino}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)/N=C/c1ccc(c(c1)O)O

STK035641
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- 1H- benzimidazol- 2- ylmethylidene]- 5- phenyl- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1c1ccccc1)C(=O)N/N=C/c1nc2c([nH]1)cccc2

STK035658
Synonyms: N- (acridin- 9- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1c2ccccc2nc2c1cccc2

STK035687
Synonyms: (4Z)- 4- [2- (4- fluorophenyl)hydrazinylidene]- 5- methyl- 2- [5- (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)c1ncc(s1)c1cccc(c1)[N+](=O)[O-])C

STK035700
Synonyms: 2- (biphenyl- 2- yl)- N- (2- methylpropyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: CC(CNC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccccc1c1ccccc1)C

STK035711
Synonyms: 4- cyanophenyl2- chloro- 4- hydroxybenzoate
Smiles: N#Cc1ccc(cc1)OC(=O)c1ccc(cc1Cl)O

STK035721
Synonyms: (5Z)- 1- benzyl- 5- [(tricyclo[3.3.1.1~3,7~]dec- 1- ylamino)methylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)/C(=C/NC23CC4CC(C3)CC(C2)C4)/C(=O)N1Cc1ccccc1

STK035748
Synonyms: N- butyl- 1- (2- phenylpropyl)piperidine- 4- carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)CC(c1ccccc1)C

STK035756
Synonyms: (5Z)- 5- (3- chloro- 4- hydroxybenzylidene)imidazolidine- 2,4- dione
Smiles: O=C1NC(=O)/C(=C/c2ccc(c(c2)Cl)O)/N1

STK035798
Synonyms: 1- [2- (dimethylamino)ethyl]- 1H- benzimidazol- 2- amine
Smiles: CN(CCn1c(N)nc2c1cccc2)C

STK035824
Synonyms: 5- methyl- 2- (6- pentyl- 5,6,7,8- tetrahydroquinolin- 2- yl)phenol
Smiles: CCCCCC1CCc2c(C1)ccc(n2)c1ccc(cc1O)C

STK035855
Synonyms: 5- nitro- 2- {(E)- [(3- nitrophenyl)imino]methyl}phenol
Smiles: Oc1cc(ccc1/C=N/c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK035877
Synonyms: 4- benzyl- 2- {(E)- [(2,5- dimethylphenyl)imino]methyl}- 6- nitrophenol
Smiles: Cc1ccc(c(c1)/N=C/c1cc(Cc2ccccc2)cc(c1O)[N+](=O)[O-])C

STK035894
Synonyms: 1- [5- hydroxy- 1- (4- iodophenyl)- 2- methyl- 1H- indol- 3- yl]ethanone
Smiles: Ic1ccc(cc1)n1c(C)c(c2c1ccc(c2)O)C(=O)C

STK035899
Synonyms: 4- {[(2E)- 3- {3- [(4- bromobenzyl)oxy]phenyl}- 2- cyanoprop- 2- enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cccc(c1)OCc1ccc(cc1)Br)/C(=O)Nc1ccc(cc1)C(=O)O

STK035924
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- chloro- 3- methylphenoxy)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)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK036042
Synonyms: 2- (5- chloro- 1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- isoindol- 2- yl)- 3- (1H- imidazol- 4- yl)propanoicacid
Smiles: ClC1=CCC2C(C1)C(=O)N(C2=O)C(C(=O)O)Cc1nc[nH]c1

STK036046
Synonyms: 2- amino- 7- hydroxy- 4- phenyl- 3,4- dihydro- 2H- chromene- 3- carbonitrile
Smiles: N#CC1C(N)Oc2c(C1c1ccccc1)ccc(c2)O

STK036106
Synonyms: N- (4- methylpyrimidin- 2- yl)- 4- {[(1Z)- 4,4,6,8- tetramethyl- 4,5- dihydro- 1H- [1,2]dithiolo[3,4- c]quinolin- 1- ylidene]amino}benzenesulfonamide
Smiles: Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)/N=c/1\ssc2c1c1cc(C)cc(c1NC2(C)C)C

STK036124
Synonyms: 2- (cyclohexylsulfanyl)- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1CCCCC1

STK036131
Synonyms: ethyl(2E)- 5- (4- chlorophenyl)- 7- methyl- 3- oxo- 2- {3- [(phenylsulfonyl)oxy]benzylidene}- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cccc(c1)OS(=O)(=O)c1ccccc1)/s2

STK036135
Synonyms: bis(4- nitrophenyl)methanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

STK036149
Synonyms: 2- (2- methylphenyl)- 5- [4- (4- propylcyclohexyl)phenyl]- 1,3,4- thiadiazole
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1nnc(s1)c1ccccc1C

STK036150
Synonyms: (6Z)- 6- [3- bromo- 5- ethoxy- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK036156
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- N'- [(1E)- 1- (4- methoxyphenyl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)CSc1nc2c([nH]1)cccc2)/C

STK036189
Synonyms: 1,3- diphenyl- 2- (1H- pyrrol- 2- yl)imidazolidine
Smiles: c1ccc(cc1)N1CCN(C1c1ccc[nH]1)c1ccccc1

STK036198
Synonyms: 5- (3- methylphenyl)- 3- [4'- propyl- 1,1'- bi(cyclohexyl)- 4- yl]- 1,2,4- oxadiazole
Smiles: CCCC1CCC(CC1)C1CCC(CC1)c1noc(n1)c1cccc(c1)C

STK036218
Synonyms: N- (2,6- dimethylphenyl)- 2- methyl- N~2~- [2- (2,4,5- trichlorophenoxy)propanoyl]alaninamide
Smiles: O=C(C(Oc1cc(Cl)c(cc1Cl)Cl)C)NC(C(=O)Nc1c(C)cccc1C)(C)C

STK036237
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [3- (4- methylphenoxy)propoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCCOc1ccc(cc1)C)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK036238
Synonyms: 4- [(2E)- 2- (4- bromobenzylidene)hydrazinyl]- 2,6- di(pyrrolidin- 1- yl)pyrimidine
Smiles: Brc1ccc(cc1)/C=N/Nc1cc(nc(n1)N1CCCC1)N1CCCC1

STK036242
Synonyms: 2- [(2- hydroxyethyl)amino]- 4,6- diphenylpyridine- 3- carbonitrile
Smiles: OCCNc1nc(cc(c1C#N)c1ccccc1)c1ccccc1

STK036280
Synonyms: 2- [(pyridin- 2- ylmethyl)carbamoyl]cyclohex- 1- ene- 1- carboxylicacid
Smiles: O=C(C1=C(CCCC1)C(=O)O)NCc1ccccn1

STK036295
Synonyms: (6Z)- 6- {3- ethoxy- 5- iodo- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1cccc(c1)C)I)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK036321
Synonyms: 4,4'- (benzene- 1,4- diyldicarbonyl)dibenzene- 1,2- dicarboxylicacid
Smiles: O=C(c1ccc(c(c1)C(=O)O)C(=O)O)c1ccc(cc1)C(=O)c1ccc(c(c1)C(=O)O)C(=O)O

STK036322
Synonyms: 1- {4,6- bis[1,1,1,3,3,3- hexafluoro- 2- (trifluoromethyl)propan- 2- yl]- 1,3,5- triazin- 2- yl}- 1H- benzotriazole
Smiles: FC(C(C(F)(F)F)(C(F)(F)F)c1nc(nc(n1)n1nnc2c1cccc2)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F

STK036328
Synonyms: (2Z)- 8- methoxy- 2- [(4- methoxyphenyl)imino]- N- (pyridin- 4- yl)- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1)OC)/c(c2)C(=O)Nc1ccncc1

STK036336
Synonyms: 1- (1,3- benzoxazol- 2- yl)- 2- [1- (4,4- dimethyl- 2,6- dioxocyclohexylidene)ethyl]guanidine
Smiles: N/C(=N\C(=C1C(=O)CC(CC1=O)(C)C)C)/Nc1nc2c(o1)cccc2

STK036340
Synonyms: 8- methyl- 4- phenyl- 1- sulfanyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(S)nn2)c1ccccc1

STK036347
Synonyms: (6Z)- 6- {3- chloro- 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)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK036351
Synonyms: 1- [4- (benzyloxy)benzyl]- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1)C

STK036395
Synonyms: 3,5- dimethoxy- N- (pyridin- 4- yl)benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1ccncc1

STK036422
Synonyms: N,N'- ethane- 1,2- diylbistricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NCCNC(=O)C12CC3CC(C2)CC(C1)C3

STK036427
Synonyms: methyl5- hydroxy- 2- methyl- 1- propyl- 1H- benzo[g]indole- 3- carboxylate
Smiles: CCCn1c(C)c(c2c1c1ccccc1c(c2)O)C(=O)OC

STK036459
Synonyms: 1,3- dioxo- N,2- di(pyridin- 2- yl)- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccccn1)Nc1ccccn1

STK036461
Synonyms: 2- amino- 5,5- dimethyl- 4,7- dihydro- 5H- thieno[2,3- c]thiopyran- 3- carbohydrazide
Smiles: NNC(=O)c1c(N)sc2c1CC(C)(C)SC2

STK036498
Synonyms: 3,3'- (1H,3'H- 5,5'- bibenzimidazole- 2,2'- diyl)dianiline
Smiles: Nc1cccc(c1)c1nc2c([nH]1)cc(cc2)c1ccc2c(c1)nc([nH]2)c1cccc(c1)N

STK036513
Synonyms: 2- amino- 6- {[2- (4- butylphenyl)- 2- oxoethyl]sulfanyl}- 4- (furan- 2- yl)pyridine- 3,5- dicarbonitrile
Smiles: CCCCc1ccc(cc1)C(=O)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N

STK036526
Synonyms: (2Z)- 2- (3- bromo- 5- chloro- 4- hydroxybenzylidene)- 5- (4- methoxyphenyl)- 7- methyl- 3- oxo- N- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxamide
Smiles: COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(Cl)c(c(c1)Br)O)/s2)C(=O)Nc1ccccc1

STK036529
Synonyms: (6Z)- 5- imino- 6- (4- nitrobenzylidene)- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)[N+](=O)[O-])/C2=N)s1

STK036552
Synonyms: (2Z)- 3- benzyl- 2- [(2E)- (furan- 2- ylmethylidene)hydrazinylidene]- 1,3- thiazolidin- 4- one
Smiles: O=C1CS/C(=N\N=C\c2ccco2)/N1Cc1ccccc1

STK036587
Synonyms: N- (9- ethyl- 9H- carbazol- 3- yl)- 4- oxo- 4- {2- [(5- phenylfuran- 2- yl)carbonyl]hydrazinyl}butanamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)CCC(=O)NNC(=O)c1ccc(o1)c1ccccc1

STK036588
Synonyms: 8- [(3,4- dichlorobenzyl)sulfanyl]quinoline
Smiles: Clc1cc(ccc1Cl)CSc1cccc2c1nccc2

STK036598
Synonyms: dimethyl[(2- methyl- 1H- indol- 3- yl)methyl]propanedioate
Smiles: COC(=O)C(C(=O)OC)Cc1c(C)[nH]c2c1cccc2

STK036601
Synonyms: 2- [(4- nitrophenyl)carbonyl]hydrazinecarbothioamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NNC(=S)N

STK036603
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- (pyridin- 3- ylmethyl)piperidine- 4- carboxamide
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCC(CC1)C(=O)NCc1cccnc1

STK036626
Synonyms: 3- chloro- N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]benzamide
Smiles: Clc1ccc(cc1)c1csc(n1)NC(=O)c1cccc(c1)Cl

STK036652
Synonyms: (2E)- N- (4- fluorophenyl)- 3- [5- (2- nitrophenyl)furan- 2- yl]prop- 2- enamide
Smiles: O=C(Nc1ccc(cc1)F)/C=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK036663
Synonyms: N- (2,5- dimethylphenyl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: Cc1ccc(c(c1)NC(=O)c1n[nH]cn1)C

STK036673
Synonyms: methyl(4Z)- 4- (3- hydroxybenzylidene)- 2- methyl- 5- oxo- 1- (prop- 2- en- 1- yl)- 4,5- dihydro- 1H- pyrrole- 3- carboxylate
Smiles: C=CCN1C(=O)/C(=C\c2cccc(c2)O)/C(=C1C)C(=O)OC

STK036685
Synonyms: 1- [5- (4- chlorobenzyl)- 1,3,4- thiadiazol- 2- yl]- 3- (3,4- dimethylphenyl)urea
Smiles: O=C(Nc1ccc(c(c1)C)C)Nc1nnc(s1)Cc1ccc(cc1)Cl

STK036696
Synonyms: 2,4- dibromo- 6- [(E)- {2- [(naphthalen- 1- ylamino)acetyl]hydrazinylidene}methyl]phenyl3- fluorobenzoate(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)N/N=C/c1cc(Br)cc(c1OC(=O)c1cccc(c1)F)Br

STK036709
Synonyms: 2- [(4,7- dimethylquinazolin- 2- yl)amino]- 5- (pentan- 2- yl)pyrimidine- 4,6- diol
Smiles: CCCC(c1c(O)nc(nc1O)Nc1nc(C)c2c(n1)cc(cc2)C)C

STK036737
Synonyms: N- {1- [2- (4- fluorophenoxy)ethyl]- 1H- benzimidazol- 2- yl}benzamide
Smiles: Fc1ccc(cc1)OCCn1c(NC(=O)c2ccccc2)nc2c1cccc2

STK036739
Synonyms: (2E)- 2- {3- [3- (4- ethylphenoxy)propoxy]benzylidene}- N- phenylhydrazinecarboxamide
Smiles: CCc1ccc(cc1)OCCCOc1cccc(c1)/C=N/NC(=O)Nc1ccccc1

STK036800
Synonyms: (6E)- 2- butyl- 6- {4- [2- (3,5- dimethylphenoxy)ethoxy]- 3- ethoxybenzylidene}- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OCC)OCCOc3cc(C)cc(c3)C)/C2=N)s1

STK036807
Synonyms: [4- (4- methoxyphenyl)- 6,8,9- trimethyl- 3- oxabicyclo[3.3.1]non- 6- en- 1- yl]methylpropanoate
Smiles: CCC(=O)OCC12COC(C(C2C)C(=CC1C)C)c1ccc(cc1)OC

STK036816
Synonyms: 2- methoxy- 4- (4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)phenyl4- methylbenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK036819
Synonyms: N,N'- bis(4- methoxybenzyl)butanediamide
Smiles: COc1ccc(cc1)CNC(=O)CCC(=O)NCc1ccc(cc1)OC

STK036898
Synonyms: 3- ethyl- 2- [(4- nitrobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK036929
Synonyms: 2- amino- 8- (4- methylpiperidin- 1- yl)- 9- pentofuranosyl- 1,2,3,9- tetrahydro- 6H- purin- 6- one
Smiles: OCC1OC(C(C1O)O)n1c(nc2c1NC(N)NC2=O)N1CCC(CC1)C

STK036936
Synonyms: N- [(E)- (2,4- dimethoxyphenyl)methylidene]- 4- iodo- 2- methylaniline
Smiles: COc1cc(OC)ccc1/C=N/c1ccc(cc1C)I

STK036951
Synonyms: 3- (9- benzyl- 2,3,4,9- tetrahydro- 1H- carbazol- 1- yl)propanenitrile
Smiles: N#CCCC1CCCc2c1n(Cc1ccccc1)c1c2cccc1

STK036967
Synonyms: 3- cyano- 4- (4- methylphenyl)- 6- oxo- 5- (pyridinium- 1- yl)- 1,4,5,6- tetrahydropyridin- 2- olate
Smiles: N#CC1=C([O-])NC(=O)C(C1c1ccc(cc1)C)[n+]1ccccc1

STK036989
Synonyms: N- [(E)- (9- ethyl- 9H- carbazol- 3- yl)methylidene]- 4- methoxy- 2- nitroaniline
Smiles: COc1ccc(c(c1)[N+](=O)[O-])/N=C/c1ccc2c(c1)c1ccccc1n2CC

STK037010
Synonyms: 7- (furan- 2- yl)- 4,5- dihydro- 6H- imidazo[4,5- e][2,1,3]benzoxadiazol- 6- ol
Smiles: On1c(nc2c1CCc1c2non1)c1ccco1

STK037030
Synonyms: 4- {(E)- [(2- methyl- 5- nitrophenyl)imino]methyl}benzene- 1,2- diol
Smiles: Cc1ccc(cc1/N=C/c1ccc(c(c1)O)O)[N+](=O)[O-]

STK037034
Synonyms: 2- [(E)- (1H- benzimidazol- 2- ylimino)methyl]- 4- nitrophenol
Smiles: Oc1ccc(cc1/C=N/c1nc2c([nH]1)cccc2)[N+](=O)[O-]

STK037084
Synonyms: 2- {[2- (diethylamino)ethyl]sulfanyl}- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCN(CCSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)CC

STK037092
Synonyms: 4- (5- {(Z)- [5- imino- 2- (2- methylphenyl)- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1)C(=O)O)c1ccccc1C

STK037096
Synonyms: 1- [4- (benzyloxy)benzyl]- N- [2- (dimethylamino)ethyl]piperidine- 4- carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1)C

STK037100
Synonyms: 5- bromo- 3- [2- (2,5- dimethylphenyl)- 2- oxoethyl]- 3- hydroxy- 1,3- dihydro- 2H- indol- 2- one
Smiles: Cc1ccc(c(c1)C(=O)CC1(O)C(=O)Nc2c1cc(Br)cc2)C

STK037138
Synonyms: methyl{2- imino- 3- [2- (pyrrolidin- 1- yl)ethyl]- 2,3- dihydro- 1H- benzimidazol- 1- yl}acetate
Smiles: COC(=O)Cn1c(=N)n(c2c1cccc2)CCN1CCCC1

STK037151
Synonyms: 4- (methylamino)- 2- {4- [(5- methylhexyl)oxy]phenyl}- 4- oxobutanoicacid
Smiles: CNC(=O)CC(c1ccc(cc1)OCCCCC(C)C)C(=O)O

STK037155
Synonyms: 2,4- dichloro- N- (1- methyl- 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)benzamide(non- preferredname)
Smiles: Clc1ccc(c(c1)Cl)C(=O)NN1C(=O)C2C(C1=O)C1(C)c3c(C2c2c1cccc2)cccc3

STK037164
Synonyms: 4- (6- methyl- 1,3- benzothiazol- 2- yl)- N- [(E)- (5- methylfuran- 2- yl)methylidene]aniline
Smiles: Cc1ccc(o1)/C=N/c1ccc(cc1)c1sc2c(n1)ccc(c2)C

STK037184
Synonyms: (1E,2E)- bis[(2E)- 3- phenylprop- 2- en- 1- ylidene]hydrazine
Smiles: C(=C\c1ccccc1)/C=N/N=C/C=C/c1ccccc1

STK037203
Synonyms: 5- hydrazinyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: NNc1nc2sc3c(c2c2n1ncn2)CC(OC3)(C)C

STK037207
Synonyms: N- [3,4- dimethyl- 5- oxo- 1- (4- phenylbutan- 2- yl)- 2,5- dihydro- 1H- pyrrol- 2- yl]acetamide
Smiles: CC(=O)NC1C(=C(C(=O)N1C(CCc1ccccc1)C)C)C

STK037225
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- {(3E)- 5- bromo- 1- [(dipropylamino)methyl]- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene}acetohydrazide
Smiles: CCCN(CN1C(=O)/C(=N/NC(=O)CSc2nc3c(s2)cccc3)/c2c1ccc(c2)Br)CCC

STK037247
Synonyms: 2- [4- (dimethylamino)phenyl]- N- [(1E,2E)- 3- (3- nitrophenyl)prop- 2- en- 1- ylidene]- 1,3- benzoxazol- 5- amine
Smiles: CN(c1ccc(cc1)c1oc2c(n1)cc(cc2)/N=C/C=C/c1cccc(c1)[N+](=O)[O-])C

STK037255
Synonyms: N- (1- benzyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl)- 2- [4- (phenylcarbonyl)piperazin- 1- yl]acetamide
Smiles: O=C(Nc1c2CCN(c2nc2c1cccc2)Cc1ccccc1)CN1CCN(CC1)C(=O)c1ccccc1

STK037286
Synonyms: (1R,7aS)- hexahydro- 1H- pyrrolizin- 1- ylmethyl2,3- dihydroxy- 2- (propan- 2- yl)butanoate
Smiles: CC(C(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(O)C)O)C

STK037320
Synonyms: N- [5- (trifluoromethyl)- 1,3,4- thiadiazol- 2- yl]methanesulfonamide
Smiles: FC(c1nnc(s1)NS(=O)(=O)C)(F)F

STK037337
Synonyms: N- {[4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]carbamothioyl}hexanamide
Smiles: CCCCCC(=O)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2

STK037351
Synonyms: N- (1- methyl- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl)propanamide
Smiles: CCC(=O)Nc1c2CCN(c2nc2c1cccc2)C

STK037394
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- (2- ethoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCOc1ccccc1N1C(=O)CC(C1=O)n1cnc2c1cccc2

STK037414
Synonyms: 3- [(4- bromophenyl)amino]- 3- phenyl- 2- benzofuran- 1(3H)- one
Smiles: Brc1ccc(cc1)NC1(OC(=O)c2c1cccc2)c1ccccc1

STK037416
Synonyms: N- (4- {[(2- bromophenyl)carbonyl]amino}phenyl)thiophene- 2- carboxamide
Smiles: O=C(c1cccs1)Nc1ccc(cc1)NC(=O)c1ccccc1Br

STK037429
Synonyms: 1- (6- chlorohexyl)- 3- (4- chlorophenyl)urea
Smiles: ClCCCCCCNC(=O)Nc1ccc(cc1)Cl

STK037430
Synonyms: (1E)- 1- (4- ethoxy- 4- oxobutan- 2- ylidene)- 3,5,5- trimethyl- 4,5- dihydro- 1H- pyrazol- 1- ium
Smiles: CCOC(=O)C/C(=[N+]\1/N=C(CC1(C)C)C)/C

STK037450
Synonyms: N- (1H- indol- 3- ylmethyl)- N- methyl- 2- (pyridin- 2- yl)ethanamine
Smiles: CN(Cc1c[nH]c2c1cccc2)CCc1ccccn1

STK037463
Synonyms: 6- oxo- N,4- diphenyl- 2- (phenylamino)cyclohex- 1- ene- 1- carboxamide
Smiles: O=C1CC(CC(=C1C(=O)Nc1ccccc1)Nc1ccccc1)c1ccccc1

STK037501
Synonyms: (2Z)- 2- [(2,4- dichlorophenyl)imino]- N- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: CCOc1ccc2c(c1)sc(n2)NC(=O)c1cc2ccccc2o/c/1=N\c1ccc(cc1Cl)Cl

STK037514
Synonyms: 3- (3,3- dichloroprop- 2- en- 1- yl)- 8- methoxy- 2- methylquinolin- 4- ol
Smiles: COc1cccc2c1nc(C)c(c2O)CC=C(Cl)Cl

STK037536
Synonyms: 2- {(E)- 2- [5- (4- bromophenyl)furan- 2- yl]ethenyl}quinoline- 4- carboxylicacid
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C/c1nc2ccccc2c(c1)C(=O)O

STK037552
Synonyms: 1- [2- (4- ethoxyphenyl)- 1- hydroxy- 4- methyl- 1H- imidazol- 5- yl]ethanone
Smiles: CCOc1ccc(cc1)c1nc(c(n1O)C(=O)C)C

STK037554
Synonyms: 2- (2- ethoxybenzyl)- 1,2,3,4- tetrahydroisoquinoline
Smiles: CCOc1ccccc1CN1CCc2c(C1)cccc2

STK037555
Synonyms: 4- [(carboxymethyl)(phenylcarbonyl)amino]- 3- phenylbutanoicacid
Smiles: OC(=O)CC(c1ccccc1)CN(C(=O)c1ccccc1)CC(=O)O

STK037558
Synonyms: 1- (3- bromophenyl)- 2- [(5- methoxy- 1H- benzimidazol- 2- yl)sulfanyl]ethanone
Smiles: COc1ccc2c(c1)nc([nH]2)SCC(=O)c1cccc(c1)Br

STK037560
Synonyms: 3,5- dinitro- N- [3- (trifluoromethyl)phenyl]benzamide
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Nc1cccc(c1)C(F)(F)F

STK037570
Synonyms: 2- {[2- amino- 5- cyano- 6- (methylsulfanyl)pyrimidin- 4- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nc(N)nc(c1C#N)SC

STK037588
Synonyms: 3- bromo- N- (pyridin- 2- yl)benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccccn1

STK037649
Synonyms: 5- [(E)- (4- bromophenyl)diazenyl]- 2- hydroxy- 3- methoxybenzaldehyde
Smiles: COc1cc(/N=N/c2ccc(cc2)Br)cc(c1O)C=O

STK037659
Synonyms: ethyl2- cyano- 3- (5- hydroxy- 3- methyl- 1H- pyrazol- 4- yl)- 3- (pyridin- 3- yl)propanoate
Smiles: CCOC(=O)C(C(c1c(O)[nH]nc1C)c1cccnc1)C#N

STK037697
Synonyms: N- (7- hydroxy- 5- phenyl[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)propanamide
Smiles: CCC(=O)Nc1nc2n(n1)c(O)cc(n2)c1ccccc1

STK037708
Synonyms: (3Z,3'Z)- 3,3'- (benzene- 1,2- diyldinitrilo)bis(1,3- dihydro- 2H- indol- 2- one)
Smiles: O=C1Nc2c(/C/1=N/c1ccccc1/N=C/1\C(=O)Nc3c1cccc3)cccc2

STK037720
Synonyms: 2- (2- ethoxy- 4- {(Z)- [(2Z)- 2- [(4- methylphenyl)imino]- 4- oxo- 3- (2- phenylethyl)- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)acetamide
Smiles: CCOc1cc(ccc1OCC(=O)N)/C=C/1\S/C(=N\c2ccc(cc2)C)/N(C1=O)CCc1ccccc1

STK037753
Synonyms: N- ethyl- N- (2- fluorobenzyl)ethanamine
Smiles: CCN(Cc1ccccc1F)CC

STK037769
Synonyms: N- {[4- (acetylsulfamoyl)phenyl]carbamothioyl}- 2- chlorobenzamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)c1ccccc1Cl

STK037810
Synonyms: 2- {[2- (dimethylamino)ethyl]carbamoyl}benzoicacid
Smiles: CN(CCNC(=O)c1ccccc1C(=O)O)C

STK037820
Synonyms: 2- [1- (morpholin- 4- yl)- 3- phenylprop- 2- yn- 1- yl]- 6- nitrophenol
Smiles: [O-][N+](=O)c1cccc(c1O)C(N1CCOCC1)C#Cc1ccccc1

STK037825
Synonyms: 2- {benzyl[3- (9H- carbazol- 9- yl)- 2- hydroxypropyl]amino}cyclohexanol
Smiles: OC(Cn1c2ccccc2c2c1cccc2)CN(C1CCCCC1O)Cc1ccccc1

STK037826
Synonyms: 2- {(E)- [(2Z)- (6- ethoxy- 3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)hydrazinylidene]methyl}- 4- nitrophenol
Smiles: CCOc1ccc2c(c1)s/c(=N\N=C\c1cc(ccc1O)[N+](=O)[O-])/n2C

STK037866
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 9H- fluorene- 2- sulfonamide
Smiles: O=c1n(c2ccccc2)n(c(c1NS(=O)(=O)c1ccc2c(c1)Cc1c2cccc1)C)C

STK037868
Synonyms: 5- (benzyloxy)- 3,8- dimethyl- 1,8- dihydropyrazolo[3,4- b]indole
Smiles: Cc1n[nH]c2c1c1cc(OCc3ccccc3)ccc1n2C

STK037872
Synonyms: 4- bromo- 2- [(E)- (heptylimino)methyl]phenol
Smiles: CCCCCCC/N=C/c1cc(Br)ccc1O

STK037891
Synonyms: N- (1- methyl- 1H- benzimidazol- 2- yl)- 1H- 1,2,4- triazole- 3- carboxamide
Smiles: O=C(c1n[nH]cn1)Nc1nc2c(n1C)cccc2

STK037903
Synonyms: (2E)- 1- (1H- imidazol- 1- yl)- 3- phenylprop- 2- en- 1- one
Smiles: O=C(n1cncc1)/C=C/c1ccccc1

STK037904
Synonyms: (5E)- 3- (4- chlorobenzyl)- 5- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}imidazolidine- 2,4- dione
Smiles: Clc1ccc(cc1)CN1C(=O)N/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C1=O

STK037916
Synonyms: 2,4- di(2,3- dihydro- 1,4- benzodioxin- 2- yl)- 1,3- thiazole
Smiles: c1ccc2c(c1)OC(CO2)c1csc(n1)C1COc2c(O1)cccc2

STK037956
Synonyms: 3- methoxy- N- (1,3- thiazol- 2- ylcarbamothioyl)benzamide
Smiles: COc1cccc(c1)C(=O)NC(=S)Nc1nccs1

STK037990
Synonyms: N,4- dimethylbenzamide- 4- bromo- 2- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccc(cc1)C.N=Cc1cc(Br)ccc1O

STK038011
Synonyms: 2- {[5- (4- methoxyphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- (naphthalen- 1- yl)ethylidene]acetohydrazide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1cccc2c1cccc2)\C

STK038026
Synonyms: N- (4- phenyl- 1,3- thiazol- 2- yl)- 3- propoxybenzamide
Smiles: CCCOc1cccc(c1)C(=O)Nc1scc(n1)c1ccccc1

STK038030
Synonyms: N'- [(E)- (2- bromophenyl)methylidene]- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccccc1Br

STK038047
Synonyms: (2Z,5Z)- 3- benzyl- 5- (5- chloro- 2- methoxybenzylidene)- 2- [(4- methylphenyl)imino]- 1,3- thiazolidin- 4- one
Smiles: COc1ccc(cc1/C=C/1\S/C(=N\c2ccc(cc2)C)/N(C1=O)Cc1ccccc1)Cl

STK038054
Synonyms: N- (2,6- dichlorophenyl)- 4- methylbenzamide
Smiles: O=C(c1ccc(cc1)C)Nc1c(Cl)cccc1Cl

STK038058
Synonyms: 3- chloro- N- [2- (4- methoxyphenyl)- 2H- benzotriazol- 5- yl]- 4- methylbenzamide
Smiles: COc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1ccc(c(c1)Cl)C

STK038067
Synonyms: N- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2- (3,4- diethoxyphenyl)acetamide
Smiles: CCOc1cc(ccc1OCC)CC(=O)NCCC1=CCCCC1

STK038098
Synonyms: methyl2- {[(pyridin- 4- ylmethyl)carbamoyl]carbamoyl}benzoate
Smiles: COC(=O)c1ccccc1C(=O)NC(=O)NCc1ccncc1

STK038126
Synonyms: 5- (3- chloro- 4- methylphenyl)- 3- [4- (propan- 2- yl)phenyl]- 3a,6a- dihydrospiro[furo[3,4- c]pyrrole- 1,2'- indene]- 1',3',4,6(3H,5H)- tetrone
Smiles: CC(c1ccc(cc1)C1OC2(C3C1C(=O)N(C3=O)c1ccc(c(c1)Cl)C)C(=O)c1c(C2=O)cccc1)C

STK038129
Synonyms: N'- [(1E)- 1- (4- aminophenyl)ethylidene]- 3- (2- methoxyphenyl)- 1H- pyrazole- 5- carbohydrazide
Smiles: COc1ccccc1c1n[nH]c(c1)C(=O)N/N=C(/c1ccc(cc1)N)\C

STK038148
Synonyms: (2E)- N- (2- chloro- 6- methylphenyl)- 2- cyano- 3- (3,5- di- tert- butyl- 4- hydroxyphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=O)Nc1c(C)cccc1Cl

STK038179
Synonyms: 2,5- dichloro- N- (2- iodophenyl)benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccccc1I)Cl

STK038186
Synonyms: 2- [(1- methyl- 1H- benzimidazol- 2- yl)sulfanyl]- N- (5- methyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)propanamide
Smiles: O=C(C(Sc1nc2c(n1C)cccc2)C)Nc1c(C)[nH]n(c1=O)c1ccccc1

STK038239
Synonyms: 11- (phenylcarbonyl)- 6a,6b,10,11,11a,12- hexahydro- 8,11- epoxyoxepino[4',5':3,4]pyrrolo[1,2- a]quinolin- 7(8H)- one
Smiles: O=C1C2OCC(O2)(C2C1C1C=Cc3c(N1C2)cccc3)C(=O)c1ccccc1

STK038253
Synonyms: 2- hydroxy- 4- {[4- (4- methylphenyl)- 1,3- thiazol- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)O)C(=O)O

STK038320
Synonyms: N- (4- iodo- 2- methylphenyl)- 2- phenylacetamide
Smiles: O=C(Nc1ccc(cc1C)I)Cc1ccccc1

STK038369
Synonyms: 2- [(E)- oxido(2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- lambda~5~- azanyl]acetamide
Smiles: NC(=O)C/[N+](=C/1\C(=O)Nc2c1cccc2)/[O-]

STK038371
Synonyms: ethyl4- {[3- oxo- 2- (1,2,3,4- tetrahydronaphthalen- 1- yl)- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl]amino}piperidine- 1- carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC1C2=C(C(=O)N1C1CCCc3c1cccc3)CCCC2

STK038384
Synonyms: 2- {[2- (4- methoxyphenyl)- 2- oxoethyl]sulfanyl}- 6- oxo- 4- (trifluoromethyl)- 1,6- dihydropyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)OC)[nH]c(=O)cc1C(F)(F)F

STK038407
Synonyms: N- [(2- chloro- 5- nitrophenyl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1cc(ccc1Cl)[N+](=O)[O-])COc1ccccc1

STK038411
Synonyms: 1- (2- oxopyrrolidin- 1- yl)- 3- (piperidin- 1- yl)propan- 2- yloctanoate
Smiles: CCCCCCCC(=O)OC(CN1CCCC1=O)CN1CCCCC1

STK038414
Synonyms: 4- (ethoxycarbonyl)- 4- {2- [(4- ethoxyphenyl)amino]- 1,3- thiazol- 4- yl}octanoicacid
Smiles: CCCCC(c1csc(n1)Nc1ccc(cc1)OCC)(C(=O)OCC)CCC(=O)O

STK038427
Synonyms: (4Z)- 5- methyl- 4- [2- (3- methylphenyl)hydrazinylidene]- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1cccc(c1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK038428
Synonyms: 4- {[1- (2,4- dimethylphenyl)- 3- methoxy- 3- oxopropyl]amino}- 4- oxobutanoicacid
Smiles: COC(=O)CC(c1ccc(cc1C)C)NC(=O)CCC(=O)O

STK038437
Synonyms: N- cyclohexyl- N- ethyl- 3- [(2- methylpropanoyl)amino]benzamide
Smiles: CCN(C(=O)c1cccc(c1)NC(=O)C(C)C)C1CCCCC1

STK038445
Synonyms: 2- chloro- 6- (4- heptylphenyl)pyridine- 3- carbonitrile
Smiles: CCCCCCCc1ccc(cc1)c1ccc(c(n1)Cl)C#N

STK038447
Synonyms: N- [4- (1H- 1,2,4- triazol- 1- ylsulfonyl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)n1ncnc1

STK038462
Synonyms: 2- ({[5- methyl- 4- (4- methylphenyl)- 1,3- thiazol- 2- yl]amino}methyl)phenol
Smiles: Cc1ccc(cc1)c1nc(sc1C)NCc1ccccc1O

STK038485
Synonyms: 2- methoxy- 1- methyl- 3- (1- methyl- 2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 3- yl)- 1H- benzo[f]indole- 4,9- dione
Smiles: COc1c(C2=CC(=O)N(C2=O)C)c2c(n1C)C(=O)c1c(C2=O)cccc1

STK038490
Synonyms: N,N- diethyl- 4- {(E)- [2- (quinolin- 2- yl)hydrazinylidene]methyl}aniline
Smiles: CCN(c1ccc(cc1)/C=N/Nc1ccc2c(n1)cccc2)CC

STK038501
Synonyms: 4- (3- methoxyphenyl)piperazine- 1- carboxamide
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)N

STK038518
Synonyms: 4- cyanophenyl4- (acetyloxy)benzoate
Smiles: N#Cc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C

STK038532
Synonyms: 2- {[(E)- (3- methoxyphenyl)({2- [(2- methylphenoxy)methyl]- 4- oxoquinazolin- 3(4H)- yl}amino)methylidene]amino}benzoicacid
Smiles: COc1cccc(c1)/C(=N\c1ccccc1C(=O)O)/Nn1c(COc2ccccc2C)nc2c(c1=O)cccc2

STK038581
Synonyms: 4- (morpholin- 4- yl)- 4- oxo- N'- (3- phenylpropanoyl)butanehydrazide
Smiles: O=C(CCC(=O)N1CCOCC1)NNC(=O)CCc1ccccc1

STK038584
Synonyms: 5- bromo- 2- (6- heptyl- 5,6,7,8- tetrahydroquinolin- 2- yl)phenol
Smiles: CCCCCCCC1CCc2c(C1)ccc(n2)c1ccc(cc1O)Br

STK038597
Synonyms: (10Z)- 7- (2,5- dimethoxyphenyl)- 10- {3- methoxy- 4- [(4- nitrobenzyl)oxy]benzylidene}- 5,7- dihydro- 6H- benzo[h][1,3]thiazolo[2,3- b]quinazolin- 9(10H)- one
Smiles: COc1ccc(c(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1ccc(c(c1)OC)OCc1ccc(cc1)[N+](=O)[O-])/s3)c1c(CC2)cccc1)OC

STK038609
Synonyms: 1- (4- chlorophenyl)- 3- [5- (morpholin- 4- ylsulfonyl)- 2- (2- oxopyrrolidin- 1- yl)phenyl]urea
Smiles: O=C(Nc1cc(ccc1N1CCCC1=O)S(=O)(=O)N1CCOCC1)Nc1ccc(cc1)Cl

STK038619
Synonyms: pentafluorophenylhexadecanoate
Smiles: CCCCCCCCCCCCCCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F

STK038621
Synonyms: ethyl2- (3- bromo- 4- methoxyphenyl)- 5- hydroxy- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(O)cc2)c1ccc(c(c1)Br)OC

STK038629
Synonyms: N- [3- cyano- 4- (4- methoxyphenyl)- 4H- benzo[h]chromen- 2- yl]- 2- phenylacetamide
Smiles: COc1ccc(cc1)C1C(=C(NC(=O)Cc2ccccc2)Oc2c1ccc1c2cccc1)C#N

STK038636
Synonyms: 4- (4- hydroxy- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)phenyl2,4- dichlorobenzoate
Smiles: Clc1ccc(c(c1)Cl)C(=O)Oc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK038638
Synonyms: 3- methoxy- N- [3- methoxy- 4- (pentanoylamino)phenyl]benzamide
Smiles: CCCCC(=O)Nc1ccc(cc1OC)NC(=O)c1cccc(c1)OC

STK038656
Synonyms: N- benzyl- 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- (3- nitrophenyl)- 3- oxopropanamide
Smiles: O=C(C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NCc1ccccc1

STK038660
Synonyms: 4- {[(E)- (2- hydroxy- 6,7,8,9- tetrahydrodibenzo[b,d]furan- 1- yl)methylidene]amino}benzoicacid
Smiles: Oc1ccc2c(c1/C=N/c1ccc(cc1)C(=O)O)c1CCCCc1o2

STK038692
Synonyms: N,N- dimethyl- N'- [(1,3,4a- trimethyl- 2,3,4,4a,9,9a- hexahydro- 1H- xanthen- 2- yl)methyl]propane- 1,3- diamine
Smiles: CN(CCCNCC1C(C)CC2(C(C1C)Cc1c(O2)cccc1)C)C

STK038696
Synonyms: 1- (2- ethoxybenzyl)azepane
Smiles: CCOc1ccccc1CN1CCCCCC1

STK038698
Synonyms: ethyl1- (2- hydroxybenzyl)piperidine- 2- carboxylate
Smiles: CCOC(=O)C1CCCCN1Cc1ccccc1O

STK038700
Synonyms: 4- oxo- 4- [(2- phenylimidazo[1,2- a]pyridin- 3- yl)amino]butanoicacid
Smiles: O=C(Nc1c(nc2n1cccc2)c1ccccc1)CCC(=O)O

STK038704
Synonyms: methyl3- amino- 1- (4- bromophenyl)- 1H- benzo[f]chromene- 2- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)Br)c1ccccc1cc2

STK038712
Synonyms: 6,6- dimethyl- 2- pentyl- 5,8- dihydro- 4H,6H- pyrano[4',3':4,5]thieno[2,3- d][1,3]oxazin- 4- one
Smiles: CCCCCc1oc(=O)c2c(n1)sc1c2CC(OC1)(C)C

STK038714
Synonyms: 1,2- dimethyl- 6- nitro- 1H- indol- 5- ol
Smiles: [O-][N+](=O)c1cc2c(cc1O)cc(n2C)C

STK038728
Synonyms: 3- {[(E)- (4- hydroxyphenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1cccc(c1)/N=C/c1ccc(cc1)O

STK038749
Synonyms: N,N- dimethyl- 2- (2- methyl- 9H- imidazo[1,2- a]benzimidazol- 9- yl)ethanamine
Smiles: CN(CCn1c2nc(cn2c2c1cccc2)C)C

STK038758
Synonyms: 4- {(E)- [2- (6- chloropyridin- 2- yl)hydrazinylidene]methyl}- 2- methoxy- 6- nitrophenol
Smiles: COc1cc(/C=N/Nc2cccc(n2)Cl)cc(c1O)[N+](=O)[O-]

STK038766
Synonyms: N- [2- cyano- 1- (3- nitrophenyl)- 1H- benzo[f]chromen- 3- yl]- 2- phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1cccc(c1)[N+](=O)[O-])c1ccccc1cc2

STK038769
Synonyms: methyl3- [(3- chlorophenyl)carbamoyl]- 5- nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)Cl

STK038795
Synonyms: methyl5- cyano- 4- [4- (methoxycarbonyl)phenyl]- 2- methyl- 6- sulfanyl- 1,4- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(S)NC(=C1C(=O)OC)C)C#N

STK038814
Synonyms: N- {[2- (3,4- dichlorophenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1ccccc1)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)Cl

STK038835
Synonyms: 4- oxo- 2- phenylcyclopentanecarboxylicacid
Smiles: O=C1CC(C(C1)c1ccccc1)C(=O)O

STK038838
Synonyms: 3- (4- nitrophenyl)- 1- phenylbenzo[f]quinoline
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2ccc3c(c2c(c1)c1ccccc1)cccc3

STK038844
Synonyms: 5- (1,3- benzodioxol- 5- ylmethyl)- 1,3- dimethyl- 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=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c(c1)OCO2

STK038857
Synonyms: (2E)- 3- (2- chlorophenyl)- N- (2- oxotetrahydrothiophen- 3- yl)prop- 2- enamide
Smiles: O=C(NC1CCSC1=O)/C=C/c1ccccc1Cl

STK038878
Synonyms: 1- {5- [(4- bromophenoxy)methyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)COc1ccc(cc1)Br

STK038901
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK038912
Synonyms: N- cyclopentyl- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NC1CCCC1

STK038920
Synonyms: 4- phenyl- 2- oxabicyclo[2.2.1]heptan- 3- one
Smiles: O=C1OC2CC1(CC2)c1ccccc1

STK038925
Synonyms: 2- (1,3- benzothiazol- 2- ylsulfanyl)- N'- [(E)- {3- chloro- 5- methoxy- 4- [(2- methylbenzyl)oxy]phenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nc3c(s2)cccc3)cc(c1OCc1ccccc1C)Cl

STK038951
Synonyms: 2- [(2E)- 2- {1- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]benzonitrile
Smiles: COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccccc2C#N)/C1=O)c1ccccc1

STK038956
Synonyms: (5E)- 5- {3- [(4- fluorobenzyl)oxy]benzylidene}- 1- methyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Fc1ccc(cc1)COc1cccc(c1)/C=C/1\C(=O)NC(=S)N(C1=O)C

STK038970
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 8- methoxy- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cccc(c2o/c/1=N\c1nccs1)OC

STK038987
Synonyms: 1- phenyl- 1H- pyrazole- 3,5- diol
Smiles: Oc1nn(c(c1)O)c1ccccc1

STK038991
Synonyms: (4Z)- 4- [2- (2,5- dimethoxyphenyl)hydrazinylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: COc1ccc(cc1N/N=C\1/C(=NN(C1=O)C(=S)N)C)OC