SMILES
stringlengths 2
863
| IUPAC
stringlengths 6
1.4k
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|---|---|
CCCN(c1cc(N)nc(C)n1)C(C)C
|
2-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
|
O=C(Nc1cnn(Cc2cn3ccccc3n2)c1)c1ccc(N2CCc3ccccc3C2)cc1
|
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
|
SCCCCCCCCCN1CCOc2ccccc2C1
|
9-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)nonane-1-thiol
|
CC.CC.Cc1c(C2CCOCC2)n(-c2ccc(F)cc2)c2cc3cnn(C(=O)C(C)(C)C)c3cc12
|
ethane;1-[5-(4-fluorophenyl)-7-methyl-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one
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CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CN(C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C.CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CCc1ccccc1.CSCC[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C.Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)cc1
|
(2R,4S,5S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-hydroxy-2,7-dimethyl-5-[[(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]octanamide;(2R,4S,5S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-hydroxy-2,7-dimethyl-5-[[(2S)-2-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]-4-methylsulfonylbutanoyl]amino]octanamide;tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl-methylamino]-2-hydroxy-5-methylhexan-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5S,7R)-5-hydroxy-8-[[(3S,4S)-3-hydroxy-6-methyl-1-phenylheptan-4-yl]amino]-2,7-dimethyl-8-oxooctan-4-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
|
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
|
[2,3,4-triacetyloxy-5-(4-nitroanilino)-5-oxopentyl] acetate
|
O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12
|
(1S,2S,3aR)-7-chloro-2-(4-chlorophenyl)-1-(4-fluorobenzoyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
|
CC(C#N)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
|
(3S)-3-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylbutanenitrile
|
COC1(C(O)c2ccc3c(c2)CCO3)CCCCCC1
|
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycycloheptyl)methanol
|
Cn1cnc(C2=Nc3ccccc3C2)c1
|
2-(1-methylimidazol-4-yl)-3H-indole
|
O=C(N[C@@H](Cc1ccccc1)C(=O)O)OC(Cl)C(Cl)Cl
|
(2S)-3-phenyl-2-(1,2,2-trichloroethoxycarbonylamino)propanoic acid
|
CC(C)(C)OC(=O)N1CCC2(CC1)NC(O)N(c1nc(C(F)(F)F)cs1)C2=O
|
tert-butyl 2-hydroxy-4-oxo-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,8-triazaspiro[4.5]decane-8-carboxylate
|
CNc1cc(OCc2ccccc2F)ccn1
|
4-[(2-fluorophenyl)methoxy]-N-methylpyridin-2-amine
|
N#C[C@H](C1CCCCC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1
|
(2S)-2-cyclohexyl-2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]acetonitrile
|
O=C1CC(NC2C3CCC(C3)C2C(=O)O)C(=O)N1
|
3-[(2,5-dioxopyrrolidin-3-yl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
|
CC(N)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1
|
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
|
CNCCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
|
2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-N-methylethanamine
|
CC1C=C(CC2CCCCC2)CCN1C
|
4-(cyclohexylmethyl)-1,6-dimethyl-3,6-dihydro-2H-pyridine
|
CO[C@@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2CC(CSc3nnc(C)s3)=C(C(=O)O)S[C@H]21
|
(6S,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-7-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylic acid
|
C#CC(O)C[C@H]1C[C@@H](C)CC(OC)O1
|
1-[(2R,4R)-6-methoxy-4-methyloxan-2-yl]but-3-yn-2-ol
|
COc1cc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc(OC)c1Br
|
4-bromo-3,5-dimethoxy-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzamide
|
O=C1NC2(CC2)CNc2c1sc1ccc3nc(Oc4nc(Cl)ncc4CN4CCOCC4=O)cnc3c21
|
4-[[2-chloro-4-(13-oxospiro[11-thia-3,6,14,17-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,12(18)-hexaene-15,1'-cyclopropane]-5-yl)oxypyrimidin-5-yl]methyl]morpholin-3-one
|
COc1ccc(C#CCNS(=O)(=O)N(C)C)cc1
|
1-[3-(dimethylsulfamoylamino)prop-1-ynyl]-4-methoxybenzene
|
Cc1nc([C@@H]2CN(C(=O)c3cc4cc(F)ccc4[nH]3)CCO2)cc(=O)[nH]1
|
4-[(2S)-4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
|
Cc1cc(C)n2c(NC(C)(C)CC(C)(C)C)c(-c3cc4ccccc4o3)nc2c1
|
2-(1-benzofuran-2-yl)-5,7-dimethyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
|
CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCCOC)=CSC2=N1
|
methyl (5R)-7-ethyl-5-(3-fluorophenyl)-3-[2-(3-methoxypropylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
|
COCCCNC(=O)C1CCC(C(=O)N2CCOCC2)CC1
|
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)cyclohexane-1-carboxamide
|
CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(NC(=O)c3csc(C)c3-c3ccccc3)C(=O)[C@H]12
|
N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]-5-methyl-4-phenylthiophene-3-carboxamide
|
CC1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1C
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
Cn1nc(OCC(SF)C(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(-c2ccc(Cl)c(C(=O)NC3CC3)c2)cn1
|
[1-[5-[4-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]pyrazol-1-yl]-1-methyl-4-(trifluoromethyl)pyrazol-3-yl]oxy-3,4,4,4-tetrafluorobutan-2-yl] thiohypofluorite
|
CC(NC1CC(=O)N(C2CCCC2)C1=O)c1ccccc1
|
1-cyclopentyl-3-(1-phenylethylamino)pyrrolidine-2,5-dione
|
CC=CCC1CCC(C2CCC(OC)CC2)CC1
|
1-but-2-enyl-4-(4-methoxycyclohexyl)cyclohexane
|
CCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O
|
(5E)-5-[[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-4-methyl-2,6-dioxo-1-propylpyridine-3-carbonitrile
|
CCCOCc1noc(C2(C)CCCCC2N)n1
|
2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
|
N#Cc1cccc(-c2csc(-c3ccc(F)c(Cl)c3)n2)c1
|
3-[2-(3-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]benzonitrile
|
CCn1c(O)c(C2=c3cc(Br)ccc3=NC2=O)sc1=Nc1cccc(C(=O)O)c1
|
3-[[5-(5-bromo-2-oxoindol-3-yl)-3-ethyl-4-hydroxy-1,3-thiazol-2-ylidene]amino]benzoic acid
|
O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cccc(C(=O)NC2CC2)c1
|
N-cyclopropyl-3-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzamide
|
Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCCCC1CN
|
[2-(aminomethyl)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
|
C=C(C)C(=O)NCCCCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
|
N-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]butyl]-2-methylprop-2-enamide
|
Cc1cc(-c2cc(F)c(F)cc2-c2ccccc2S(N)(=O)=O)ccc1F
|
2-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
|
O=C1[C@@H]2[C@@H]3C[C@@H]4[C@H]5[C@H]([C@@H](O)[C@H]42)[C@H]1[C@@H]35
|
(1S,2R,3R,5R,6S,7R,9R,10R,11S)-11-hydroxypentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
|
CCOC(=O)C(CC1=CCN(Cc2ccccc2)CC1)(Cc1ccc(OC)c(OC)c1)C(=O)OCC
|
diethyl 2-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-[(3,4-dimethoxyphenyl)methyl]propanedioate
|
CC1CC[N+](C)(CCSC2CCCCC2)C1
|
1-(2-cyclohexylsulfanylethyl)-1,3-dimethylpyrrolidin-1-ium
|
Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c2c3c(sc2n1)CC(C)CC3
|
4-(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
|
Clc1c(C2=C3C=CN=C3CC=C2)ccn2c(CC3CC3)nnc12
|
8-chloro-3-(cyclopropylmethyl)-7-(7H-indol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
|
CN1CCC[C@@H]2Cc3c(c4ccccc4n3[C@H](OCCN3CCOCC3)C2)CC1
|
4-[2-[[(9R,11R)-15-methyl-8,15-diazatetracyclo[9.6.2.02,7.08,18]nonadeca-1(18),2,4,6-tetraen-9-yl]oxy]ethyl]morpholine
|
O=C(NCc1ccc(-n2cncn2)cc1)C1CC2CCCCC2N1C(=O)c1ccccc1
|
1-benzoyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
|
CCNS(=O)(=O)c1ccc(N=[N+]=[N-])cc1
|
4-azido-N-ethylbenzenesulfonamide
|
C1Cc2[nH]nc(NC34CC5CC(CC(C5)C3)C4)c2CN1
|
N-(1-adamantyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-amine
|
CNC(Cc1ccoc1)c1cccc(Cl)c1F
|
1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
|
O=C(NCCC(=O)N1CCC(Oc2ccccc2)C1)c1ccccc1F
|
2-fluoro-N-[3-oxo-3-(3-phenoxypyrrolidin-1-yl)propyl]benzamide
|
CC(CN(C)CC1CCCO1)C(O)c1ccc(F)cn1
|
1-(5-fluoropyridin-2-yl)-2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
|
O=C(O)/C(=C\c1ccccc1)NC(=O)c1ccc(C(=O)NCc2cccc(O)c2)cc1Br
|
(E)-2-[[2-bromo-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-phenylprop-2-enoic acid
|
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC(C)N)c1
|
N-(3-aminobutyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
|
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1
|
(2S)-2-[[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethylpropanamide
|
NCCCNc1cnoc1Cc1cccc(O)c1
|
3-[[4-(3-aminopropylamino)-1,2-oxazol-5-yl]methyl]phenol
|
C=CC(=O)N1CCN(c2nccnc2NC)CC1.CC
|
ethane;1-[4-[3-(methylamino)pyrazin-2-yl]piperazin-1-yl]prop-2-en-1-one
|
CCOC(=O)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
|
ethyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
|
O=C(CO)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
|
2-hydroxy-1-[4-(naphthalene-2-carbonyl)piperazin-1-yl]ethanone
|
CC(C)CC[C@@](C)(N[S@@](=O)C(C)(C)C)c1ccc(C(=O)OC(C)C)cc1
|
propan-2-yl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]-5-methylhexan-2-yl]benzoate
|
CCCCCCCC1(C)CC(=O)NC(=O)C1C1CCCC1
|
3-cyclopentyl-4-heptyl-4-methylpiperidine-2,6-dione
|
CCN1CCCC1c1cc2ncc(N)cn2n1
|
2-(1-ethylpyrrolidin-2-yl)pyrazolo[1,5-a]pyrimidin-6-amine
|
COc1cc(C(=O)N=C2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N[C@H]3C)n1
|
4-[[5-chloro-4-[[(1S)-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl]oxy]pyrimidin-2-yl]amino]-2-fluoro-N-[(3R)-3-fluoro-1-methylpiperidin-4-ylidene]-5-methoxybenzamide
|
CCOC(=O)c1sc(NC2(C(F)(F)F)CC2)c(C#N)c1N
|
ethyl 3-amino-4-cyano-5-[[1-(trifluoromethyl)cyclopropyl]amino]thiophene-2-carboxylate
|
C=C(C)C(=O)OCC(OC(=O)C(=C)C)(OC(=O)/C(C)=C/C=C(\C)C(=O)OC)C(CO)(CO)CO
|
1-O-[4-hydroxy-3,3-bis(hydroxymethyl)-1,2-bis(2-methylprop-2-enoyloxy)butan-2-yl] 6-O-methyl (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
|
O=C(Cn1ccccc1=O)NC[C@H](CO)Cc1cccs1
|
N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-2-(2-oxopyridin-1-yl)acetamide
|
CNC(=O)CC[C@](CCN1CCC2(CC1)NC(=O)Cc1ccccc12)(c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccccc1.Cl
|
N-[(3S)-3-(3,4-dichlorophenyl)-6-(methylamino)-6-oxo-1-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)hexan-3-yl]-N-methylbenzamide;hydrochloride
|
C=CCOCC(COP(=O)(O)OCCC)OCC=C
|
2,3-bis(prop-2-enoxy)propyl propyl hydrogen phosphate
|
COc1cc(CNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)ccc1OCC(N)=O
|
(2S,7R)-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2,7-dimethyl-1,4-oxazepane-4-carboxamide
|
O=[P+](O)C(CN1C=CC=CC1)P(=O)(O)O
|
hydroxy-oxo-[1-phosphono-2-(2H-pyridin-1-yl)ethyl]phosphanium
|
c1ccc(-c2nnc3cc(C45CCC(CC4)C5)c(OCc4ccccn4)nn23)cc1
|
7-(1-bicyclo[2.2.1]heptanyl)-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
|
CC(=O)Nc1ccc(S(=O)(=O)NC2CCC2)cc1Cl
|
N-[2-chloro-4-(cyclobutylsulfamoyl)phenyl]acetamide
|
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O
|
(2R)-2-[benzyl-[2-(4-chloro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
|
OC1CCCC1c1cc2cccc(F)c2o1
|
2-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
|
CC1CCNc2ccccc21.CC1CCNc2ncccc21.CC1CCNc2nccnc21.Cc1ccnc2[nH]ccc12.Cc1ccnc2ccccc12.Cc1ccnc2ccoc12.Cc1ccnc2ccsc12.Cc1ccnc2nc[nH]c12.Cc1ccnc2ncccc12.Cc1ccnc2nccnc12.Cc1ccnc2ncnn12.Cc1ccnc2occc12
|
4-methylfuro[2,3-b]pyridine;7-methylfuro[3,2-b]pyridine;7-methyl-1H-imidazo[4,5-b]pyridine;4-methyl-1,8-naphthyridine;8-methylpyrido[2,3-b]pyrazine;4-methyl-1H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine;8-methyl-5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;4-methyl-1,2,3,4-tetrahydroquinoline;7-methylthieno[3,2-b]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
|
CCCc1cc(C(=O)N2CCC(=O)N(Cc3ccccc3)[C@H](CC)C2)ccn1
|
(3R)-4-benzyl-3-ethyl-1-(2-propylpyridine-4-carbonyl)-1,4-diazepan-5-one
|
CCCCc1ccc(NC(=O)c2occc2C)cc1
|
N-(4-butylphenyl)-3-methylfuran-2-carboxamide
|
COc1ccc(CC(C)N2CCCC2)cc1
|
1-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine
|
CC(C)N=C(C#Cc1ccccc1Br)c1ccccc1N(c1ccccc1)C(C)C
|
2-[C-[2-(2-bromophenyl)ethynyl]-N-propan-2-ylcarbonimidoyl]-N-phenyl-N-propan-2-ylaniline
|
CC(O)(C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccco2)CC1)C(F)(F)F
|
1,1,1-trifluoro-2-[1-[4-(furan-2-ylmethyl)-5-(3-methylsulfonylphenyl)-1,2,4-triazol-3-yl]piperidin-4-yl]propan-2-ol
|
CC(C)[C@@H]1NC(=O)C12C[C@@H]1O[C@H]1C2
|
(1S,4'S,5S)-4'-propan-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,3'-azetidine]-2'-one
|
Cc1ccc(C(=O)CC(NCc2ccco2)C(=O)O)cc1
|
2-(furan-2-ylmethylamino)-4-(4-methylphenyl)-4-oxobutanoic acid
|
CCN(CC)C(=O)c1ccc(CNC(=NC)NC2CCC(C)CC2)cc1.I
|
N,N-diethyl-4-[[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
|
CCc1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)cs1
|
(4S)-5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
|
Cc1nc(C(=O)N2CCCC(C)C2)cc(N2CCN(C)CC2)n1
|
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
|
c1ccc2c(c1)OCCC2NC1CCN2CCCC12
|
N-(3,4-dihydro-2H-chromen-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
|
Oc1ccccc1C=Nc1ncnc2nc[nH]c12
|
2-(7H-purin-6-yliminomethyl)phenol
|
COC(=O)Cc1cc(=O)[nH]c(SCc2cc(OC)ccc2OC)n1
|
methyl 2-[2-[(2,5-dimethoxyphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]acetate
|
CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4c[nH]c5ccccc45)CC(=O)N23)cc1
|
(2R,8S)-6-[2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-ylphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
|
CN(CCc1ccccn1)C(=O)CCC1CCCN(C(=O)c2cscn2)C1
|
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
|
NC(=O)C(O)C(O)c1ccc(F)cc1CO
|
3-[4-fluoro-2-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
|
CCC(CCNC)c1ccc(OC)c(OC)c1
|
3-(3,4-dimethoxyphenyl)-N-methylpentan-1-amine
|
CCOC1(c2ccccc2)Oc2ccccc2OC1C
|
3-ethoxy-2-methyl-3-phenyl-2H-1,4-benzodioxine
|
Cc1nn(C)cc1C(=O)C(C)C#N
|
3-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-oxopropanenitrile
|
CCC(=O)C(=O)O.CSCC[C@H](N)C(=O)O
|
(2S)-2-amino-4-methylsulfanylbutanoic acid;2-oxobutanoic acid
|
Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cc(Cl)ccc3Cl)c3ccccc23)cc1
|
N-(2,5-dichlorophenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
|
N#Cc1ccc(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCCC3)n2)c(F)c1
|
3-amino-6-(4-cyano-2-fluorophenyl)-N-(4-piperidin-1-ylpyridin-3-yl)pyridine-2-carboxamide
|
O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)NC(c1ccccc1)c1ccccc1
|
[2-(benzhydrylamino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)/C=C/CC/C=C/CCCCCCC
|
(18Z,21Z,24Z,27Z,30Z,33Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyhexadeca-4,8-dien-2-yl]hexatriaconta-18,21,24,27,30,33-hexaenamide
|
CCCCc1ccc(-c2ccc(C(=O)NCC(=O)NCC(=O)N(C)C3C(=O)NCC(=O)N[C@H](C(=O)O)Cc4ccc(O)c(c4)-c4cc3ccc4O)cc2)cc1
|
(8S)-14-[[2-[[2-[[4-(4-butylphenyl)benzoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
|
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