SMILES
stringlengths 2
959
| IUPAC
stringlengths 6
1.64k
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C[C@@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
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2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
|
O=C(CS(=O)CC1CCCO1)c1ccc(Br)s1
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1-(5-bromothiophen-2-yl)-2-(oxolan-2-ylmethylsulfinyl)ethanone
|
CCCCN(CCN1CCCC1)c1cc(CO)cc(S(N)(=O)=O)c1Oc1ccccc1
|
3-[butyl(2-pyrrolidin-1-ylethyl)amino]-5-(hydroxymethyl)-2-phenoxybenzenesulfonamide
|
CCN(CC[n+]1ccc(C)cc1)c1cccc(NC(C)=O)c1.[Cl-]
|
N-[3-[ethyl-[2-(4-methylpyridin-1-ium-1-yl)ethyl]amino]phenyl]acetamide;chloride
|
O=Cc1cnc2ccccc2c1-c1cccc2ccccc12
|
4-naphthalen-1-ylquinoline-3-carbaldehyde
|
C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N)N.O=C1C=CC(=O)N1CN1C(=O)C=CC1=O
|
1-[(2,5-dioxopyrrol-1-yl)methyl]pyrrole-2,5-dione;hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaene-1,1-diamine
|
COC(=O)C(C)(O)C(=O)[C@H](C)N(C)C(=O)N(C)C(=O)N(C)C
|
methyl (4S)-4-[[dimethylcarbamoyl(methyl)carbamoyl]-methylamino]-2-hydroxy-2-methyl-3-oxopentanoate
|
Cc1nc(-c2cccnc2)ncc1C(=O)NCc1cccc2ncnn12
|
4-methyl-2-pyridin-3-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
|
Nc1n[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3F)cc12
|
N-(3-amino-1H-indazol-5-yl)-2-fluoro-5-(trifluoromethyl)benzamide
|
CCOC(=O)c1sc2nc(C)nc(NCc3ccc(NC(=O)C(C)C)cc3)c2c1C
|
ethyl 2,5-dimethyl-4-[[4-(2-methylpropanoylamino)phenyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
|
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC(=O)c2ccccc2)cc1
|
N-[(E)-3-[4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylanilino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
|
CCCCCC(O)S.CCCCCC(O)S
|
1-sulfanylhexan-1-ol
|
C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(CN2CCCC2=O)cc1
|
(2R)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
|
CS(=O)(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12
|
(10bS)-1'-methylsulfonyl-2-naphthalen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
|
S=c1[nH]c2c(Cl)cccc2n1CCn1ccnc1
|
7-chloro-3-(2-imidazol-1-ylethyl)-1H-benzimidazole-2-thione
|
C=CCC(=O)C1(OC)CCC1
|
1-(1-methoxycyclobutyl)but-3-en-1-one
|
O=C(Nc1ccc(CCCc2ccc(O)c(O)c2)cc1)C1CS(=O)(=O)c2ccccc2C1=O
|
N-[4-[3-(3,4-dihydroxyphenyl)propyl]phenyl]-1,1,4-trioxo-2,3-dihydrothiochromene-3-carboxamide
|
Cn1c(=O)c(=O)[nH]c2c1nc(NCCO)n2CC(O)COc1ccccc1
|
2-(2-hydroxyethylamino)-1-(2-hydroxy-3-phenoxypropyl)-4-methyl-7H-imidazo[4,5-b]pyrazine-5,6-dione
|
Cc1cc(-n2c3ccccc3c3c(-c4ccc(C(C)(C)C)cc4)cc(Oc4cc(N5CN(c6c(-c7ccccc7)cccc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
|
2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(4-tert-butylphenyl)-9-(4-methyl-5-phenylpyridin-2-yl)carbazole
|
CCC(c1nc(CCl)cs1)n1cc(I)cn1
|
4-(chloromethyl)-2-[1-(4-iodopyrazol-1-yl)propyl]-1,3-thiazole
|
O=C(Nc1nc2ccccc2[nH]1)C1CSc2ccccc21
|
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
|
NC(C(=O)O)C(O)c1ccc(F)cc1F
|
2-amino-3-(2,4-difluorophenyl)-3-hydroxypropanoic acid
|
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1
|
methyl 3-[3-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4-methylbenzoate
|
CC[S@@](=O)c1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc(C)ccc1C
|
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(R)-ethylsulfinyl]benzoate
|
O=C(CSc1nnc(N2CCOCC2)n1CC1CCCO1)N1CCN(c2ncccn2)CC1
|
2-[[5-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
|
CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3F)CC2)cc1
|
1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
|
C=CCCNCc1cc(Br)c(C)s1
|
N-[(4-bromo-5-methylthiophen-2-yl)methyl]but-3-en-1-amine
|
C1CCC2(CC1)CNCCN2.Cl.Cl
|
1,4-diazaspiro[5.5]undecane;dihydrochloride
|
CCCc1ccc(C)c(S(=O)(=O)O)c1
|
2-methyl-5-propylbenzenesulfonic acid
|
C[C@H](NCCC(=O)OC(C)(C)C)c1ccc(Cl)cc1
|
tert-butyl 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoate
|
COc1ccccc1C1c2sc(=O)n(CC(=O)Nc3cccc(C(F)(F)F)c3)c2SC2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C21
|
2-[8-(2-methoxyphenyl)-11-(4-nitrophenyl)-5,10,12-trioxo-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
|
COc1ccc2nc(N(N=Cc3ccc([N+](=O)[O-])o3)C(=O)c3cccc([N+](=O)[O-])c3)sc2c1
|
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-nitro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
|
CNC(Cc1c(Cl)cccc1Cl)c1cc(Br)ccc1F
|
1-(5-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
|
Cl.Cl.N#Cc1ccc(Br)c([C@@H](C(F)F)N2CCNCC2)c1O
|
4-bromo-3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-hydroxybenzonitrile;dihydrochloride
|
CC1(C)CC2CC(=O)C1(C)C2
|
1,6,6-trimethylbicyclo[2.2.1]heptan-2-one
|
c1ccc(Nc2ncnc3cn[nH]c23)cc1
|
N-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
|
COc1nn(C)c2nc(C)c(CCC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)c(C)c12
|
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
|
NC1NC2COC1C2
|
2-oxa-5-azabicyclo[2.2.1]heptan-6-amine
|
CCOC(=O)[C@@H]1C(c2c(Cl)cccc2Cl)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F
|
diethyl (2R,3S,5R,6S)-4-(2,6-dichlorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
|
O=S(=O)(NCc1ccnc(-c2cccs2)c1)c1ccc(F)cc1F
|
2,4-difluoro-N-[(2-thiophen-2-ylpyridin-4-yl)methyl]benzenesulfonamide
|
O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1cc(Br)cc(Br)c1O
|
3,5-dibromo-N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-hydroxybenzamide
|
FC(F)(F)c1cccc(N2CCOCC2)c1C#Cc1ccccc1
|
4-[2-(2-phenylethynyl)-3-(trifluoromethyl)phenyl]morpholine
|
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O
|
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
|
CNCc1ccc(Br)c(Cl)n1
|
1-(5-bromo-6-chloropyridin-2-yl)-N-methylmethanamine
|
COc1cc(N(Cc2cn(C)c3ccccc23)C(=O)Cn2cc([N+](=O)[O-])cn2)cc(OC)c1OC
|
N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
|
C=C(OC(C)(C)C)N1CCCC(N/N=C\C)C1
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N-[(Z)-ethylideneamino]-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-3-amine
|
O=C1CC2(C1)CN(c1cccc(CO)n1)C2
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2-[6-(hydroxymethyl)pyridin-2-yl]-2-azaspiro[3.3]heptan-6-one
|
CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)O)CC4)n3)ccc21.CN(CCO)C(=O)C1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.CN(CCO)CC1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.CNCCO
|
N-(2-hydroxyethyl)-N-methyl-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;2-(methylamino)ethanol;2-[methyl-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]amino]ethanol;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
|
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/[C@H]2C(=O)N(CC(=O)O)c3ccccc32)SC1=S
|
(2S)-2-[(5Z)-5-[[(3R)-1-(carboxymethyl)-2-oxo-3H-indol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylsulfanylbutanoic acid
|
O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1
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N-(4-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
|
CC(C)(C)c1ccc(N(c2ccc(C3CCCCC3)cc2)c2ccc3c(c2)sc2cc4cc5c(cc4cc23)c2cccc3c4ccc(N(c6ccc(C7CCCCC7)cc6)c6ccc(C(C)(C)C)cc6)cc4n5c32)cc1
|
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-cyclohexylphenyl)-13-thia-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
|
Cc1cc(NCC2(C)CCOCC2)nc(C(C)C)n1
|
6-methyl-N-[(4-methyloxan-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
|
COCCOCCOCCC(CBr)Cc1ccc(Cl)cc1
|
1-[2-(bromomethyl)-4-[2-(2-methoxyethoxy)ethoxy]butyl]-4-chlorobenzene
|
O=C(c1ccn(COc2cccc(Cl)c2)n1)N1CCN(Cc2c(Cl)cccc2Cl)CC1
|
[1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C=C/C=C\CCCCCCC
|
[2-[(9Z,11Z,13Z)-henicosa-9,11,13-trienoyl]oxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
|
O=C1CC(=O)N(c2c(Cl)cc(F)cc2C(=O)O)C1
|
3-chloro-2-(2,4-dioxopyrrolidin-1-yl)-5-fluorobenzoic acid
|
CN(C)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)cc1
|
N-[4-(dimethylamino)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
|
Cc1ccc(Nc2nc3ccccc3sc(=N)c2=NNc2ccc([N+](=O)[O-])cc2Cl)cc1
|
3-[(2-chloro-4-nitrophenyl)hydrazinylidene]-2-imino-N-(4-methylphenyl)-1,5-benzothiazepin-4-amine
|
CCN(Cc1ccc(Cl)s1)S(=O)(=O)C1CCCC1C(=O)O
|
2-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]cyclopentane-1-carboxylic acid
|
COc1ccc(Cl)c(C(C)=O)c1C=O
|
2-acetyl-3-chloro-6-methoxybenzaldehyde
|
[CH2-]CCN(CC)[Si](C)(C)C(C)(C)C.[Li+]
|
lithium;N-[tert-butyl(dimethyl)silyl]-N-ethylpropan-1-amine
|
CCNC1(C(C)C(N)=O)CCc2ccccc2N(Cc2cccc3c(-c4nn[nH]n4)cccc23)C1=O
|
2-[3-(ethylamino)-2-oxo-1-[[5-(2H-tetrazol-5-yl)naphthalen-1-yl]methyl]-4,5-dihydro-1-benzazepin-3-yl]propanamide
|
Cc1nc(Cl)c2c(ncn2CC(C)C)n1
|
6-chloro-2-methyl-7-(2-methylpropyl)purine
|
Cc1cccc([C@@H]2CC[C@H](C(C)(C)C#N)N2C(=O)[C@@H](C)NC(=O)c2ccc(Oc3cc(C)n[nH]c3=O)c(C)c2)c1
|
N-[(2R)-1-[(2R,5S)-2-(2-cyanopropan-2-yl)-5-(3-methylphenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)oxy]benzamide
|
CCN(CCO)C(=O)c1cc(Cl)nnc1Cl
|
3,6-dichloro-N-ethyl-N-(2-hydroxyethyl)pyridazine-4-carboxamide
|
Oc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCN(C3CC(CC(F)F)C3)C2)c2cnccc12
|
2-[4-[[(3R)-1-[3-(2,2-difluoroethyl)cyclobutyl]piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
|
CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCO[C@@H](CO)C5)cc4s3)C2)nc1
|
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone
|
CN(C)C(=O)c1ccccc1NCc1ccc(C#N)cc1C(=O)O
|
5-cyano-2-[[2-(dimethylcarbamoyl)anilino]methyl]benzoic acid
|
CC(N)c1cccn1Cc1cccc(C#N)c1
|
3-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]benzonitrile
|
Cn1nc2c(C(=O)NCc3ccnc(C(F)(F)F)c3)ncnc2c1NCc1ccc(-c2nn[nH]n2)cc1
|
2-methyl-3-[[4-(2H-tetrazol-5-yl)phenyl]methylamino]-N-[[2-(trifluoromethyl)pyridin-4-yl]methyl]pyrazolo[4,3-d]pyrimidine-7-carboxamide
|
NC1C2CCCC1CC(C(=O)Nc1ccc3c(c1)CCCC(=O)N3)C2
|
9-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)bicyclo[3.3.1]nonane-3-carboxamide
|
CCOC(CC)(CC)c1noc(-c2c(C)cccc2N)n1
|
2-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
|
COc1ccc(C)cc1[C@@H](C)NC(=O)C[C@H]1C=CCC1
|
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
|
Cc1ccccc1NC(=S)NCc1nc2ccccc2s1
|
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methylphenyl)thiourea
|
CCCCCCCCCCC[C@@H](O)C[C@@H](OCc1ccccc1)[C@H](CCCCCC)C(=O)OCc1ccccc1
|
benzyl (2S,3R,5R)-2-hexyl-5-hydroxy-3-phenylmethoxyhexadecanoate
|
C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1Cl
|
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
|
C=[O+]/C(OC)=C(\C)[O-]
|
(E)-1-methoxy-1-methylideneoxonioprop-1-en-2-olate
|
O=S(=O)(c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)cc1)C(F)F
|
(2R)-2-cyclopentyl-1-[4-(difluoromethylsulfonyl)phenyl]sulfonylpyrrolidine
|
[2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.[2H]C([2H])([2H])c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(-c4ccccc4)c3)cccc21.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(-c5ccccc5)cc4C([2H])([2H])[2H])cc(-c4ccccc4)c3)c2)cc1.[Pt].[Pt].[Pt].[Pt]
|
2,4-ditert-butyl-6-[4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]pyridin-2-yl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-[4-(4-methylphenyl)pyridin-2-yl]-5-phenylbenzene-2-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-phenyl-5-(4-phenylpyridin-2-yl)benzene-6-id-1-yl]-1-[4-phenyl-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-[4-phenyl-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]pyridin-2-yl]benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
|
CC1CCC(Cc2nnc(Cc3cc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)CC1
|
(3R,4R,5S,6R)-2-[4-chloro-3-[[5-[(4-methylcyclohexyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
|
CNS(=O)(=O)c1ccc(N)c(NCCO)c1
|
4-amino-3-(2-hydroxyethylamino)-N-methylbenzenesulfonamide
|
CC(C)CC1CCNC1N
|
3-(2-methylpropyl)pyrrolidin-2-amine
|
CC(C)(C)C#CSc1ccccc1
|
3,3-dimethylbut-1-ynylsulfanylbenzene
|
CN(C)C(=O)NCCNc1cccc(NN)c1[N+](=O)[O-]
|
3-[2-(3-hydrazinyl-2-nitroanilino)ethyl]-1,1-dimethylurea
|
CC(Nc1ccn2ncc(-c3ccn(C)c3)c2n1)c1ccccc1OCC(F)F
|
N-[1-[2-(2,2-difluoroethoxy)phenyl]ethyl]-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
|
Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1
|
4-[[3,5-dichloro-2-[2-(3-methylphenoxy)ethoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
|
CCCc1cn(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)/c(=N\Br)n1CCO
|
2-[(2E)-2-bromoimino-3-(2-hydroxyethyl)-4-propylimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
|
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC1CCCCN1Cc1ccccc1
|
N-[(1-benzylpiperidin-2-yl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide
|
CC#CCN1CC(CF)OC2(CCN(C(=O)c3ccc(OC(C)C)c(C)c3)CC2)C1
|
[4-but-2-ynyl-2-(fluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
|
c1cncc(-c2nc3c(c(N[C@H]4CCc5ccccc54)n2)CCNCC3)c1
|
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
|
Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1
|
[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
|
COc1cc2c(cc1OC)C(OC(=O)CC(C)(C)CC(=O)O)=C(CC1CCN(Cc3ccccc3)CC1)C2
|
5-[[2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-3H-inden-1-yl]oxy]-3,3-dimethyl-5-oxopentanoic acid
|
CCCCCCCCCC(O)C(CCCCCCC(=O)O)OCc1ccccc1
|
9-hydroxy-8-phenylmethoxyoctadecanoic acid
|
CCC(O)CCCC1CCC2C3CCC4C[C@@](C)(O)CCC4(C)C3CCC12C
|
(3S)-17-(4-hydroxyhexyl)-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
|
CCc1nnc2n1Cc1c(C#N)ncn1-c1ccc(F)cc1-2
|
9-ethyl-15-fluoro-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene-5-carbonitrile
|
CC1(C)c2cc(N(c3ccccc3)c3cccc4c3sc3c(-c5ccccc5)cccc34)ccc2-c2c(-c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3c3cccc1c23
|
16-N-dibenzothiophen-4-yl-8,8-dimethyl-5-N,16-N,20-triphenyl-5-N-(6-phenyldibenzothiophen-4-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
|
CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCCOC)C(C)(C)C
|
N-[4-(3-chloro-2,4-difluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]-1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxamide
|
Cc1cc(N(C)CC2CCCC2)c(C(=O)O)c(C)n1
|
4-[cyclopentylmethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
|
Cc1cccc(CCNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1
|
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
|
Cc1ccc(C(N)=O)c(-c2c(C)ncc(C(F)(F)F)c2N)c1
|
2-[4-amino-2-methyl-5-(trifluoromethyl)pyridin-3-yl]-4-methylbenzamide
|
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