SMILES
stringlengths 2
859
| IUPAC
stringlengths 6
1.34k
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COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1-c1ccc([C@@H]2O[C@H](CN(C)C[C@@H](O)c3cccc(O)c3)[C@H](C)[C@H](c3ccc(CO)cc3)O2)cc1
|
methyl (2S)-2-[[2-[4-[(2S,4S,5R,6R)-4-[[[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylamino]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]-3-phenylpropanoate
|
CNC(=O)c1ccc(N)cc1Oc1ccc(C(N)=O)cc1
|
4-amino-2-(4-carbamoylphenoxy)-N-methylbenzamide
|
COc1ccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1
|
(3R)-1-(4-methoxyphenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
|
CC(C)c1nc(CNCC(O)C(C)(C)C)cs1
|
3,3-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
|
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
|
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-3-nitrobenzamide
|
CC(=O)C(Cl)c1cccc(CCl)c1Cl
|
1-chloro-1-[2-chloro-3-(chloromethyl)phenyl]propan-2-one
|
O=C=NCCc1ccncc1C(F)(F)F
|
4-(2-isocyanatoethyl)-3-(trifluoromethyl)pyridine
|
Cc1cc(NC2=CC(=O)C[C@H](CC(C)C)C2)no1
|
(5R)-3-[(5-methyl-1,2-oxazol-3-yl)amino]-5-(2-methylpropyl)cyclohex-2-en-1-one
|
COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)[O-])S3)cc1
|
2-[(7S)-3-[(4-methoxyphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetate
|
NCc1ncc(C2CCCNC2)[nH]1
|
(5-piperidin-3-yl-1H-imidazol-2-yl)methanamine
|
COc1ccc(Cl)cc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
|
4-tert-butyl-N'-[2-(5-chloro-2-methoxyphenyl)acetyl]benzohydrazide
|
Cc1cc(=O)c(C(=O)N2CCC(OCCCN)CC2)nn1-c1ccccc1F
|
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
|
Cc1ccoc1C(=O)NC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1
|
N-[1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
|
CN(c1ccc(C#N)cc1)C1CCCC1O
|
4-[(2-hydroxycyclopentyl)-methylamino]benzonitrile
|
CCOC1CCCN(C(=O)c2cc(N)c(C)c(F)c2)C1
|
(3-amino-5-fluoro-4-methylphenyl)-(3-ethoxypiperidin-1-yl)methanone
|
CC(C)(O)C(=O)C(Br)C(Br)c1cccnc1
|
1,2-dibromo-4-hydroxy-4-methyl-1-pyridin-3-ylpentan-3-one
|
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
[2-[(14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoyl]oxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropyl] nonacosanoate
|
CCCC(=O)NCC(=O)c1ccc(OC)c(F)c1
|
N-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]butanamide
|
CC(=O)Nc1cccc(C(C)Nc2cn(C)nc2C)c1
|
N-[3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]acetamide
|
CC1CC(CN)CN1C1CCOC(C)(C)C1
|
[1-(2,2-dimethyloxan-4-yl)-5-methylpyrrolidin-3-yl]methanamine
|
CS(=O)(=O)Cc1ccc(CC(=O)O)cc1
|
2-[4-(methylsulfonylmethyl)phenyl]acetic acid
|
[2H]C([2H])(OC(C)=O)[C@H]1O[C@@]([2H])(Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
|
[(2S,3R,4S,5R,6R)-3,5-diacetyloxy-6-[acetyloxy(dideuterio)methyl]-2-bromo-2-deuteriooxan-4-yl] acetate
|
Cn1cnc([C@@H]2CN(C(=O)NC(C3CCC3)C3CCC3)C[C@H]2N)c1
|
(3S,4R)-3-amino-N-[di(cyclobutyl)methyl]-4-(1-methylimidazol-4-yl)pyrrolidine-1-carboxamide
|
CN(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
|
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(dimethylamino)benzamide
|
O=C1/C(=c2/c(=O)c3ccc(Cl)c4c(Br)ccc2c43)Sc2ccccc21
|
(2Z)-2-(6-bromo-5-chloro-2-oxoacenaphthylen-1-ylidene)-1-benzothiophen-3-one
|
C=C/C=C1/CCC/C1=C/CC.CC.NC(=O)C(F)(F)F
|
ethane;(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclopentane;2,2,2-trifluoroacetamide
|
Cn1cnc(C[C@H](NC(C)(C)C)C(=O)O)c1
|
(2S)-2-(tert-butylamino)-3-(1-methylimidazol-4-yl)propanoic acid
|
Cc1nc2ccccn2c1/C(O)=C1/C(=O)C(=O)N(CCCn2ccnc2)C1c1ccc(F)cc1
|
(4Z)-5-(4-fluorophenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
|
CCn1cc(CN2CCCN(C(=O)c3ccc(OCc4cscn4)cc3)CC2)cn1
|
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
|
CCNC(c1ccoc1)C1COc2ccccc2C1
|
N-[3,4-dihydro-2H-chromen-3-yl(furan-3-yl)methyl]ethanamine
|
CCc1ccc(C(C)CCCC(=O)O)cc1
|
5-(4-ethylphenyl)hexanoic acid
|
COC(C)Cc1nc(C(C)C)cs1
|
2-(2-methoxypropyl)-4-propan-2-yl-1,3-thiazole
|
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCC
|
[(Z)-31-(1,3-dihydroxypentadecan-2-ylamino)-31-oxohentriacont-15-enyl] (13Z,16Z)-docosa-13,16-dienoate
|
Cc1cc(CN2CCN(C(=O)C3CCCCN3S(C)(=O)=O)CC2)no1
|
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
|
CC1=CC(C)(C)Cc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
|
2,2,4-trimethyl-7-trityl-1H-naphthalene
|
Nc1cc(F)cc([C@H](C2CCOCC2)N2CCNCC2)c1O
|
2-amino-4-fluoro-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
|
CC(=O)c1c(S(=O)(=O)N2CCN(C(=O)c3nc4c(s3)CN(C)CC4)C(CC(=O)N3CCOCC3)C2)[nH]c2ccc(Cl)cc12
|
2-[4-[(3-acetyl-5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(O)(C(=O)C(CCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC)C(O)CO
|
(20Z,23Z,26Z)-11-(1,2-dihydroxyethyl)-9-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienyl]-11-hydroxynonacosa-20,23,26-triene-8,10,12-trione
|
C=CC[C@@H]1C=CC[C@@H](C[C@H](OC)[C@@H](C)COCc2ccccc2)O1
|
(2S,6R)-2-[(2S,3S)-2-methoxy-3-methyl-4-phenylmethoxybutyl]-6-prop-2-enyl-3,6-dihydro-2H-pyran
|
COP(=O)(OC)C1(c2ccccc2Cl)CC(=O)C=CO1
|
2-(2-chlorophenyl)-2-dimethoxyphosphoryl-3H-pyran-4-one
|
Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2F)c1
|
2-[3-(2-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
|
COC(=O)c1ccccc1N(C)c1ccc(C(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
|
methyl 2-[4-[[4-(1-adamantyl)phenyl]-methylcarbamoyl]-N-methylanilino]benzoate
|
C=C[C@@H](Nc1ccccc1)C12C=CC(O1)C(C(=O)OC)=C2C(=O)OC
|
dimethyl 1-[(1R)-1-anilinoprop-2-enyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
|
CCOc1ccc(C(=O)NCc2cnn(CC)c2C)cc1
|
4-ethoxy-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
|
CCOC(=O)[C@]1(F)CN(C(=O)[C@H]2CCCOC2)CC12COC2
|
ethyl (5R)-5-fluoro-7-[(3S)-oxane-3-carbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylate
|
CCOc1ccc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3ccc(F)c(F)c3)CC2)c(C)c1
|
2-(3,4-difluorophenoxy)-N-[4-[(4-ethoxy-2-methylbenzoyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
|
CC1(C)CCc2c1nc1c(c2NC(=O)N=S(N)(=O)c2sc(C(C)(O)CO)nc2CO)CCC1
|
1-[amino-[2-(1,2-dihydroxypropan-2-yl)-4-(hydroxymethyl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(4,4-dimethyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)urea
|
Cc1ccc(S(=O)(=O)n2cccc2CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
|
1-(3,4-dichlorophenyl)-4-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]piperazine
|
CCCc1nc(CNC(=O)C2=NNC(=O)CC2)cs1
|
6-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
|
O=CN1CCN(C(=O)c2cc(Nc3cc(Cl)cc(Cl)c3)ncn2)CC1
|
4-[6-(3,5-dichloroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
|
CCN(C)C(=O)C(C)NC1c2cc(Cl)ccc2CC1(C)C
|
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-ethyl-N-methylpropanamide
|
CC[C@H]1CCCCN1C(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4
|
[(2S)-2-ethylpiperidin-1-yl]-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)methanone
|
NC1CCN(C(=O)c2ccc3ccccc3c2)CC1
|
(4-aminopiperidin-1-yl)-naphthalen-2-ylmethanone
|
COc1ccc(OC)c(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)c1
|
4-(2,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
|
CCCCOc1cncc([C@H]2C[C@@H]2COc2cccnc2)c1
|
3-butoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
|
Cc1nnc(CC2CCCNC2)s1
|
2-methyl-5-(piperidin-3-ylmethyl)-1,3,4-thiadiazole
|
c1ccc(-n2c3ccc(-n4c5ccccc5c5c6ncccc6n(-c6ccccc6)c54)nc3c3c4ccccc4n(-c4cccc(-n5c6ncccc6n6c7ccccc7nc56)c4)c32)cc1.c1ccc(-n2c3ccccc3c3c4cc(-n5c6ccccc6c6c7cccnc7n(-c7ccccc7)c65)cnc4n(-c4cccc(-n5c6ccccc6n6c7cccnc7nc56)c4)c32)cc1.c1ccc(-n2c3ccncc3c3c4ncccc4n(-c4cccc(-n5c6cccnc6n6c7ncccc7nc56)c4)c32)cc1.c1ccc(-n2c3ncccc3c3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4cccc(-n5c6ccccc6n6c7cccnc7nc56)c4)c32)cc1
|
10-[3-(14-carbazol-9-yl-8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-10-yl)phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene;8-[3-[8-phenyl-4-(8-phenyl-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-3,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene;10-[3-[10-phenyl-4-(8-phenyl-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-10-yl)-6,8,10-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene;10-[3-(10-phenyl-3,8,10,14-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-8-yl)phenyl]-1,3,8,10,15-pentazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11(16),12,14-heptaene
|
Cc1cc2c(cc1C)N(c1cc(F)nc(F)c1)C(=C1N(c3cc(F)nc(F)c3)c3cc(C)c(C)cc3N1c1cc(F)nc(F)c1)N2c1cc(F)nc(F)c1
|
2-[1,3-bis(2,6-difluoropyridin-4-yl)-5,6-dimethylbenzimidazol-2-ylidene]-1,3-bis(2,6-difluoropyridin-4-yl)-5,6-dimethylbenzimidazole
|
CCC[C@H]1[C@H]([N+]2([O-])CCCCC2)CS1(=O)=O
|
(2S,3R)-3-(1-oxidopiperidin-1-ium-1-yl)-2-propylthietane 1,1-dioxide
|
O=C(NC1CCCNC1=O)c1cccnc1Br
|
2-bromo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
|
CSCCn1c(=NC(C)=O)sc2cc3c(cc21)OCO3
|
N-[7-(2-methylsulfanylethyl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene]acetamide
|
F.F.FF
|
molecular fluorine;dihydrofluoride
|
O=C(O)CC(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1
|
3-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]propanoic acid
|
Cc1c(OCCN(CCCF)C(=O)OC(C)(C)C)ncc(F)c1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(C)C(=O)O
|
3-[(1R,3R)-1-[5-fluoro-2-[2-[3-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-methylpyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropanoic acid
|
Cc1cnn(CCNc2ccc(C(=O)O)c([N+](=O)[O-])c2)c1
|
4-[2-(4-methylpyrazol-1-yl)ethylamino]-2-nitrobenzoic acid
|
OC(CNCCCn1cccn1)c1cccc(F)c1
|
1-(3-fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)ethanol
|
C[C@@H](NC(=O)Cn1ccccc1=O)C1=CCCCC1
|
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-2-(2-oxopyridin-1-yl)acetamide
|
C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1
|
5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
|
COc1ccccc1N1CCN(C2CCN(c3csc4ccccc34)CC2)CC1
|
1-[1-(1-benzothiophen-3-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
|
CCNc1cccc(C(=O)NCc2ccc(CC)s2)n1
|
6-(ethylamino)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
|
CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Sc3ccccc3S5)cc2)O1.CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Cc3ccc5c(c3-4)Oc3ccccc3S5)cc2)S1.CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4[SiH2]c4c(ccc6c4-c4ccccc4C6(C)C)[Si]5(C)C)cc3)cc2)S1
|
N-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-8,8-dimethyl-N-(4-phenylphenyl)indeno[1,2-a]thianthren-10-amine;N-[4-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)phenyl]-N-(4-phenylphenyl)-8H-indeno[2,1-c]phenoxathiin-10-amine;4-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-N-phenyl-N-[4-(5,5,8,8-tetramethyl-13H-indeno[1,2-a]silanthren-1-yl)phenyl]aniline
|
CC(C)/C=C/N1CCC[C@H]1C
|
(2R)-2-methyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
|
OCC1O[C@H](Sc2ccc(Cl)c(Cl)c2)C(O)C(n2cc(-c3nc(F)cs3)nn2)[C@H]1O
|
(2R,5R)-2-(3,4-dichlorophenyl)sulfanyl-4-[4-(4-fluoro-1,3-thiazol-2-yl)triazol-1-yl]-6-(hydroxymethyl)oxane-3,5-diol
|
CC(C)N(CCNC(=NCC(=O)N(C)C)NC1CC2CCC1C2)C(C)C.I
|
2-[[(2-bicyclo[2.2.1]heptanylamino)-[2-[di(propan-2-yl)amino]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
|
FOc1nccc2cc(OCC(F)(F)F)ccc12
|
[6-(2,2,2-trifluoroethoxy)isoquinolin-1-yl] hypofluorite
|
CCC(C)S(=O)(=O)c1nnc(C(=O)NCCOC)s1
|
5-butan-2-ylsulfonyl-N-(2-methoxyethyl)-1,3,4-thiadiazole-2-carboxamide
|
Cc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccc(C(=N)[O-])cc2)cc1
|
4-[3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]propanoyl]benzenecarboximidate
|
Cc1cc(NC(=O)c2cc(N)c(C)s2)on1
|
4-amino-5-methyl-N-(3-methyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
|
COCCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccncc1
|
N-[(4-fluorophenyl)methyl]-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
|
Cc1ccc(S(=O)(=O)N2CCNC(C(C)C)C2)cc1
|
1-(4-methylphenyl)sulfonyl-3-propan-2-ylpiperazine
|
ClCC1(c2ccccc2)CCOCC1
|
4-(chloromethyl)-4-phenyloxane
|
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)C2C(=O)C3=C(O)c4c(O)ccc(Br)c4CC3CC21
|
(4S)-7-bromo-4-(dimethylamino)-3,10,11-trihydroxy-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide
|
CC1CCC(N2CC(N)Cc3ccccc32)CC1C
|
1-(3,4-dimethylcyclohexyl)-3,4-dihydro-2H-quinolin-3-amine
|
N#CC(NC(=O)C1CCc2ccccc2C1)C1CC1
|
N-[cyano(cyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
|
Cc1ccc2c(N)c(C(=O)N(C)CC3CCC3)sc2c1
|
3-amino-N-(cyclobutylmethyl)-N,6-dimethyl-1-benzothiophene-2-carboxamide
|
Cc1ccc(C(C)N(C)C(=O)c2cc(C)oc2C)cc1
|
N,2,5-trimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
|
COc1ccc(C(=O)NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)cc1C(F)(F)F
|
4-methoxy-N-[2-oxo-2-[[1-(4-phenylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
|
O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
|
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
|
CC(NC(=O)N1CCC(CO)C1)c1nc(-c2cccc(F)c2)no1
|
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
|
CCOc1ccccc1COC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2
|
(2-ethoxyphenyl)methyl (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate
|
N#CNC1CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1
|
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(cyanoamino)cyclobutane-1-carboxamide
|
Nc1cnc(Nc2cc(F)cc(Cl)c2)cn1
|
2-N-(3-chloro-5-fluorophenyl)pyrazine-2,5-diamine
|
O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)Nc1ccc(F)cc1
|
N-benzyl-2,4-difluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]benzamide
|
CCOC(=O)CCC1CCN(C(=O)c2ccccc2)CC1CCI
|
ethyl 3-[1-benzoyl-3-(2-iodoethyl)piperidin-4-yl]propanoate
|
CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2CC[C@@]3(C)C(=CC(=O)[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@H](O)[C@@H]1O
|
[(2R,3S,4R,5R,6S)-6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl tetradecanoate
|
CC1(C)Oc2cc3c(c(C(O)(c4c5c(cc6c4OC(C)(C)O6)OC(C)(C)O5)c4c5c(cc6c4OC(C)(C)O6)OC(C)(C)O5)c2O1)OC(C)(C)O3
|
tris(2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-8-yl)methanol
|
CCOC(=O)C(C)c1ccc(F)cn1
|
ethyl 2-(5-fluoropyridin-2-yl)propanoate
|
CCCN(Cc1cc(CNC(C)C)co1)C1CC1
|
N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
|
CSc1ccc(C(=O)c2ccc(O)cc2)cc1
|
(4-hydroxyphenyl)-(4-methylsulfanylphenyl)methanone
|
CC1CCCCN1Cc1ccccc1CNC(=O)c1nccnc1N
|
3-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
|
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