SMILES
stringlengths 2
756
| IUPAC
stringlengths 6
1.26k
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Cc1onc(-c2ccccc2)c1C(=O)NCCCCc1ccccc1
|
5-methyl-3-phenyl-N-(4-phenylbutyl)-1,2-oxazole-4-carboxamide
|
COc1cc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc(OC)c1OC
|
(7S)-3-(4-methylphenyl)sulfonyl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
|
Cc1ccccc1CN(C)CC(=O)N1CCc2ccccc2C1
|
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
|
c1ccc(N(c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C8(CCCCC8)c8ccccc8-9)cc7)cc6)c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)cc5)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)cc2)c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccccc8)c8ccc9c(c8)C8(CCCCC8)c8ccccc8-9)cc7)cc6)c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)cc5)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)cc4)cc3)c3ccc4c(c3)C3(CCCCC3)c3ccccc3-4)c3ccccc23)cc1
|
1-N,1-N-diphenyl-4-N-[4-[4-[[4-(N-phenylanilino)naphthalen-1-yl]-spiro[cyclohexane-1,9'-fluorene]-2'-ylamino]phenyl]phenyl]-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalene-1,4-diamine;N-phenyl-N-[4-[4-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine;N-phenyl-N-[4-[4-[N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-4-[4-[N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-4-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
|
CC(C)(C)c1ccc(S(=O)CC(=O)c2ccccc2)cc1
|
2-(4-tert-butylphenyl)sulfinyl-1-phenylethanone
|
N#Cc1ccc(S(=O)(=O)Nc2cccc(F)n2)s1
|
5-cyano-N-(6-fluoropyridin-2-yl)thiophene-2-sulfonamide
|
CCOC(=O)/C=C/C=C/C(C)(C)c1cccc(O[Si](C)(C)C(C)(C)C)c1
|
ethyl (2E,4E)-6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-methylhepta-2,4-dienoate
|
COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1Cl
|
N-(3-chloro-4-methoxyphenyl)-3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonylpropanamide
|
O=C(CCC1CCNCC1)N1CCCSCC1
|
3-piperidin-4-yl-1-(1,4-thiazepan-4-yl)propan-1-one
|
C=C(/C=C\C(=C/CC)C(=O)O)N1CC2(CCNCC2)CC1=O.CCOc1cc(C)cc(OCC)c1-c1ccc(F)cc1F
|
2-(2,4-difluorophenyl)-1,3-diethoxy-5-methylbenzene;(2E,3Z)-5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-propylidenehexa-3,5-dienoic acid
|
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)CC2.CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)CC2.[Ca+2]
|
calcium;2,4,8,10-tetratert-butyl-6-oxido-12,13-dihydrobenzo[d][1,3,2]benzodioxaphosphonine 6-oxide
|
Cc1ccccc1CNC(=O)CN1C[C@@H](C(F)(F)F)[C@H](C(=O)O)C1
|
(3S,4S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
|
CC.CC(=O)/C(C)=N/N=C(\C)c1ccc(F)cc1F.CC1(CC(=O)NC(C)(C)c2cccc(Cl)c2)CN(CC2CC2)C1
|
N-[2-(3-chlorophenyl)propan-2-yl]-2-[1-(cyclopropylmethyl)-3-methylazetidin-3-yl]acetamide;(3E)-3-[(E)-1-(2,4-difluorophenyl)ethylidenehydrazinylidene]butan-2-one;ethane
|
CCOP(=O)([O-])OC[N+](C)(C)C.CC[N+](C)(C)CS(=O)(=O)[O-].COCCOc1ccc(C)cc1.Cc1ccc(CC(=O)O)cc1.Cc1ccc(CC(=O)OCC(F)(F)F)cc1.Cc1ccc(CC2CO2)cc1.Cc1ccc(CCl)cc1.Cc1ccc(CN)cc1.Cc1ccc(OCCO)cc1.Cc1ccccc1
|
1-(chloromethyl)-4-methylbenzene;[ethyl(dimethyl)azaniumyl]methanesulfonate;ethyl (trimethylazaniumyl)methyl phosphate;1-(2-methoxyethoxy)-4-methylbenzene;2-(4-methylphenoxy)ethanol;2-(4-methylphenyl)acetic acid;(4-methylphenyl)methanamine;2-[(4-methylphenyl)methyl]oxirane;toluene;2,2,2-trifluoroethyl 2-(4-methylphenyl)acetate
|
CN1CCCc2c(nc(-n3ncc4c(C(N)=O)cc(F)cc43)nc2NCc2cccc(F)c2)C1
|
6-fluoro-1-[4-[(3-fluorophenyl)methylamino]-8-methyl-5,6,7,9-tetrahydropyrimido[4,5-c]azepin-2-yl]indazole-4-carboxamide
|
Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccc5c(c4)OCO5)CC3=O)cc2)cc1C
|
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
|
CC(C)(C)OC(=O)N(CC(=O)N1CCC(CNc2ccncc2)CC1)c1ccccc1Cl
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tert-butyl N-(2-chlorophenyl)-N-[2-oxo-2-[4-[(pyridin-4-ylamino)methyl]piperidin-1-yl]ethyl]carbamate
|
CCNc1nc(-c2ccc(F)cc2)c(C2C=CC=C(S(C)(=O)=O)C=C2)s1
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N-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylcyclohepta-2,4,6-trien-1-yl)-1,3-thiazol-2-amine
|
CC(=O)c1ccc(N2CCN(C(=O)CSc3ccc(Br)cc3)CC2)cc1
|
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-bromophenyl)sulfanylethanone
|
C=CCn1c(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nnc1-c1ccc(C(C)(C)C)cc1
|
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
|
CO[C@H]1O[C@@H]2COC(c3ccccc3)O[C@H]2[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1N
|
N-[(4aR,6S,7R,8R,8aS)-7-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]-4-methylbenzenesulfonamide
|
CC(C)(C)OC(=O)N1CCCC(C(=O)NCc2cccc(F)c2)C1
|
tert-butyl 3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
|
CCOC(=O)c1nc(-c2cccc([N+](=O)[O-])c2)oc1N
|
ethyl 5-amino-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylate
|
[2H]c1c([2H])c([2H])c(-c2c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccc5oc6cc(-c7ccccc7)ccc6c5c4)c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c23)c([2H])c1[2H]
|
2-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]-7-phenyldibenzofuran
|
COc1ncccc1Cn1cc(NC(=O)C(N)C2CCC(F)(F)CC2)cn1
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2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-methoxypyridin-3-yl)methyl]pyrazol-4-yl]acetamide
|
COc1cc(-c2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)no2)cc(OC)c1OC
|
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzenesulfonamide
|
c1ccc2c(-c3ocnc3CNC3CC3)cccc2c1
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N-[(5-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
|
N#Cc1c(OC(F)F)ccn2ccnc12
|
7-(difluoromethoxy)imidazo[1,2-a]pyridine-8-carbonitrile
|
CC(C)Oc1ccc(/C=C\C(=O)Nc2cccc(F)c2)cc1N
|
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
|
COc1cccc2cc(C(=O)OCC(=O)Nc3ccccc3Cl)c(=O)oc12
|
[2-(2-chloroanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
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Clc1cc(OCCNc2ccccc2Br)c(Cl)cc1Br
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2-bromo-N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]aniline
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CCC(C)Nc1nc(Cl)c(C#N)c(NC(C)CC)n1
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2,4-bis(butan-2-ylamino)-6-chloropyrimidine-5-carbonitrile
|
C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@]3(COC(C)=O)[C@H](O)C[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)OC[C@@H]1OC(=O)/C(C)=C\C
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[(3S,4S,5R,6S)-6-[[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10R,12aR,14bS)-4a-(acetyloxymethyl)-4,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl]oxy]-5-hydroxy-4-[(Z)-2-methylbut-2-enoyl]oxyoxan-3-yl] (Z)-2-methylbut-2-enoate
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COc1ccnc(COCCNC(C)C)c1OC
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N-[2-[(3,4-dimethoxypyridin-2-yl)methoxy]ethyl]propan-2-amine
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CC(NC1CCN(C)CC1)c1ccc2c(c1)CCO2
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N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
|
CCCCCCCC/C=C/C/C=C/CCCCC(=O)OC[C@H](CO[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)C(O)C2O)[C@@H](O)C(O)C1O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCCC
|
[(2S)-1-[(6E,9E)-octadeca-6,9-dienoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (5E,8E,11E,14E)-tetracosa-5,8,11,14-tetraenoate
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CCN(CC)CCNC(=O)[C@@H]1CCCNC1.Cl.Cl
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(3R)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide;dihydrochloride
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N=C(N)Cc1cncn1C(F)(F)F
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2-[3-(trifluoromethyl)imidazol-4-yl]ethanimidamide
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CN(CC(=O)Nc1ccsc1)S(C)(=O)=O
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2-[methyl(methylsulfonyl)amino]-N-thiophen-3-ylacetamide
|
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCNC(=O)c1cccnc1
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N-[2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]pyridine-3-carboxamide
|
C/C=C(/C)[C@@]1(OC)c2c(OC)cccc2[C@@H]1O
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(7S,8R)-8-[(Z)-but-2-en-2-yl]-2,8-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
|
Cn1cc(Br)c(C(=O)N/N=C/c2cc(Cl)ccc2O)n1
|
4-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
|
CCCCC1(CCCC)CN(c2ccccc2)c2cc(CC)c(O/C=C/C(C)=O)cc2S(=O)(=O)C1.CCCCC1(CCCC)CN(c2ccccc2)c2cc(CC)c(O/C=C\C(C)=O)cc2S(=O)(=O)C1
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(Z)-4-[(3,3-dibutyl-7-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]but-3-en-2-one;(E)-4-[(3,3-dibutyl-7-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]but-3-en-2-one
|
N#CNC(=O)c1ccc2c(c1)CC(=O)N2
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N-cyano-2-oxo-1,3-dihydroindole-5-carboxamide
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COc1cccc(N(C)CCC(C)CCBr)c1
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N-(5-bromo-3-methylpentyl)-3-methoxy-N-methylaniline
|
Cc1cc2nc([C@@H]3CCCN(C(=O)Nc4c(C)cccc4C)C3)[nH]c2cc1C
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(3R)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
|
OC1(CNc2cccc(C(F)(F)F)n2)CCOCC1
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4-[[[6-(trifluoromethyl)pyridin-2-yl]amino]methyl]oxan-4-ol
|
O=C1CCC(c2nc(-c3coc4ccccc34)no2)CC1
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4-[3-(1-benzofuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
|
CN(C(=O)OC(C)(C)C)C(C)(C=O)c1cc(Cl)cc(Cl)c1
|
tert-butyl N-[2-(3,5-dichlorophenyl)-1-oxopropan-2-yl]-N-methylcarbamate
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CCCCC1CN(c2ccccc2)c2cc(SC)c(-c3cc(C(=O)O)n(C)n3)cc2S(O)(O)N1C
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5-(3-butyl-1,1-dihydroxy-2-methyl-7-methylsulfanyl-5-phenyl-3,4-dihydro-1λ4,2,5-benzothiadiazepin-8-yl)-2-methylpyrazole-3-carboxylic acid
|
CCC[C@H](C(N)=O)[C@@H](CC1CCCC1)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(OC)cc3)c2)C1=O
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(2S,3R)-3-(cyclopentylmethyl)-N'-[(3S)-1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxoazepan-3-yl]-2-propylbutanediamide
|
COc1ccc(-n2c(-c3ccccc3OC(=O)c3cccs3)nc3ccccc3c2=O)cc1
|
[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]phenyl] thiophene-2-carboxylate
|
CCNC(=NCC1(CC(C)C)CCC1)NCCS(=O)(=O)C(C)(C)C.I
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1-(2-tert-butylsulfonylethyl)-3-ethyl-2-[[1-(2-methylpropyl)cyclobutyl]methyl]guanidine;hydroiodide
|
COc1ccc(C2(c3ccc(OC)cc3)CCCN(Cc3cccc(C(=O)N4CC(C)CC(C)C4)c3)C2)cc1
|
[3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
|
O=C(O)c1ccc(/C=C/[C@@H](c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1Br
|
2-bromo-4-[(E,3S)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzoic acid
|
COc1ccc(CSC2CCCN(OS(=O)(=O)c3ccc(C)cc3)C2=N)cc1
|
[2-imino-3-[(4-methoxyphenyl)methylsulfanyl]piperidin-1-yl] 4-methylbenzenesulfonate
|
CC(=O)c1ccc(NC(=O)c2scnc2C)cc1
|
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
|
CN(CCC(=O)O)c1nccc2cc3c(cc12)OCCO3
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3-[2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl(methyl)amino]propanoic acid
|
CC(C)(C)OC(=O)N1CCC(CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C2CC2)CC1
|
tert-butyl 4-[[cyclopropyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
|
CCc1cc(Cl)cc(C=O)c1OCCO
|
5-chloro-3-ethyl-2-(2-hydroxyethoxy)benzaldehyde
|
O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1CC1CCCCC1
|
2-[3-[(2R)-2-(cyclohexylmethyl)pyrrolidin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
2-[[2-[[(21Z,24Z,27Z,30Z,33Z,36Z,39Z)-dotetraconta-21,24,27,30,33,36,39-heptaenoyl]amino]-3-hydroxyhexatriacontoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
|
CCCC[Si](Cl)(c1ccccc1)c1ccccc1
|
butyl-chloro-diphenylsilane
|
CC(C)C(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(F)cc4F)CC3)ccc21
|
1-[6-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
|
C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1
|
(3R,5S,8S)-8-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7,10-dioxo-2,11-dioxa-6,9,23-triazatetracyclo[15.6.2.13,6.020,24]hexacosa-1(23),17(25),18,20(24),21-pentaene-5-carboxamide
|
COc1cc(C)c(CN2CC3(CN(C)CC3c3n[nH]c(C)n3)C2)c(C)n1
|
2-[(6-methoxy-2,4-dimethylpyridin-3-yl)methyl]-7-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octane
|
CN(C)C(C)(C)CNc1ccc(I)cc1[N+](=O)[O-]
|
1-N-(4-iodo-2-nitrophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
|
N#Cc1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
|
3-carbazol-9-yl-5-[4-carbazol-9-yl-6-(3-carbazol-9-yl-5-cyanophenyl)pyridin-2-yl]benzonitrile
|
COc1ccccc1-c1ccc(=O)n([C@@H](C(C)=O)C(=O)N(C)C)n1
|
(2S)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N,N-dimethyl-3-oxobutanamide
|
Cc1nc(-c2cccc(NC(=O)Nc3ccc(C(C)C)cc3)c2)no1
|
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-propan-2-ylphenyl)urea
|
C#CCOc1ccccc1/C=N\NC(=S)NCCN1CCOCC1
|
1-(2-morpholin-4-ylethyl)-3-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]thiourea
|
CCCCCNC(=NC)NC1C2CCOC2C12CCCC2.I
|
2-methyl-1-pentyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
|
O=C1C=CC=CC1I
|
6-iodocyclohexa-2,4-dien-1-one
|
CN1C(=O)C=CC1=O.O=C1C=CC(=O)O1
|
furan-2,5-dione;1-methylpyrrole-2,5-dione
|
N=C/C=C(\N)c1ccc2c(NCc3cccnc3)cc(N)nc2c1
|
7-[(Z)-1-amino-3-iminoprop-1-enyl]-4-N-(pyridin-3-ylmethyl)quinoline-2,4-diamine
|
CCNC(CCCC(C)C)c1ccn(-c2ccccc2)n1
|
N-ethyl-5-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-amine
|
C.CCO.CO.COc1ccc(C(F)(F)F)cc1.Cc1cccc(O)c1N.Cc1cccc2oc(-c3ccc(C(F)(F)F)cc3)nc12.ClC(Cl)(Cl)Cl.FC(F)(F)c1ccc(-c2nc3c(CBr)cccc3o2)cc1.NCc1cccc2oc(-c3ccc(C(F)(F)F)cc3)nc12.NN.O.O=C1[N-]C(=O)c2ccccc21.O=C1c2ccccc2C(=O)N1Cc1cccc2oc(-c3ccc(C(F)(F)F)cc3)nc12.[2H]CF.[K+]
|
potassium;2-amino-3-methylphenol;4-(bromomethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;deuterio(fluoro)methane;ethanol;hydrazine;isoindol-2-ide-1,3-dione;methane;methanol;1-methoxy-4-(trifluoromethyl)benzene;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;tetrachloromethane;[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-yl]methanamine;2-[[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-yl]methyl]isoindole-1,3-dione;hydrate
|
CCCN(CCC)C(=S)N[C@H]1C[C@@H]2C=C[C@H]1C2
|
3-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,1-dipropylthiourea
|
O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1c(F)cccc1F
|
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
|
CNC(CN1CCC(C(F)(F)F)CC1)C1CC1
|
1-cyclopropyl-N-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanamine
|
Cn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1I
|
8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-3-methyl-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione
|
Cc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1
|
(3R)-1-(4-bromophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
|
Cc1nonc1CC(=O)N1CCCC(Nc2ccc3c(c2)OCCO3)C1
|
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
|
CCOc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2
|
3-[[4-(1,3-benzodioxol-5-ylmethoxy)-3-ethoxy-5-nitrophenyl]methylideneamino]-6-bromo-2-propan-2-ylquinazolin-4-one
|
CCOc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC
|
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
|
CCOCCCn1c(C2CCCC2)nc2c1CCNC2
|
2-cyclopentyl-1-(3-ethoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
|
COC(=O)NC1CN(c2nc3ncc(C(F)(F)F)cc3n3cnnc23)C1
|
methyl N-[1-[12-(trifluoromethyl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl]azetidin-3-yl]carbamate
|
Cc1ccc2nc(COC(=O)c3ccc(CS(C)(=O)=O)cc3)cc(=O)n2c1
|
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methylsulfonylmethyl)benzoate
|
CCCCCOc1cc(NC(=O)c2ccc(O)cc2)ccc1OC
|
4-hydroxy-N-(4-methoxy-3-pentoxyphenyl)benzamide
|
CN(C)C1=NN(c2ccccc2)C(=O)C1
|
5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one
|
CCCOC(=O)C1=C(C(=O)O)N2C(=O)[C@H](N)CN2C1
|
(2R)-2-amino-3-oxo-6-propoxycarbonyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
|
O=C(CCc1ccccc1)N1c2cccc3ccc[n+](c23)[B-]1(c1ccccc1)c1ccccc1
|
1-(2,2-diphenyl-3-aza-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-3-phenylpropan-1-one
|
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C
|
[(1S,2S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
COc1ccc(I)c(C(=O)N2CCCCC2)c1
|
(2-iodo-5-methoxyphenyl)-piperidin-1-ylmethanone
|
COCCOCCOc1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccc(OCCOCCOC)cc3)CCN(Cc3ccccc3)CC2)cc1
|
1,7-dibenzyl-4,10-bis[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
|
CSCCC(C)Nc1ccncc1Br
|
3-bromo-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
|
COc1cccc(-n2nn[nH]c2=O)c1COc1ccc(C(C)=NOCc2ccccc2)cc1C
|
4-[3-methoxy-2-[[2-methyl-4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenoxy]methyl]phenyl]-1H-tetrazol-5-one
|
CC1CC[C@@H](Nc2c(C(N)=O)cnn3cc(-c4cnc5ccccc5c4)cc23)C1(C)C
|
6-quinolin-3-yl-4-[[(1R)-2,2,3-trimethylcyclopentyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
|
COCCN(C1CC1)C1CCC(O)C1
|
3-[cyclopropyl(2-methoxyethyl)amino]cyclopentan-1-ol
|
O=C1CCCCN1CCCC(=O)N1CCCC2(CCc3cn[nH]c32)C1
|
1-(4-oxo-4-spiro[4,5-dihydro-1H-cyclopenta[c]pyrazole-6,3'-piperidine]-1'-ylbutyl)piperidin-2-one
|
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