id
int64
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14.3M
contents
stringlengths
20
59.7k
14,268,911
CID: 3741548 SMILES: COC(=O)C(C)NC(=O)NCC1CCCO1 Molecular Formula: C10H18N2O4
14,268,912
CID: 3741549 SMILES: CC(NC(=O)NCc1ccccc1)C(=O)O IUPAC Name: 2-(benzylcarbamoylamino)propanoic acid
14,268,913
CID: 3741549 SMILES: CC(NC(=O)NCc1ccccc1)C(=O)O Molecular Weight: 222.24
14,268,914
CID: 3741549 SMILES: CC(NC(=O)NCc1ccccc1)C(=O)O Molecular Formula: C11H14N2O3
14,268,915
CID: 3741550 SMILES: N#CCOc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O IUPAC Name: 2-[[2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
14,268,916
CID: 3741550 SMILES: N#CCOc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O Molecular Weight: 329.7
14,268,917
CID: 3741550 SMILES: N#CCOc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O Molecular Formula: C17H9ClFNO3
14,268,918
CID: 3741551 SMILES: COc1cc(NC(=S)N2CCOC(COc3c(C(C)=O)ccc(OC)c3OC)C2)c(OC)cc1Cl IUPAC Name: 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide
14,268,919
CID: 3741551 SMILES: COc1cc(NC(=S)N2CCOC(COc3c(C(C)=O)ccc(OC)c3OC)C2)c(OC)cc1Cl Molecular Weight: 525.0
14,268,920
CID: 3741551 SMILES: COc1cc(NC(=S)N2CCOC(COc3c(C(C)=O)ccc(OC)c3OC)C2)c(OC)cc1Cl Molecular Formula: C24H29ClN2O7S
14,268,921
CID: 3741552 SMILES: COC(=O)C(C)NC(=O)NCC(OC)OC IUPAC Name: methyl 2-(2,2-dimethoxyethylcarbamoylamino)propanoate
14,268,922
CID: 3741552 SMILES: COC(=O)C(C)NC(=O)NCC(OC)OC Molecular Weight: 234.25
14,268,923
CID: 3741552 SMILES: COC(=O)C(C)NC(=O)NCC(OC)OC Molecular Formula: C9H18N2O5
14,268,924
CID: 3741553 SMILES: COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(Cl)cc1Cl IUPAC Name: methyl 2-[11-(2,4-dichlorobenzoyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraen-14-yl]benzoate
14,268,925
CID: 3741553 SMILES: COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(Cl)cc1Cl Molecular Weight: 547.4
14,268,926
CID: 3741553 SMILES: COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccc(Cl)cc1Cl Molecular Formula: C29H20Cl2N2O5
14,268,927
CID: 3741554 SMILES: Cc1ccc(C(O)C(Sc2ccccc2)n2nnc3ccccc32)cc1 IUPAC Name: 2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylsulfanylethanol
14,268,928
CID: 3741554 SMILES: Cc1ccc(C(O)C(Sc2ccccc2)n2nnc3ccccc32)cc1 Molecular Weight: 361.5
14,268,929
CID: 3741554 SMILES: Cc1ccc(C(O)C(Sc2ccccc2)n2nnc3ccccc32)cc1 Molecular Formula: C21H19N3OS
14,268,930
CID: 3741555 SMILES: O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1OCc1ccc([N+](=O)[O-])cc1 IUPAC Name: 1-[(4-nitrophenyl)methoxy]-4,6-diphenylpyridin-2-one
14,268,931
CID: 3741555 SMILES: O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1OCc1ccc([N+](=O)[O-])cc1 Molecular Weight: 398.4
14,268,932
CID: 3741555 SMILES: O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1OCc1ccc([N+](=O)[O-])cc1 Molecular Formula: C24H18N2O4
14,268,933
CID: 3741556 SMILES: O=C(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 IUPAC Name: phenyl-(1,4,6-triphenylpyridin-1-ium-2-yl)methanone
14,268,934
CID: 3741556 SMILES: O=C(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 Molecular Weight: 412.5
14,268,935
CID: 3741556 SMILES: O=C(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccc1 Molecular Formula: C30H22NO+
14,268,936
CID: 3741557 SMILES: O=c1c(=Cc2cccc(F)c2)sc2nc(-c3cccs3)nn12 IUPAC Name: 5-[(3-fluorophenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
14,268,937
CID: 3741557 SMILES: O=c1c(=Cc2cccc(F)c2)sc2nc(-c3cccs3)nn12 Molecular Weight: 329.4
14,268,938
CID: 3741557 SMILES: O=c1c(=Cc2cccc(F)c2)sc2nc(-c3cccs3)nn12 Molecular Formula: C15H8FN3OS2
14,268,939
CID: 3741558 SMILES: CC(C)(C)c1csc(-c2ccc(C=NC(C#N)=C(N)C#N)cc2)n1 IUPAC Name: 2-amino-3-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino]but-2-enedinitrile
14,268,940
CID: 3741558 SMILES: CC(C)(C)c1csc(-c2ccc(C=NC(C#N)=C(N)C#N)cc2)n1 Molecular Weight: 335.4
14,268,941
CID: 3741558 SMILES: CC(C)(C)c1csc(-c2ccc(C=NC(C#N)=C(N)C#N)cc2)n1 Molecular Formula: C18H17N5S
14,268,942
CID: 3741559 SMILES: CN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 IUPAC Name: 4-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
14,268,943
CID: 3741559 SMILES: CN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 Molecular Weight: 434.4
14,268,944
CID: 3741559 SMILES: CN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 Molecular Formula: C21H17F3N2O3S
14,268,945
CID: 3741560 SMILES: C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1 IUPAC Name: 3-methyl-1-naphthalen-1-yl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
14,268,946
CID: 3741560 SMILES: C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1 Molecular Weight: 288.4
14,268,947
CID: 3741560 SMILES: C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1 Molecular Formula: C20H20N2
14,268,948
CID: 3741561 SMILES: C=CCNc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile
14,268,949
CID: 3741561 SMILES: C=CCNc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N Molecular Weight: 346.8
14,268,950
CID: 3741561 SMILES: C=CCNc1nc(-c2ccccc2)nc(-c2ccc(Cl)cc2)c1C#N Molecular Formula: C20H15ClN4
14,268,951
CID: 3741562 SMILES: COc1ccc(N2CCc3c(C)nc4c(OC)cccc4c32)c(OC)c1 IUPAC Name: 1-(2,4-dimethoxyphenyl)-6-methoxy-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
14,268,952
CID: 3741562 SMILES: COc1ccc(N2CCc3c(C)nc4c(OC)cccc4c32)c(OC)c1 Molecular Weight: 350.4
14,268,953
CID: 3741562 SMILES: COc1ccc(N2CCc3c(C)nc4c(OC)cccc4c32)c(OC)c1 Molecular Formula: C21H22N2O3
14,268,954
CID: 3741563 SMILES: COC(=O)c1ccc(-n2cccn2)nc1 IUPAC Name: methyl 6-pyrazol-1-ylpyridine-3-carboxylate
14,268,955
CID: 3741563 SMILES: COC(=O)c1ccc(-n2cccn2)nc1 Molecular Weight: 203.20
14,268,956
CID: 3741563 SMILES: COC(=O)c1ccc(-n2cccn2)nc1 Molecular Formula: C10H9N3O2
14,268,957
CID: 3741564 SMILES: O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1CC[N+](=O)[O-] IUPAC Name: N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2-nitroethyl)benzohydrazide
14,268,958
CID: 3741564 SMILES: O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1CC[N+](=O)[O-] Molecular Weight: 388.73
14,268,959
CID: 3741564 SMILES: O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1CC[N+](=O)[O-] Molecular Formula: C15H12ClF3N4O3
14,268,960
CID: 3741565 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]piperidine-4-carboxamide
14,268,961
CID: 3741565 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 Molecular Weight: 532.9
14,268,962
CID: 3741565 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 Molecular Formula: C22H24Cl3N3O4S
14,268,963
CID: 3741566 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 IUPAC Name: N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
14,268,964
CID: 3741566 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 Molecular Weight: 457.6
14,268,965
CID: 3741566 SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 Molecular Formula: C24H31N3O4S
14,268,966
CID: 3741567 SMILES: O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(O)c1ccccc1 IUPAC Name: N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
14,268,967
CID: 3741567 SMILES: O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(O)c1ccccc1 Molecular Weight: 389.2
14,268,968
CID: 3741567 SMILES: O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(O)c1ccccc1 Molecular Formula: C19H14Cl2N2O3
14,268,969
CID: 3741568 SMILES: O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCN(Cc2ccncc2)CC1 IUPAC Name: 4-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]fluoren-9-one
14,268,970
CID: 3741568 SMILES: O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCN(Cc2ccncc2)CC1 Molecular Weight: 397.5
14,268,971
CID: 3741568 SMILES: O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCN(Cc2ccncc2)CC1 Molecular Formula: C25H23N3O2
14,268,972
CID: 3741569 SMILES: COC(=O)c1c(CN2CCCN(Cc3ccsc3)CC2)c(C)n(C)c1C IUPAC Name: methyl 1,2,5-trimethyl-4-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrole-3-carboxylate
14,268,973
CID: 3741569 SMILES: COC(=O)c1c(CN2CCCN(Cc3ccsc3)CC2)c(C)n(C)c1C Molecular Weight: 375.5
14,268,974
CID: 3741569 SMILES: COC(=O)c1c(CN2CCCN(Cc3ccsc3)CC2)c(C)n(C)c1C Molecular Formula: C20H29N3O2S
14,268,975
CID: 3741570 SMILES: COC(=O)c1ccc(OC(=O)N2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 IUPAC Name: (4-methoxycarbonylphenyl) 4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxylate
14,268,976
CID: 3741570 SMILES: COC(=O)c1ccc(OC(=O)N2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 Molecular Weight: 446.5
14,268,977
CID: 3741570 SMILES: COC(=O)c1ccc(OC(=O)N2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1 Molecular Formula: C22H26N2O6S
14,268,978
CID: 3741571 SMILES: COc1ccc(C2(C(=O)Nc3cnn(Cn4nnc5ccccc54)c3)CC2)cc1 IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
14,268,979
CID: 3741571 SMILES: COc1ccc(C2(C(=O)Nc3cnn(Cn4nnc5ccccc54)c3)CC2)cc1 Molecular Weight: 388.4
14,268,980
CID: 3741571 SMILES: COc1ccc(C2(C(=O)Nc3cnn(Cn4nnc5ccccc54)c3)CC2)cc1 Molecular Formula: C21H20N6O2
14,268,981
CID: 3741572 SMILES: CC(C)(C)C(=O)OCn1cc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cn1 IUPAC Name: [4-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
14,268,982
CID: 3741572 SMILES: CC(C)(C)C(=O)OCn1cc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cn1 Molecular Weight: 420.5
14,268,983
CID: 3741572 SMILES: CC(C)(C)C(=O)OCn1cc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cn1 Molecular Formula: C18H20N4O4S2
14,268,984
CID: 3741573 SMILES: O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CCCc1ccc3c(c1)OCCO3)C2)c1ccco1 IUPAC Name: N-[2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
14,268,985
CID: 3741573 SMILES: O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CCCc1ccc3c(c1)OCCO3)C2)c1ccco1 Molecular Weight: 495.6
14,268,986
CID: 3741573 SMILES: O=C(NCC(=O)N1CCC2(CC1)CCN(C(=O)CCCc1ccc3c(c1)OCCO3)C2)c1ccco1 Molecular Formula: C27H33N3O6
14,268,987
CID: 3741574 SMILES: COc1ccc(CN2C(=O)CC(C(=O)Nc3ccc(C(=O)O)cc3)SC2=Nc2ccccc2)cc1 IUPAC Name: 4-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid
14,268,988
CID: 3741574 SMILES: COc1ccc(CN2C(=O)CC(C(=O)Nc3ccc(C(=O)O)cc3)SC2=Nc2ccccc2)cc1 Molecular Weight: 489.5
14,268,989
CID: 3741574 SMILES: COc1ccc(CN2C(=O)CC(C(=O)Nc3ccc(C(=O)O)cc3)SC2=Nc2ccccc2)cc1 Molecular Formula: C26H23N3O5S
14,268,990
CID: 3741575 SMILES: Cc1ccc(C2=CC(c3ccccc3Cl)n3nnnc3N2)cc1 IUPAC Name: 7-(2-chlorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
14,268,991
CID: 3741575 SMILES: Cc1ccc(C2=CC(c3ccccc3Cl)n3nnnc3N2)cc1 Molecular Weight: 323.8
14,268,992
CID: 3741575 SMILES: Cc1ccc(C2=CC(c3ccccc3Cl)n3nnnc3N2)cc1 Molecular Formula: C17H14ClN5
14,268,993
CID: 3741576 SMILES: COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 IUPAC Name: 2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
14,268,994
CID: 3741576 SMILES: COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 Molecular Weight: 488.6
14,268,995
CID: 3741576 SMILES: COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 Molecular Formula: C24H25FN2O4S2
14,268,996
CID: 3741577 SMILES: CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1Br IUPAC Name: 3-bromo-4-ethoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
14,268,997
CID: 3741577 SMILES: CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1Br Molecular Weight: 581.5
14,268,998
CID: 3741577 SMILES: CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1Br Molecular Formula: C28H29BrN4O3S
14,268,999
CID: 3741578 SMILES: CCCCN1C(=O)C(O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 IUPAC Name: 1-butyl-3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]indol-2-one
14,269,000
CID: 3741578 SMILES: CCCCN1C(=O)C(O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 Molecular Weight: 393.5
14,269,001
CID: 3741578 SMILES: CCCCN1C(=O)C(O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 Molecular Formula: C25H31NO3
14,269,002
CID: 3741579 SMILES: CCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 IUPAC Name: 5-chloro-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
14,269,003
CID: 3741579 SMILES: CCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 Molecular Weight: 449.9
14,269,004
CID: 3741579 SMILES: CCOc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 Molecular Formula: C26H24ClNO4
14,269,005
CID: 3741580 SMILES: Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
14,269,006
CID: 3741580 SMILES: Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 Molecular Weight: 471.5
14,269,007
CID: 3741580 SMILES: Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 Molecular Formula: C28H25NO6
14,269,008
CID: 3741581 SMILES: Cc1ccc(C(C)C)cc1CN1C(=O)C(O)(CC(=O)c2ccc(Br)s2)c2ccccc21 IUPAC Name: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
14,269,009
CID: 3741581 SMILES: Cc1ccc(C(C)C)cc1CN1C(=O)C(O)(CC(=O)c2ccc(Br)s2)c2ccccc21 Molecular Weight: 498.4
14,269,010
CID: 3741581 SMILES: Cc1ccc(C(C)C)cc1CN1C(=O)C(O)(CC(=O)c2ccc(Br)s2)c2ccccc21 Molecular Formula: C25H24BrNO3S