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UWR
UWR
表記:(2R)-amino(3-chlorophenyl)acetonitrile
組成式:C8 H7 Cl N2
SMILES:NC(C#N)c1cc(Cl)ccc1
InChi:InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-amino(3-chlorophenyl)acetonitrile
VD6
VD6
表記:(2R)-1-benzylpiperidine-2-carboxylic acid
組成式:C13 H17 N O2
SMILES:O=C(O)C1CCCCN1Cc1ccccc1
InChi:InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-1-benzylpiperidine-2-carboxylic acid
W9E
W9E
表記:N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide
組成式:C8 H7 F3 N2 O
SMILES:FC(F)(F)c1ccc(cc1)C(=N)NO
InChi:InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide
VS7
VS7
表記:(2R)-1-(1H-indol-3-yl)propan-2-amine
組成式:C11 H14 N2
SMILES:CC(N)Cc1c[NH]c2ccccc21
InChi:InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2R)-1-(1H-indol-3-yl)propan-2-amine
VDD
VDD
表記:(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
組成式:C8 H9 N O2 S
SMILES:CC(Sc1ccccn1)C(=O)O
InChi:InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid
W9O
W9O
表記:N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine
組成式:C11 H24 N4
SMILES:CNCC1CCCCC1CN1CNCN1
InChi:InChI=1S/C11H24N4/c1-12-6-10-4-2-3-5-11(10)7-15-9-13-8-14-15/h10-14H,2-9H2,1H3/t10-,11+/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine
VDI
VDI
表記:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
組成式:C11 H11 Cl O2
SMILES:OC(=O)C1(CCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
VSL
VSL
表記:methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate
組成式:C9 H12 N2 O2
SMILES:O=C(OC)c1[NH]nc2CCCCc12
InChi:InChI=1S/C9H12N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate
W9U
W9U
表記:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
組成式:C12 H22 N2 O2
SMILES:O=C(C1CCCCC1)N1CCC(NO)CC1
InChi:InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone
UXB
UXB
表記:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
組成式:C9 H12 Cl N O
SMILES:NC(CCO)c1cc(Cl)ccc1
InChi:InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
定義日:2022-08-26
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
VST
VST
表記:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
組成式:C10 H10 F N O3 S
SMILES:Fc1ccc2c(c1)C(/CCS2(=O)=O)=NOC
InChi:InChI=1S/C10H10FNO3S/c1-15-12-9-4-5-16(13,14)10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9-
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4Z)-6-fluoro-4-(methoxyimino)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
WA0
WA0
表記:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
組成式:C11 H13 N3
SMILES:NC(Cc1ncc[NH]1)c1ccccc1
InChi:InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/s1
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
VSX
VSX
表記:N-(2-amino-5-chlorophenyl)acetamide
組成式:C8 H9 Cl N2 O
SMILES:Nc1ccc(Cl)cc1NC(C)=O
InChi:InChI=1S/C8H9ClN2O/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4H,10H2,1H3,(H,11,12)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2-amino-5-chlorophenyl)acetamide
VE0
VE0
表記:N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
組成式:C11 H16 N4 O
SMILES:N=C(NO)c1cccnc1N1CCCCC1
InChi:InChI=1S/C11H16N4O/c12-10(14-16)9-5-4-6-13-11(9)15-7-2-1-3-8-15/h4-6,16H,1-3,7-8H2,(H2,12,14)
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-hydroxy-2-(piperidin-1-yl)pyridine-3-carboximidamide
WA8
WA8
表記:2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
組成式:C13 H16 N2 O2
SMILES:O=C(CN1C=CC=CC1=O)N(CC=C)CC=C
InChi:InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
VE3
VE3
表記:N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
組成式:C9 H15 N3 O S
SMILES:O=C(c1snnc1CC)N(CC)CC
InChi:InChI=1S/C9H15N3OS/c1-4-7-8(14-11-10-7)9(13)12(5-2)6-3/h4-6H2,1-3H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
WAE
WAE
表記:N-(2,6-dimethylphenyl)methanesulfonamide
組成式:C9 H13 N O2 S
SMILES:O=S(C)(=O)Nc1c(C)cccc1C
InChi:InChI=1S/C9H13NO2S/c1-7-5-4-6-8(2)9(7)10-13(3,11)12/h4-6,10H,1-3H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:N-(2,6-dimethylphenyl)methanesulfonamide
VTC
VTC
表記:3-aminophenyl dimethylcarbamate
組成式:C9 H12 N2 O2
SMILES:O=C(Oc1cccc(N)c1)N(C)C
InChi:InChI=1S/C9H12N2O2/c1-11(2)9(12)13-8-5-3-4-7(10)6-8/h3-6H,10H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-aminophenyl dimethylcarbamate
VEC
VEC
表記:methyl N-(3-hydroxybenzoyl)-N-methylglycinate
組成式:C11 H13 N O4
SMILES:O=C(c1cc(O)ccc1)N(C)CC(=O)OC
InChi:InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:methyl N-(3-hydroxybenzoyl)-N-methylglycinate
WAO
WAO
表記:2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C10 H9 Cl F N3 O
SMILES:Fc1ccc(cc1Cl)CN1N=CN(C)C1=O
InChi:InChI=1S/C10H9ClFN3O/c1-14-6-13-15(10(14)16)5-7-2-3-9(12)8(11)4-7/h2-4,6H,5H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
VTH
VTH
表記:4-methoxy-2-nitrobenzonitrile
組成式:C8 H6 N2 O3
SMILES:COc1ccc(C#N)c(c1)N(=O)=O
InChi:InChI=1S/C8H6N2O3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:4-methoxy-2-nitrobenzonitrile
WAX
WAX
表記:(3-aminophenyl)(morpholin-4-yl)methanone
組成式:C11 H14 N2 O2
SMILES:O=C(c1cccc(N)c1)N1CCOCC1
InChi:InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3-aminophenyl)(morpholin-4-yl)methanone
VTO
VTO
表記:ethyl 2-aminopyridine-4-carboxylate
組成式:C8 H10 N2 O2
SMILES:Nc1cc(ccn1)C(=O)OCC
InChi:InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3,(H2,9,10)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:ethyl 2-aminopyridine-4-carboxylate
UYL
UYL
表記:(5R)-2,7-diazaspiro[4.5]dec-1-en-3-one
組成式:C8 H12 N2 O
SMILES:O=C1N=CC2(C1)CCCNC2
InChi:InChI=1S/C8H12N2O/c11-7-4-8(6-10-7)2-1-3-9-5-8/h6,9H,1-5H2/t8-/m1/s1
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(5R)-2,7-diazaspiro[4.5]dec-1-en-3-one
VTT
VTT
表記:3-methylthiophene-2-carbohydrazide
組成式:C6 H8 N2 O S
SMILES:O=C(NN)c1sccc1C
InChi:InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:3-methylthiophene-2-carbohydrazide

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