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BDE
BDE
表記:N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE
組成式:C13 H9 Br2 N3 O3
SMILES:O=C(NN=Cc1cc(Br)c(O)c(Br)c1O)c2cccnc2
InChi:InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
定義日:2006-04-10
最終更新日:2011-06-04
識別子（ID）:N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]pyridine-3-carbohydrazide
OXZ
OXZ
表記:TETRAHYDROOXAZINE
組成式:C5 H11 N O4
SMILES:OC1C(ONCC1O)CO
InChi:InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1
定義日:2004-07-16
最終更新日:2011-06-04
識別子（ID）:(4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol
BDH
BDH
表記:L-BETA-ASPARTYLHISTIDINE
組成式:C10 H14 N4 O5
SMILES:O=C(O)C(N)CC(=O)NC(C(=O)O)Cc1cncn1
InChi:InChI=1S/C10H14N4O5/c11-6(9(16)17)2-8(15)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7-/m0/s1
定義日:2005-02-01
最終更新日:2011-06-04
識別子（ID）:L-beta-aspartyl-L-histidine
BDJ
BDJ
表記:(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one
組成式:C12 H14 Cl N3 O
SMILES:CC1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O
InChi:InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15)
定義日:2010-01-11
最終更新日:2011-06-04
識別子（ID）:3-[(3-chlorophenyl)methyl]-2-imino-5,5-dimethyl-imidazolidin-4-one
BDO
BDO
表記:(2Z,5R)-3-(3-chlorobenzyl)-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
組成式:C15 H20 Cl N3 O
SMILES:CC(C)C[C]1(C)NC(=N)N(Cc2cccc(Cl)c2)C1=O
InChi:InChI=1S/C15H20ClN3O/c1-10(2)8-15(3)13(20)19(14(17)18-15)9-11-5-4-6-12(16)7-11/h4-7,10H,8-9H2,1-3H3,(H2,17,18)/t15-/m1/s1
定義日:2010-01-11
最終更新日:2011-06-04
識別子（ID）:(5R)-3-[(3-chlorophenyl)methyl]-2-imino-5-methyl-5-(2-methylpropyl)imidazolidin-4-one
BDS
BDS
表記:2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-SUCCINIC ACID
組成式:C20 H18 O8
SMILES:O=C(O)C(Cc2ccc1OCOc1c2)C(C(=O)O)Cc3ccc4OCOc4c3
InChi:InChI=1S/C20H18O8/c21-19(22)13(5-11-1-3-15-17(7-11)27-9-25-15)14(20(23)24)6-12-2-4-16-18(8-12)28-10-26-16/h1-4,7-8,13-14H,5-6,9-10H2,(H,21,22)(H,23,24)/t13-,14-/m0/s1
定義日:2001-07-11
最終更新日:2011-06-04
識別子（ID）:(2S,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butanedioic acid
BE0
BE0
表記:piperidine-1-sulfonamide
組成式:C5 H12 N2 O2 S
SMILES:O=S(=O)(N)N1CCCCC1
InChi:InChI=1S/C5H12N2O2S/c6-10(8,9)7-4-2-1-3-5-7/h1-5H2,(H2,6,8,9)
定義日:2010-03-11
最終更新日:2011-06-04
識別子（ID）:piperidine-1-sulfonamide
BE9
BE9
表記:phenyl N-sulfamoylmorpholine-4-carboximidoate
組成式:C11 H15 N3 O4 S
SMILES:O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N
InChi:InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-
定義日:2010-03-09
最終更新日:2011-06-04
識別子（ID）:phenyl N-sulfamoylmorpholine-4-carboximidoate
BEN
BEN
表記:BENZAMIDINE
組成式:C7 H8 N2
SMILES:[N@H]=C(N)c1ccccc1
InChi:InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzenecarboximidamide
BEV
BEV
表記:N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide
組成式:C3 H7 N3 O2 S2
SMILES:O=S(=O)(/N=C1SCCN1)N
InChi:InChI=1S/C3H7N3O2S2/c4-10(7,8)6-3-5-1-2-9-3/h1-2H2,(H,5,6)(H2,4,7,8)
定義日:2010-03-11
最終更新日:2011-06-04
識別子（ID）:N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfuric diamide
BEW
BEW
表記:1-hydroxy-2-sulfanylpyridinium
組成式:C5 H6 N O S
SMILES:O[n+]1ccccc1S
InChi:InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H/p+1
定義日:2010-03-11
最終更新日:2011-06-04
識別子（ID）:1-hydroxy-2-sulfanylpyridinium
BEY
BEY
表記:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
組成式:C19 H24 N O4 P
SMILES:O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2
InChi:InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
定義日:2008-09-16
最終更新日:2011-06-04
識別子（ID）:(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
OZR
OZR
表記:N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
組成式:C14 H16 N2 O8
SMILES:[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O
InChi:InChI=1S/C14H16N2O8/c17-9-5-7(16(22)23)4-8(12(9)19)14(21)15-3-1-2-11-13(20)10(18)6-24-11/h1-2,4-5,10-11,13,17-20H,3,6H2,(H,15,21)/b2-1+/t10-,11+,13-/m0/s1
定義日:2010-10-10
最終更新日:2011-06-04
識別子（ID）:(5E)-1,4-anhydro-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-D-ribo-hept-5-enitol
OZS
OZS
表記:N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
組成式:C18 H17 F3 N4 O8
SMILES:[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(n2cnc(c2)C(F)(F)F)C(O)C3O
InChi:InChI=1S/C18H17F3N4O8/c19-18(20,21)12-6-24(7-23-12)17-15(29)14(28)11(33-17)2-1-3-22-16(30)9-4-8(25(31)32)5-10(26)13(9)27/h1-2,4-7,11,14-15,17,26-29H,3H2,(H,22,30)/b2-1+/t11-,14-,15-,17-/m1/s1
定義日:2010-10-10
最終更新日:2011-06-04
識別子（ID）:1-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}-4-(trifluoromethyl)-1H-imidazole
BFA
BFA
表記:9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
組成式:C17 H17 Br N4 O
SMILES:O=C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br
InChi:InChI=1S/C17H17BrN4O/c1-22(2)10-9-19-17(23)11-5-3-7-13-15(11)21-16-12(18)6-4-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,19,23)
定義日:2000-02-22
最終更新日:2011-06-04
識別子（ID）:9-bromo-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
OZZ
OZZ
表記:N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
組成式:C19 H19 N3 O9
SMILES:[O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C3OC(N2C=CC(=O)C=C2)C(O)C3O
InChi:InChI=1S/C19H19N3O9/c23-11-3-6-21(7-4-11)19-17(27)16(26)14(31-19)2-1-5-20-18(28)12-8-10(22(29)30)9-13(24)15(12)25/h1-4,6-9,14,16-17,19,24-27H,5H2,(H,20,28)/b2-1+/t14-,16-,17-,19-/m1/s1
定義日:2010-10-10
最終更新日:2011-06-04
識別子（ID）:1-{(5E)-5,6,7-trideoxy-7-[(2,3-dihydroxy-5-nitrobenzoyl)amino]-beta-D-ribo-hept-5-enofuranosyl}pyridin-4(1H)-one
BFG
BFG
表記:3,3-diphenyl-N-(2-sulfanylethyl)propanamide
組成式:C17 H19 N O S
SMILES:O=C(NCCS)CC(c1ccccc1)c2ccccc2
InChi:InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19)
定義日:2010-03-15
最終更新日:2011-06-04
識別子（ID）:3,3-diphenyl-N-(2-sulfanylethyl)propanamide
P03
P03
表記:2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
組成式:C10 H22 O5
SMILES:OCCOCCCOCCCOCCO
InChi:InChI=1S/C10H22O5/c11-3-9-14-7-1-5-13-6-2-8-15-10-4-12/h11-12H,1-10H2
定義日:2010-02-19
最終更新日:2011-06-04
識別子（ID）:2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
BFH
BFH
表記:1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
組成式:C15 H11 N O4
SMILES:O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
InChi:InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
BFL
BFL
表記:2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
組成式:C15 H14 O2
SMILES:O=C(O)C(c2ccc(c1ccccc1)cc2)C
InChi:InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1
定義日:2003-08-18
最終更新日:2011-06-04
識別子（ID）:(2S)-2-biphenyl-4-ylpropanoic acid
BFX
BFX
表記:4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
組成式:C31 H31 Br Cl F N2 O2
SMILES:Clc1ccccc1CN(C(=O)C4=C(c2ccc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5
InChi:InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
P0P
P0P
表記:[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE
組成式:C8 H12 N O7 P
SMILES:O=P(O)(O)OCc1cnc(c(O)c1C(O)O)C
InChi:InChI=1S/C8H12NO7P/c1-4-7(10)6(8(11)12)5(2-9-4)3-16-17(13,14)15/h2,8,10-12H,3H2,1H3,(H2,13,14,15)
定義日:2006-04-14
最終更新日:2011-06-04
識別子（ID）:[4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
BGF
BGF
表記:2,5-BIS(4-GUANYLPHENYL)FURAN
組成式:C18 H18 N4 O
SMILES:o1c(ccc1c2ccc(C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])N)cc3
InChi:InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(furan-2,5-diyldibenzene-4,1-diyl)bis(aminomethaniminium)
P10
P10
表記:[1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
組成式:C27 H29 N3 O5
SMILES:O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1)Cc2ccccc2)CCc3ccccc3
InChi:InChI=1S/C27H29N3O5/c31-18-25(32)23(14-13-20-8-3-1-4-9-20)29-26(33)24(16-21-10-5-2-6-11-21)30-27(34)35-19-22-12-7-15-28-17-22/h1-12,15,17,23-24,31H,13-14,16,18-19H2,(H,29,33)(H,30,34)/t23-,24-/m0/s1
定義日:2002-08-19
最終更新日:2011-06-04
識別子（ID）:N-[(1S)-3-hydroxy-2-oxo-1-(2-phenylethyl)propyl]-Nalpha-[(pyridin-3-ylmethoxy)carbonyl]-L-phenylalaninamide
P19
P19
表記:N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
組成式:C17 H14 N6
SMILES:n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4
InChi:InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
定義日:2007-05-11
最終更新日:2011-06-04
識別子（ID）:N,N'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

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