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BH0
BH0
Name:3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
Formula:C32 H30 N4 O6 S
SMILES:O=S(=O)(c1cccc(C#N)c1)N2N(C(=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc5ccc(O)cc5
InChi:InChI=1S/C32H30N4O6S/c33-19-26-7-4-8-29(17-26)43(41,42)36-22-31(39)30(18-23-5-2-1-3-6-23)34(20-24-9-13-27(37)14-10-24)32(40)35(36)21-25-11-15-28(38)16-12-25/h1-17,30-31,37-39H,18,20-22H2/t30-,31-/m1/s1
Definition date:2004-05-11
Last modified:2011-06-04
Identifier:3-{[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitrile
P1O
P1O
Name:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C28 H57 N O8 P
SMILES:O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCCCCC
InChi:InChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/p+1/t26-/m1/s1
Definition date:2004-07-27
Last modified:2011-06-04
Identifier:(4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphanonadecan-1-aminium 4-oxide
P1R
P1R
Name:PYRIMIDINE
Formula:C4 H4 N2
SMILES:n1cccnc1
InChi:InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Definition date:2006-05-02
Last modified:2011-06-04
Identifier:pyrimidine
4PC
4PC
Name:3-(2'-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3,7-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE
Formula:C12 H16 N3 O7 P
SMILES:O=C1N=C3C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C=C(N3)C
InChi:InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:2006-04-18
Last modified:2011-06-04
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
4PD
4PD
Name:3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-1,3-DIHYDRO-2H-PYRROLO[2,3-D]PYRIMIDIN-2-ONE
Formula:C12 H16 N3 O7 P
SMILES:O=C2NC1=NC(=CC1=CN2C3OC(C(O)C3)COP(=O)(O)O)C
InChi:InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:2006-04-18
Last modified:2011-06-04
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
4PE
4PE
Name:3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-METHYL-3H-PYRROLO[2,3-D]PYRIMIDIN-2-OL
Formula:C12 H16 N3 O7 P
SMILES:O=P(O)(O)OCC3OC(N2C(=NC1=NC(=CC1=C2)C)O)CC3O
InChi:InChI=1S/C12H16N3O7P/c1-6-2-7-4-15(12(17)14-11(7)13-6)10-3-8(16)9(22-10)5-21-23(18,19)20/h2,4,8-10,16H,3,5H2,1H3,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:2006-04-18
Last modified:2011-06-04
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-2-ol
4PG
4PG
Name:1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
Formula:C15 H15 N3 O
SMILES:O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2
InChi:InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18)
Definition date:2007-08-29
Last modified:2011-06-04
Identifier:1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
P20
P20
Name:2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
Formula:C10 H12 Cl N3 O2 S
SMILES:Clc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N
InChi:InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)/t7-/m1/s1
Definition date:2005-04-27
Last modified:2011-06-04
Identifier:(2R)-2-(5-carbamimidamido-2-chlorophenyl)-3-sulfanylpropanoic acid
4PN
4PN
Name:4-PIPERIDINO-PIPERIDINE
Formula:C10 H20 N2
SMILES:N2CCC(N1CCCCC1)CC2
InChi:InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
Definition date:2001-10-23
Last modified:2011-06-04
Identifier:1,4'-bipiperidine
P26
P26
Name:4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
Formula:C23 H26 O4
SMILES:O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C
InChi:InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)
Definition date:2009-01-21
Last modified:2011-06-04
Identifier:4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
4PP
4PP
Name:(2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID
Formula:C23 H24 N4 O2
SMILES:O=C(O)C(c2cccc(c1cc(C(=[N@H])N)ccc1)c2)CCCNc3ccncc3
InChi:InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-2-(3'-carbamimidoylbiphenyl-3-yl)-5-(pyridin-4-ylamino)pentanoic acid
P27
P27
Name:{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
Formula:C29 H23 F6 N3 O6 P2
SMILES:FC(F)(c1ccc(cc1)CC(c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O
InChi:InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
Definition date:2003-08-19
Last modified:2011-06-04
Identifier:{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)
P29
P29
Name:4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
Formula:C17 H15 N9
SMILES:N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc3ccccc3
InChi:InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
Definition date:2007-05-11
Last modified:2011-06-04
Identifier:4-{[2-(1H-imidazol-5-yl)ethyl]amino}-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
P2A
P2A
Name:1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE
Formula:C7 H13 O8 P
SMILES:O=P(O)(OCC(OC(=O)C)COC(=O)C)O
InChi:InChI=1S/C7H13O8P/c1-5(8)13-3-7(15-6(2)9)4-14-16(10,11)12/h7H,3-4H2,1-2H3,(H2,10,11,12)/t7-/m1/s1
Definition date:2004-06-14
Last modified:2011-06-04
Identifier:(2R)-3-(phosphonooxy)propane-1,2-diyl diacetate
4PY
4PY
Name:(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
Formula:C22 H20 N6 O
SMILES:N2=C(C=C1C=NN=C1C2)c5cc(OCC(N)CC3=C4C=CCC=C4N=C3)cnc5
InChi:InChI=1S/C22H20N6O/c23-17(5-14-9-25-20-4-2-1-3-19(14)20)13-29-18-6-15(8-24-11-18)21-7-16-10-27-28-22(16)12-26-21/h1,3-4,6-11,17H,2,5,12-13,23H2/t17-/m0/s1
Definition date:2007-02-02
Last modified:2011-06-04
Identifier:(2S)-1-(6H-indol-3-yl)-3-{[5-(7H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yl]oxy}propan-2-amine
P2H
P2H
Name:1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
Formula:C13 H16 N O7 P2
SMILES:O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccccc1)c2
InChi:InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)/p+1
Definition date:2009-07-30
Last modified:2011-06-04
Identifier:1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
P2I
P2I
Name:1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL
Formula:C13 H22 O13 P
SMILES:O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)C
InChi:InChI=1S/C13H23O13P/c1-5(14)23-3-7(25-6(2)15)4-24-27(21,22)26-13-11(19)9(17)8(16)10(18)12(13)20/h7-13,16-20H,3-4H2,1-2H3,(H,21,22)/p-1/t7-,8-,9-,10+,11+,12-,13-/m0/s1
Definition date:2004-08-02
Last modified:2011-06-04
Identifier:(2S)-2,3-bis(acetyloxy)propyl (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
P2M
P2M
Name:N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Formula:C16 H14 N2 O2 S
SMILES:O=S(=O)(NCc1ncccc1)c3c2ccccc2ccc3
InChi:InChI=1S/C16H14N2O2S/c19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11,18H,12H2
Definition date:2010-08-03
Last modified:2011-06-04
Identifier:N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
P2T
P2T
Name:2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE
Formula:C13 H21 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O)(O)O
InChi:InChI=1S/C13H21N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-12-17
Last modified:2011-06-04
Identifier:5-methyl-2'-O-propyluridine 5'-(dihydrogen phosphate)
P2U
P2U
Name:2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE
Formula:C9 H13 N2 O8 P
SMILES:O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O
InChi:InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1
Definition date:2000-03-23
Last modified:2011-06-04
Identifier:(1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol
P32
P32
Name:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
Formula:C16 H21 N3 O2
SMILES:N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2
InChi:InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1
Definition date:2008-05-09
Last modified:2011-06-04
Identifier:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
P36
P36
Name:1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
Formula:C19 H16 Br N O2
SMILES:BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3
InChi:InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
Definition date:2009-06-05
Last modified:2011-06-04
Identifier:1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
P41
P41
Name:6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
Formula:C19 H16 F N3 O S
SMILES:Fc1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C
InChi:InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
Definition date:2008-02-04
Last modified:2011-06-04
Identifier:6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
P45
P45
Name:2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
Formula:C19 H14 Cl N7
SMILES:Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c(n3)Nc4ccccc4
InChi:InChI=1S/C19H14ClN7/c20-15-8-6-13(7-9-15)11-22-18-25-17-14(10-21)12-23-27(17)19(26-18)24-16-4-2-1-3-5-16/h1-9,12H,11H2,(H2,22,24,25,26)
Definition date:2007-05-11
Last modified:2011-06-04
Identifier:2-[(4-chlorobenzyl)amino]-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
P47
P47
Name:(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
Formula:C17 H15 Cl O2
SMILES:Clc1ccc(cc1)CCC(c2ccccc2)=CC(=O)O
InChi:InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
Definition date:2009-06-30
Last modified:2011-06-04
Identifier:(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid

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