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WH6

WH6
Name:	2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:	C23 H17 N O6
SMILES:	O=C(O)CC(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
InChi:	InChI=1S/C23H17NO6/c25-20(26)12-16(10-14-6-3-5-13-4-1-2-7-17(13)14)24-21(27)18-9-8-15(23(29)30)11-19(18)22(24)28/h1-9,11,16H,10,12H2,(H,25,26)(H,29,30)/t16-/m1/s1
Definition date:	2007-12-17
Last modified:	2011-06-04
Identifier:	2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

SC
Name:	2-DEOXY-CYTIDINE-5'-THIOPHOSPHORATE
Formula:	C9 H14 N3 O6 P S
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)O
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-thiophosphonocytidine

R56

R56
Name:	5-OXO-6-PHENYLMETHANESULFONYLAMINO-HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID (3-GUANIDINO-PROPYL)-AMIDE
Formula:	C19 H28 N6 O4 S2
SMILES:	O=S(=O)(NC2C(=O)N1C(SCC1C(=O)NCCCNC(=[N@H])N)CC2)Cc3ccccc3
InChi:	InChI=1S/C19H28N6O4S2/c20-19(21)23-10-4-9-22-17(26)15-11-30-16-8-7-14(18(27)25(15)16)24-31(28,29)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,24H,4,7-12H2,(H,22,26)(H4,20,21,23)/t14-,15+,16+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R,6R,8aS)-6-[(benzylsulfonyl)amino]-N-(3-carbamimidamidopropyl)-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

UDS

UDS
Name:	N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE
Formula:	C13 H12 N2 O5
SMILES:	O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO
InChi:	InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1
Definition date:	2010-07-14
Last modified:	2011-06-04
Identifier:	N-[(3-hydroxyquinolin-2-yl)carbonyl]-D-serine

PX2

PX2
Name:	1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C27 H52 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
InChi:	InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate

JDT

JDT
Name:	2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
Formula:	C11 H17 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)CC)CC2O
InChi:	InChI=1S/C11H17N2O8P/c1-2-6-4-13(11(16)12-10(6)15)9-3-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:	2011-04-01
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)

URO

URO
Name:	(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID
Formula:	C6 H6 N2 O2
SMILES:	O=C(O)C=Cc1ncnc1
InChi:	InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
Definition date:	2004-02-05
Last modified:	2011-06-04
Identifier:	(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid

SC4

SC4
Name:	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
Formula:	C21 H17 Cl3 O3
SMILES:	Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl
InChi:	InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,3-dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene

PX4

PX4
Name:	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C36 H73 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
InChi:	InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
Definition date:	2004-07-27
Last modified:	2011-06-04
Identifier:	(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide

RXP

RXP
Name:	1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
Formula:	C39 H43 N4 O6 P
SMILES:	O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCCc5ccccc5
InChi:	InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
Definition date:	2001-01-15
Last modified:	2011-06-04
Identifier:	Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide

C42

C42
Name:	3'-AMINO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H15 N4 O6 P
SMILES:	O=C1N=C(N)C=CN1C2OC(C(N)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H15N4O6P/c10-5-3-8(13-2-1-7(11)12-9(13)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8H,3-4,10H2,(H2,11,12,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	1998-01-28
Last modified:	2011-06-04
Identifier:	3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate)

SC6

SC6
Name:	N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
Formula:	C34 H39 F2 N3 O5
SMILES:	O=C(N1CCCC1COC)c2cc(cc(c2)C)C(=O)NC(Cc3cc(F)cc(F)c3)C(O)C5NCC(Oc4ccccc4)C5
InChi:	InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1
Definition date:	2007-07-26
Last modified:	2011-06-04
Identifier:	N-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide

PX6

PX6
Name:	1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C35 H68 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphate

SC7

SC7
Name:	N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Formula:	C31 H43 F2 N3 O4
SMILES:	O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3
InChi:	InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1
Definition date:	2007-07-26
Last modified:	2011-06-04
Identifier:	N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-[(2R,4S)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

AX1

AX1
Name:	2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C14 H9 N5 O3
SMILES:	N#Cc4c1C(=O)NC(=Nc1nc4c2ccc3OCOc3c2)N
InChi:	InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

OPA

OPA
Name:	2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Formula:	C10 H9 N O6 S
SMILES:	O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2
InChi:	InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
Definition date:	2000-04-18
Last modified:	2011-06-04
Identifier:	2-[(carboxycarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid

URS

URS
Name:	N-PHENYLTHIOUREA
Formula:	C7 H8 N2 S
SMILES:	S=C(Nc1ccccc1)N
InChi:	InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
Definition date:	1999-07-15
Last modified:	2011-06-04
Identifier:	1-phenylthiourea

SC8

SC8
Name:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H13 Cl2 N5
SMILES:	Clc4cccc(c2nc1ccnn1c(c2)NCc3ccncc3)c4Cl
InChi:	InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

PX8

PX8
Name:	1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C39 H76 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(octadecanoyloxy)propyl hydrogen phosphate

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

URT

URT
Name:	({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
Formula:	C10 H11 F N5 O5 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(O)=O)C=C3F
InChi:	InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1
Definition date:	2009-11-24
Last modified:	2011-06-04
Identifier:	[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid

C45

C45
Name:	N4-METHOXY-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C10 H16 N3 O8 P
SMILES:	O=C1N=C(NOC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H16N3O8P/c1-19-12-8-2-3-13(10(15)11-8)9-4-6(14)7(21-9)5-20-22(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:	1993-07-15
Last modified:	2011-06-04
Identifier:	2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)

SC9

SC9
Name:	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
Formula:	C18 H14 F N5
SMILES:	Fc4ccccc4c1nc(c2nccn2c1)NCc3cccnc3
InChi:	InChI=1S/C18H14FN5/c19-15-6-2-1-5-14(15)16-12-24-9-8-21-18(24)17(23-16)22-11-13-4-3-7-20-10-13/h1-10,12H,11H2,(H,22,23)
Definition date:	2007-09-20
Last modified:	2011-06-04
Identifier:	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

XEZ

XEZ
Name:	6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:	C12 H9 N7
SMILES:	n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4
InChi:	InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17)
Definition date:	2010-05-19
Last modified:	2011-06-04
Identifier:	3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

C46

C46
Name:	6H,8H-3,4-DIHYDROPYRIMIDO[4,5-C][1,2]OXAZIN-7-0NE(CYTIDINE)-5'-MONOPHOSPHATE
Formula:	C11 H16 N3 O8 P
SMILES:	O=P(O)(O)OCC3OC(N1C=C2C(=NC1=O)NOCC2)CC3O
InChi:	InChI=1S/C11H16N3O8P/c15-7-3-9(22-8(7)5-21-23(17,18)19)14-4-6-1-2-20-13-10(6)12-11(14)16/h4,7-9,15H,1-3,5H2,(H,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
Definition date:	1999-04-22
Last modified:	2011-06-04
Identifier:	6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4,6-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-7(3H)-one

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