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5FE

5FE
Name:	5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER
Formula:	C29 H47 F6 N5 O9
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(C(F)(F)F)C(O)CC(=O)NC(C(=O)NC(C(O)CC(=O)OC)C(F)(F)F)C)C(C)C)C(C)C)CC(C)C
InChi:	InChI=1S/C29H47F6N5O9/c1-12(2)9-18(43)37-21(13(3)4)26(47)38-22(14(5)6)27(48)40-23(28(30,31)32)16(41)10-19(44)36-15(7)25(46)39-24(29(33,34)35)17(42)11-20(45)49-8/h12-17,21-24,41-42H,9-11H2,1-8H3,(H,36,44)(H,37,43)(H,38,47)(H,39,46)(H,40,48)/t15-,16-,17-,21-,22-,23+,24+/m0/s1
Definition date:	2004-09-16
Last modified:	2011-06-04
Identifier:	methyl (6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oate (non-preferred name)

5FH

5FH
Name:	(5S)-5-benzylimidazolidine-2,4-dione
Formula:	C10 H10 N2 O2
SMILES:	O=C1NC(C(=O)N1)Cc2ccccc2
InChi:	InChI=1S/C10H10N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m0/s1
Definition date:	2008-09-12
Last modified:	2011-06-04
Identifier:	(5S)-5-benzylimidazolidine-2,4-dione

5FN

5FN
Name:	(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
Formula:	C8 H12 F N O5
SMILES:	FC1(OC2OC(=NC2C(O)C1O)C)CO
InChi:	InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1
Definition date:	2009-11-30
Last modified:	2011-06-04
Identifier:	(3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol

5FP

5FP
Name:	5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID
Formula:	C28 H45 F6 N5 O9
SMILES:	O=C(NC(C(O)CC(=O)O)C(F)(F)F)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(F)(F)F)C
InChi:	InChI=1S/C28H45F6N5O9/c1-11(2)8-17(42)36-20(12(3)4)25(47)37-21(13(5)6)26(48)39-22(27(29,30)31)15(40)9-18(43)35-14(7)24(46)38-23(28(32,33)34)16(41)10-19(44)45/h11-16,20-23,40-41H,8-10H2,1-7H3,(H,35,43)(H,36,42)(H,37,47)(H,38,46)(H,39,48)(H,44,45)/t14-,15-,16-,20-,21-,22+,23+/m0/s1
Definition date:	2004-09-16
Last modified:	2011-06-04
Identifier:	(6S,9S,12R,13S,17S,20R,21S)-13,21-dihydroxy-2,17-dimethyl-4,7,10,15,18-pentaoxo-6,9-di(propan-2-yl)-12,20-bis(trifluoromethyl)-5,8,11,16,19-pentaazatricosan-23-oic acid (non-preferred name)

O73

O73
Name:	5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione
Formula:	C21 H24 N4 O5
SMILES:	[O-][N+](=O)c3ccc(OCc1c(n(c2c1C(=O)C(=CC2=O)NCCCCN)C)C)cc3
InChi:	InChI=1S/C21H24N4O5/c1-13-16(12-30-15-7-5-14(6-8-15)25(28)29)19-20(24(13)2)18(26)11-17(21(19)27)23-10-4-3-9-22/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3
Definition date:	2010-08-06
Last modified:	2011-06-04
Identifier:	5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione

5FU

5FU
Name:	5-FLUORO-URIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 F N2 O9 P
SMILES:	FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:	2007-02-02
Last modified:	2011-06-04
Identifier:	5-fluorouridine 5'-(dihydrogen phosphate)

5GP

5GP
Name:	GUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-guanylic acid

5H
Name:	5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE
Formula:	C16 H13 Br N2 O3 S3
SMILES:	O=S(=O)(NN1C(=O)C(SC1=S)Cc2ccc(Br)cc2)c3ccccc3
InChi:	InChI=1S/C16H13BrN2O3S3/c17-12-8-6-11(7-9-12)10-14-15(20)19(16(23)24-14)18-25(21,22)13-4-2-1-3-5-13/h1-9,14,18H,10H2/t14-/m1/s1
Definition date:	2005-09-22
Last modified:	2011-06-04
Identifier:	N-[(5R)-5-(4-bromobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide

O8H

O8H
Name:	4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
Formula:	C22 H22 I N7 O4 S2
SMILES:	Ic1ccc(cc1)S(=O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c4sccc4)CC5
InChi:	InChI=1S/C22H22IN7O4S2/c23-16-3-5-18(6-4-16)36(32,33)24-12-17-13-30(28-26-17)14-20(31)29-9-7-15(8-10-29)22-25-21(27-34-22)19-2-1-11-35-19/h1-6,11,13,15,24H,7-10,12,14H2
Definition date:	2010-08-05
Last modified:	2011-06-04
Identifier:	4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide

O8K

O8K
Name:	(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
Formula:	C17 H28 O3
SMILES:	O=C1CCCCC=CC(OC)C(O)C(C=C(CC1)C)C
InChi:	InChI=1S/C17H28O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h7,9,12,14,16-17,19H,4-6,8,10-11H2,1-3H3/b9-7+,13-12-/t14-,16+,17+/m1/s1
Definition date:	2010-08-12
Last modified:	2011-06-04
Identifier:	(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one

5HD

5HD
Name:	5-(2-hydroxyethyl)nonane-1,9-diol
Formula:	C11 H24 O3
SMILES:	OCCCCC(CCO)CCCCO
InChi:	InChI=1S/C11H24O3/c12-8-3-1-5-11(7-10-14)6-2-4-9-13/h11-14H,1-10H2
Definition date:	2008-07-24
Last modified:	2011-06-04
Identifier:	5-(2-hydroxyethyl)nonane-1,9-diol

5HI

5HI
Name:	(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
Formula:	C28 H34 F N3 O6
SMILES:	O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NC(c3ccccc3)CO)C(C)C
InChi:	InChI=1S/C28H34FN3O6/c1-17(2)26-25(28(38)30-23(16-33)18-6-4-3-5-7-18)31-27(19-8-10-20(29)11-9-19)32(26)13-12-21(34)14-22(35)15-24(36)37/h3-11,17,21-23,33-35H,12-16H2,1-2H3,(H,30,38)(H,36,37)/t21-,22-,23-/m1/s1
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid

OA1

OA1
Name:	(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE
Formula:	C10 H7 Br N2 O2
SMILES:	O=C(c1cccc(Br)c1)c2oc(nc2)N
InChi:	InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	(2-amino-1,3-oxazol-5-yl)(3-bromophenyl)methanone

OA2

OA2
Name:	2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE
Formula:	C18 H17 N3 O2
SMILES:	O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N
InChi:	InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide

OA5

OA5
Name:	6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
Formula:	C11 H13 N5 O2
SMILES:	O(c1nc(nc(n1)N)N)CCOc2ccccc2
InChi:	InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16)
Definition date:	2008-12-18
Last modified:	2011-06-04
Identifier:	6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine

OAG

OAG
Name:	6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine
Formula:	C14 H12 Cl2 N6
SMILES:	Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
InChi:	InChI=1S/C14H12Cl2N6/c15-8-1-2-10(16)11(4-8)19-5-7-3-9-12(17)21-14(18)22-13(9)20-6-7/h1-4,6,19H,5H2,(H4,17,18,20,21,22)
Definition date:	2010-01-08
Last modified:	2011-06-04
Identifier:	6-[[(2,5-dichlorophenyl)amino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

OAH

OAH
Name:	9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine
Formula:	C10 H14 N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,7+/m1/s1
Definition date:	2011-03-03
Last modified:	2011-06-04
Identifier:	9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine

OAI

OAI
Name:	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID
Formula:	C11 H8 N2 O5
SMILES:	O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O
InChi:	InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
Definition date:	2000-04-17
Last modified:	2011-06-04
Identifier:	6-[(carboxycarbonyl)amino]-1H-indole-5-carboxylic acid

OBA

OBA
Name:	2-(OXALYL-AMINO)-BENZOIC ACID
Formula:	C9 H7 N O5
SMILES:	O=C(Nc1ccccc1C(=O)O)C(=O)O
InChi:	InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
Definition date:	2000-04-18
Last modified:	2011-06-04
Identifier:	2-[(carboxycarbonyl)amino]benzoic acid

OBI

OBI
Name:	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME
Formula:	C14 H16 N4 O3
SMILES:	ON=Cc1cc[n+](cc1)COC[n+]2ccc(C=NO)cc2
InChi:	InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2
Definition date:	2006-05-15
Last modified:	2011-06-04
Identifier:	1,1'-(oxydimethanediyl)bis{4-[(E)-(hydroxyimino)methyl]pyridinium}

OBN

OBN
Name:	OUABAIN
Formula:	C29 H44 O12
SMILES:	O=C1OCC(=C1)C4CCC5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC(O)C6(CO)C3C(O)CC45C
InChi:	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1alpha,3beta,5beta,11alpha,17alpha)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

OBZ

OBZ
Name:	O-benzylhydroxylamine
Formula:	C7 H9 N O
SMILES:	[(aminooxy)methyl]benzene
InChi:	InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Definition date:	2008-07-23
Last modified:	2011-06-04
Identifier:	O-benzylhydroxylamine

A04

A04
Name:	5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID
Formula:	C12 H7 F3 O4
SMILES:	O=C(O)c2oc(c1c(OC(F)(F)F)cccc1)cc2
InChi:	InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17)
Definition date:	2007-06-26
Last modified:	2011-06-04
Identifier:	5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid

A05

A05
Name:	5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID
Formula:	C11 H6 Cl N O5
SMILES:	O=C(O)c2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
InChi:	InChI=1S/C11H6ClNO5/c12-8-5-6(13(16)17)1-2-7(8)9-3-4-10(18-9)11(14)15/h1-5H,(H,14,15)
Definition date:	2007-06-26
Last modified:	2011-06-04
Identifier:	5-(2-chloro-4-nitrophenyl)furan-2-carboxylic acid

ODP

ODP
Name:	4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE
Formula:	C21 H29 N7 O18 P3
SMILES:	NC(=O)[CH]1C=[N+](C=CC1=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-1-9(29)8(3-27)18(23)33/h1-3,6-8,10-11,13-16,20-21,30-32H,4-5H2,(H7-,22,23,24,25,33,34,35,36,37,38,39,40)/p+1/t8-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1
Definition date:	2002-05-17
Last modified:	2011-06-04
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4-oxo-3H-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

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