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AOA

AOA
Name:	(AMINOOXY)ACETIC ACID
Formula:	C2 H5 N O3
SMILES:	O=C(O)CON
InChi:	InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
Definition date:	2002-06-17
Last modified:	2011-06-04
Identifier:	(aminooxy)acetic acid

AOD

AOD
Name:	5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid
Formula:	C14 H16 Br N O4
SMILES:	O=C(O)c2c(NC1CC(C(=O)O)CCC1)ccc(Br)c2
InChi:	InChI=1S/C14H16BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-10-3-1-2-8(6-10)13(17)18/h4-5,7-8,10,16H,1-3,6H2,(H,17,18)(H,19,20)/t8-,10+/m1/s1
Definition date:	2009-09-16
Last modified:	2011-06-04
Identifier:	5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid

AOE

AOE
Name:	N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE
Formula:	C34 H55 N O3
SMILES:	O=C(N(CCCC)C)CCCCCCCCCCC2Cc1c(ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4
InChi:	InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1
Definition date:	2001-01-08
Last modified:	2011-06-04
Identifier:	N-butyl-11-[(7alpha,9beta,13alpha,14beta,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide

VR1

VR1
Name:	(2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE
Formula:	C24 H19 F N4 O7 S2
SMILES:	O=C(NS(=O)(=O)c1ccc([N+]([O-])=O)cc1)C(NC2=NC(=O)C(S2)=Cc3oc(cc3)CC)c4ccc(F)cc4
InChi:	InChI=1S/C24H19FN4O7S2/c1-2-17-9-10-18(36-17)13-20-22(30)27-24(37-20)26-21(14-3-5-15(25)6-4-14)23(31)28-38(34,35)19-11-7-16(8-12-19)29(32)33/h3-13,21H,2H2,1H3,(H,28,31)(H,26,27,30)/b20-13-/t21-/m0/s1
Definition date:	2006-12-08
Last modified:	2011-06-04
Identifier:	(2S)-2-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)-2-(4-fluorophenyl)-N-[(4-nitrophenyl)sulfonyl]ethanamide

AOL

AOL
Name:	(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-1,2,3,4-TETROL
Formula:	C5 H11 N O4
SMILES:	OC1C(N)C(O)C(O)C1O
InChi:	InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
Definition date:	2006-01-24
Last modified:	2011-06-04
Identifier:	(1R,2R,3S,4S,5r)-5-aminocyclopentane-1,2,3,4-tetrol

AOM

AOM
Name:	5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Formula:	C19 H32 O2
SMILES:	OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4
InChi:	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
Definition date:	2002-04-24
Last modified:	2011-06-04
Identifier:	(3alpha,5beta,8alpha,17beta)-androstane-3,17-diol

AON

AON
Name:	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
Formula:	C19 H32 O2
SMILES:	OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4
InChi:	InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
Definition date:	2002-04-24
Last modified:	2011-06-04
Identifier:	(3beta,5beta,17beta)-androstane-3,17-diol

VRA

VRA
Name:	N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide
Formula:	C19 H20 F3 I N2 O5 S
SMILES:	O=S(=O)(Nc2c(Nc1ccc(I)cc1F)c(F)c(F)cc2OC)C3(CC(O)CO)CC3
InChi:	InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
Definition date:	2008-09-18
Last modified:	2011-06-04
Identifier:	N-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-methoxyphenyl}-1-[(2S)-2,3-dihydroxypropyl]cyclopropanesulfonamide

AOR

AOR
Name:	N~2~-ACETYL-L-ORNITHINE
Formula:	C7 H14 N2 O3
SMILES:	O=C(NC(C(=O)O)CCCN)C
InChi:	InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
Definition date:	2005-06-08
Last modified:	2011-06-04
Identifier:	N~2~-acetyl-L-ornithine

AP
Name:	N-1-AMINOPYRENE
Formula:	C16 H11 N
SMILES:	c4cc2ccc1ccc(N)c3c1c2c(cc3)c4
InChi:	InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	pyren-1-amine

AP1

AP1
Name:	{3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID
Formula:	C38 H47 N O11
SMILES:	O=C(N3C(C(=O)OC(c1cccc(OCC(=O)O)c1)CCc2ccc(OC)c(OC)c2)CCCC3)C(c4cc(OC)c(OC)c(OC)c4)CC
InChi:	InChI=1S/C38H47NO11/c1-7-28(26-21-33(46-4)36(48-6)34(22-26)47-5)37(42)39-18-9-8-13-29(39)38(43)50-30(25-11-10-12-27(20-25)49-23-35(40)41)16-14-24-15-17-31(44-2)32(19-24)45-3/h10-12,15,17,19-22,28-30H,7-9,13-14,16,18,23H2,1-6H3,(H,40,41)/t28-,29-,30+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid

AP2

AP2
Name:	PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Formula:	C11 H17 N5 O9 P2
SMILES:	O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]adenosine

AP5

AP5
Name:	BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Formula:	C20 H29 N10 O22 P5
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

AP6

AP6
Name:	2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE
Formula:	C12 H14 N6
SMILES:	n3c(nc2c(NC(c1ccccc1)CN2)c3N)N
InChi:	InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1
Definition date:	1999-12-16
Last modified:	2011-06-04
Identifier:	(6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine

VRV

VRV
Name:	6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Formula:	C18 H11 Br N2 O2
SMILES:	N#CC2=C(C=C(c1cc(Br)ccc1O)NC2=O)c3ccccc3
InChi:	InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
Definition date:	2006-12-20
Last modified:	2011-06-04
Identifier:	6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile

AP7

AP7
Name:	N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H15 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(N)[nH+]cnc12)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	2004-08-10
Last modified:	2011-06-04
Identifier:	5'-adenylic acid

VRX

VRX
Name:	(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
Formula:	C18 H15 F N2 O4 S
SMILES:	O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3
InChi:	InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1
Definition date:	2006-08-02
Last modified:	2011-06-04
Identifier:	(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid

APE

APE
Name:	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID
Formula:	C9 H12 N2 O2
SMILES:	O=C(O)NC(N)Cc1ccccc1
InChi:	InChI=1S/C9H12N2O2/c10-8(11-9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(1R)-1-amino-2-phenylethyl]carbamic acid

APJ

APJ
Name:	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
Formula:	C17 H16 N8
SMILES:	n2c1cc(ccc1nc2)Nc5nc(Nc3cc(nn3)C4CC4)ccn5
InChi:	InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
Definition date:	2008-12-02
Last modified:	2011-06-04
Identifier:	N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

APL

APL
Name:	N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE
Formula:	C12 H14 F3 N O3
SMILES:	FC(F)(F)C(O)(O)C(NC(=O)C)Cc1ccccc1
InChi:	InChI=1S/C12H14F3NO3/c1-8(17)16-10(11(18,19)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10,18-19H,7H2,1H3,(H,16,17)/t10-/m0/s1
Definition date:	2000-08-29
Last modified:	2011-06-04
Identifier:	N-[(1S)-1-benzyl-3,3,3-trifluoro-2,2-dihydroxypropyl]acetamide

APM

APM
Name:	M-AMIDINOPHENYL-3-ALANINE
Formula:	C10 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1cc(ccc1)C(=[N@H])N
InChi:	InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-carbamimidoyl-L-phenylalanine

APO

APO
Name:	D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
Formula:	C3 H8 N O5 P
SMILES:	O=C(O)C(N)CP(=O)(O)O
InChi:	InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
Definition date:	2002-03-27
Last modified:	2011-06-04
Identifier:	3-phosphono-D-alanine

APP

APP
Name:	1-ACETYL-2-CARBOXYPIPERIDINE
Formula:	C8 H13 N O3
SMILES:	O=C(N1C(C(=O)O)CCCC1)C
InChi:	InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-1-acetylpiperidine-2-carboxylic acid

IDZ

IDZ
Name:	3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
Formula:	C14 H10 N4
SMILES:	n2c(c1ccccc1n2)c3nc4ccccc4n3
InChi:	InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
Definition date:	2005-10-10
Last modified:	2011-06-04
Identifier:	3-(1H-benzimidazol-2-yl)-1H-indazole

APQ

APQ
Name:	2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE
Formula:	C12 H16 N4 O S
SMILES:	O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCC
InChi:	InChI=1S/C12H16N4OS/c1-2-3-18-6-7-4-8(13)5-9-10(7)15-12(14)16-11(9)17/h4-5H,2-3,6,13H2,1H3,(H3,14,15,16,17)
Definition date:	2001-10-16
Last modified:	2011-06-04
Identifier:	2,6-diamino-8-[(propylsulfanyl)methyl]quinazolin-4(3H)-one

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