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H4P

H4P
Name:	1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL
Formula:	C7 H19 N O11 P2
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O
InChi:	InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1
Definition date:	2003-05-19
Last modified:	2011-06-04
Identifier:	1-deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-mannitol

H4Z

H4Z
Name:	5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL
Formula:	C31 H45 N6 O17 P
SMILES:	O=C2NC(=NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N
InChi:	InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17?,18?,19?,20?,22+,24?,25?,26?,30?/m1/s1
Definition date:	2006-02-10
Last modified:	2011-06-04
Identifier:	1-[4-({(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol

H52

H52
Name:	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
Formula:	C16 H21 N3 O2 S
SMILES:	O=S(=O)(c2c1c(cncc1ccc2)C)N3C(CNCCC3)C
InChi:	InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
Definition date:	2003-08-26
Last modified:	2011-06-04
Identifier:	4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline

AD9

AD9
Name:	ADP METAVANADATE
Formula:	C10 H16 N5 O13 P2 V
SMILES:	O=[V](O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O10P2.2H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20
Definition date:	2008-03-25
Last modified:	2011-06-04
Identifier:	(adenosinato)(dihydroxy)oxovanadium

ADB

ADB
Name:	4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Formula:	C16 H10 Cl2 N6 O
SMILES:	N#Cc1ccc(cc1)Nc3nc(nc(Oc2c(Cl)cccc2Cl)n3)N
InChi:	InChI=1S/C16H10Cl2N6O/c17-11-2-1-3-12(18)13(11)25-16-23-14(20)22-15(24-16)21-10-6-4-9(8-19)5-7-10/h1-7H,(H3,20,21,22,23,24)
Definition date:	2001-12-06
Last modified:	2011-06-04
Identifier:	4-{[4-amino-6-(2,6-dichlorophenoxy)-1,3,5-triazin-2-yl]amino}benzonitrile

ADC

ADC
Name:	(1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE
Formula:	C10 H11 N5 O2
SMILES:	n1c(c2ncn(c2nc1)C3C=CC(O)C3O)N
InChi:	InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S,2S,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol

ADE

ADE
Name:	ADENINE
Formula:	C5 H5 N5
SMILES:	n1c(c2ncnc2nc1)N
InChi:	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	9H-purin-6-amine

ADH

ADH
Name:	1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE
Formula:	C7 H13 N O3
SMILES:	OC1CC(=CC(N)C1O)CO
InChi:	InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1
Definition date:	2001-11-30
Last modified:	2011-06-04
Identifier:	(1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol

ADI

ADI
Name:	2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O8 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
InChi:	InChI=1S/C10H15N5O8P2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(22-7)3-21-25(19,20)23-24(16,17)18/h4-7H,1-3H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
Definition date:	2001-09-26
Last modified:	2011-06-04
Identifier:	[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate

ADM

ADM
Name:	ADAMANTANE
Formula:	C10 H16
SMILES:	C1C2CC3CC1CC(C2)C3
InChi:	InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	tricyclo[3.3.1.1~3,7~]decane

ADN

ADN
Name:	ADENOSINE
Formula:	C10 H13 N5 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	adenosine

ADO

ADO
Name:	ADAMANTANONE
Formula:	C10 H14 O
SMILES:	O=C1C2CC3CC1CC(C2)C3
InChi:	InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1r,3r,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-2-one

ADP

ADP
Name:	ADENOSINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	adenosine 5'-(trihydrogen diphosphate)

ADS

ADS
Name:	ADENOSINE-5'-(DITHIO)PHOSPHATE
Formula:	C10 H14 N5 O5 P S2
SMILES:	O=P(S)(S)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O5PS2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(20-10)1-19-21(18,22)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,22,23)/t4-,6-,7?,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-O-[(dithiophosphono)]adenosine

ADW

ADW
Name:	ADENOSINE-5'-DITUNGSTATE
Formula:	C10 H15 N5 O10 W2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(=O)O[W](O)(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C10H12N5O4.3H2O.3O.2W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10
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-oxo-tungstenio]oxy-dihydroxy-oxo-tungsten

ADX

ADX
Name:	ADENOSINE-5'-PHOSPHOSULFATE
Formula:	C10 H14 N5 O10 P S
SMILES:	O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
Definition date:	2000-11-27
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-hydroxy(sulfooxy)phosphoryl]adenosine

ADY

ADY
Name:	3'-OXO-ADENOSINE
Formula:	C10 H11 N5 O4
SMILES:	O=C3C(OC(n2cnc1c(ncnc12)N)C3O)CO
InChi:	InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m1/s1
Definition date:	2002-02-13
Last modified:	2011-06-04
Identifier:	9-beta-D-erythro-pentofuranosyl-3-ulose-9H-purin-6-amine

AE1

AE1
Name:	2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](DIHYDROXY)PHOSPHORANYL]METHYL}-4-METHYLPENTANOIC ACID
Formula:	C10 H20 N O6 P
SMILES:	O=P(O)(CC(C(=O)O)CC(C)C)C(N)CC(=O)O
InChi:	InChI=1S/C10H20NO6P/c1-6(2)3-7(10(14)15)5-18(16,17)8(11)4-9(12)13/h6-8H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,8-/m1/s1
Definition date:	2003-06-19
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(S)-[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid

AEF

AEF
Name:	4-(2-aminoethyl)phenol
Formula:	C8 H11 N O
SMILES:	Oc1ccc(cc1)CCN
InChi:	InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
Definition date:	2007-12-26
Last modified:	2011-06-04
Identifier:	4-(2-aminoethyl)phenol

AEM

AEM
Name:	2-AMINOETHANIMIDIC ACID
Formula:	C2 H6 N2
SMILES:	[N@H]=CCN
InChi:	InChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2/b3-1+
Definition date:	2001-09-25
Last modified:	2011-06-04
Identifier:	(2E)-2-iminoethanamine

AEP

AEP
Name:	3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID
Formula:	C7 H14 N O6 P
SMILES:	O=P(O)(CC(C(=O)O)C)C(N)CC(=O)O
InChi:	InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1
Definition date:	2002-04-23
Last modified:	2011-06-04
Identifier:	(2S)-3-{[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid

AF
Name:	2-AMINOFLUORENE
Formula:	C13 H11 N
SMILES:	c1cccc3c1c2c(cc(N)cc2)C3
InChi:	InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	9H-fluoren-2-amine

AF2

AF2
Name:	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
Formula:	C10 H13 F N5 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O
InChi:	InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1
Definition date:	2010-04-20
Last modified:	2011-06-04
Identifier:	2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)

AFF

AFF
Name:	2-ACETYLAMINOFLUORENE-3-YL
Formula:	C15 H13 N O
SMILES:	O=C(Nc3ccc2c1ccccc1Cc2c3)C
InChi:	InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
Definition date:	2006-03-27
Last modified:	2011-06-04
Identifier:	N-9H-fluoren-2-ylacetamide

AFI

AFI
Name:	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
Formula:	C22 H19 Cl O3
SMILES:	O=C3c4ccccc4C(O)=C(O)C3=C2/CCC(c1ccc(Cl)cc1)CC2
InChi:	InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,25-26H,5-8H2/t13-
Definition date:	2004-01-06
Last modified:	2011-06-04
Identifier:	(2E)-2-[(4S)-4-(4-chlorophenyl)cyclohexylidene]-3,4-dihydroxynaphthalen-1(2H)-one

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