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ABI

ABI
Name:	5-AMIDINO-BENZIMIDAZOLE
Formula:	C8 H9 N4
SMILES:	n2c1ccc(cc1nc2)C(=[NH2+])N
InChi:	InChI=1S/C8H8N4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H3,9,10)(H,11,12)/p+1
Definition date:	1999-07-29
Last modified:	2011-06-04
Identifier:	amino(1H-benzimidazol-6-yl)methaniminium

ABP

ABP
Name:	8-BROMOADENOSINE-5'-DIPHOSPHATE
Formula:	C10 H14 Br N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2c(Br)nc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	8-bromoadenosine 5'-(trihydrogen diphosphate)

ABR

ABR
Name:	(R)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C18 H22 N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O
InChi:	InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13-,14+,15+/m0/s1
Definition date:	2001-10-12
Last modified:	2011-06-04
Identifier:	2'-deoxy-N-[(2R)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)

ABS

ABS
Name:	(S)-(N-PHENYL-2-HYDROXY-ETHYL)-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:	C18 H22 N5 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)NCC(O)c3ccccc3)CC4O
InChi:	InChI=1S/C18H22N5O7P/c24-12-6-15(30-14(12)8-29-31(26,27)28)23-10-22-16-17(20-9-21-18(16)23)19-7-13(25)11-4-2-1-3-5-11/h1-5,9-10,12-15,24-25H,6-8H2,(H,19,20,21)(H2,26,27,28)/t12-,13+,14+,15+/m0/s1
Definition date:	2001-10-12
Last modified:	2011-06-04
Identifier:	2'-deoxy-N-[(2S)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)

ABW

ABW
Name:	5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
Formula:	C14 H23 N O6
SMILES:	O=C(NC(C1OC(C(=O)O)CC1C(=O)OC)CC(C)C)C
InChi:	InChI=1S/C14H23NO6/c1-7(2)5-10(15-8(3)16)12-9(14(19)20-4)6-11(21-12)13(17)18/h7,9-12H,5-6H2,1-4H3,(H,15,16)(H,17,18)/t9-,10+,11-,12-/m1/s1
Definition date:	2004-10-18
Last modified:	2011-06-04
Identifier:	(5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-2,5-anhydro-3,4-dideoxy-4-(methoxycarbonyl)-L-threo-pentonic acid

ABX

ABX
Name:	5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE
Formula:	C14 H24 N2 O5
SMILES:	O=C(NC(C1NC(C(=O)O)CC1C(=O)OC)CC(C)C)C
InChi:	InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
Definition date:	2004-10-18
Last modified:	2011-06-04
Identifier:	(4R,5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)-D-proline

ACJ

ACJ
Name:	5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID
Formula:	C14 H7 Cl F3 N O5
SMILES:	Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F
InChi:	InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
Definition date:	2006-06-12
Last modified:	2011-06-04
Identifier:	5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid

AD2

AD2
Name:	2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O9 P2
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3OP(=O)(O)O
InChi:	InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
Definition date:	2002-03-06
Last modified:	2011-06-04
Identifier:	2'-deoxyadenosine 3',5'-bis(dihydrogen phosphate)

AD3

AD3
Name:	3-DEAZA-ADENOSINE
Formula:	C11 H14 N4 O4
SMILES:	n1c3c(n(c1)C2OC(C(O)C2O)CO)ccnc3N
InChi:	InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
Definition date:	2000-12-18
Last modified:	2011-06-04
Identifier:	1-beta-D-ribofuranosyl-1H-imidazo[4,5-c]pyridin-4-amine

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

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

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

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