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T4A

T4A
Name:	3,3',5,5'-TETRAIODOTHYROACETIC ACID
Formula:	C14 H8 I4 O4
SMILES:	Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O
InChi:	InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
Definition date:	2001-11-27
Last modified:	2011-06-04
Identifier:	[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid

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

T4B

T4B
Name:	((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID
Formula:	C31 H26 N2 O3
SMILES:	O=C(O)COc5cccc(c1ccccc1n2nc(c(c2CC)c3ccccc3)c4ccccc4)c5
InChi:	InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
Definition date:	2006-11-06
Last modified:	2011-06-04
Identifier:	{[2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)biphenyl-3-yl]oxy}acetic acid

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

T4K

T4K
Name:	(2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Formula:	C24 H35 N4 O19 P3
SMILES:	O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O
InChi:	InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18-,20+,21-,23-/m1/s1
Definition date:	2007-05-03
Last modified:	2011-06-04
Identifier:	(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

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

T4P

T4P
Name:	3-{2,6,8-TRIOXO-9-[(2R,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
Formula:	C13 H21 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7-,9-/m1/s1
Definition date:	2004-06-18
Last modified:	2011-06-04
Identifier:	5-deoxy-5-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol

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

T4S

T4S
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-HYDROSELENO-5-METHYLPYRIMIDIN-2(1H)-ONE
Formula:	C10 H15 N2 O7 P Se
SMILES:	O=C1N=C([SeH])C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C
InChi:	InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(14)11-9(5)21)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1
Definition date:	2006-11-06
Last modified:	2011-06-04
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-4-selanylpyrimidin-2(1H)-one

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

T5P

T5P
Name:	3-{2,6,8-TRIOXO-9-[(2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}PROPYL DIHYDROGEN PHOSPHATE
Formula:	C13 H21 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C13H21N4O11P/c18-5-7(20)9(21)6(19)4-17-10-8(11(22)15-12(23)14-10)16(13(17)24)2-1-3-28-29(25,26)27/h6-7,9,18-21H,1-5H2,(H2,25,26,27)(H2,14,15,22,23)/t6-,7+,9-/m0/s1
Definition date:	2004-06-18
Last modified:	2011-06-04
Identifier:	1-deoxy-1-{2,6,8-trioxo-7-[3-(phosphonooxy)propyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-ribitol

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)

T5S

T5S
Name:	2'-deoxy-5-(methylselanyl)uridine 5'-phosphate
Formula:	C10 H15 N2 O8 P Se
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C([Se]C)=C1)CC2O
InChi:	InChI=1S/C10H15N2O8PSe/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1
Definition date:	2007-12-27
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-(methylselanyl)uridine 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

AFX

AFX
Name:	(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
Formula:	C11 H10 F N5 O3
SMILES:	FC1=C(C(=O)C(O)C1n2c3ncnc(c3nc2)N)CO
InChi:	InChI=1S/C11H10FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7,9,18,20H,1H2,(H2,13,14,15)/t7-,9+/m1/s1
Definition date:	2010-06-29
Last modified:	2011-06-04
Identifier:	(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one

AFZ

AFZ
Name:	2,4-BIS(4-AMIDINOPHENYL)FURAN
Formula:	C18 H16 N4 O
SMILES:	[N@H]=C(N)c3ccc(c2occ(c1ccc(C(=[N@H])N)cc1)c2)cc3
InChi:	InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-16(23-10-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
Definition date:	2006-05-09
Last modified:	2011-06-04
Identifier:	4,4'-furan-2,4-diyldibenzenecarboximidamide

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