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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

TRR

TRR
Name:	2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM
Formula:	C14 H19 N4 O3
SMILES:	O(c1cc(cc(OC)c1OC)Cc2c(nc(N)[nH+]c2)N)C
InChi:	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1
Definition date:	2002-05-27
Last modified:	2011-06-04
Identifier:	2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium

ADZ

ADZ
Name:	9-METHYL-9H-PURIN-6-AMINE
Formula:	C6 H7 N5
SMILES:	n1c(c2ncn(c2nc1)C)N
InChi:	InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
Definition date:	2002-12-19
Last modified:	2011-06-04
Identifier:	9-methyl-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

TRU

TRU
Name:	6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
Formula:	C8 H8 Cl3 N3 O4 S2
SMILES:	O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N
InChi:	InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1
Definition date:	2005-09-13
Last modified:	2011-06-04
Identifier:	(3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

AE2

AE2
Name:	AETIOCHOLANOLONE
Formula:	C19 H30 O2
SMILES:	O=C3CCC4C2C(C1(CCC(O)CC1CC2)C)CCC34C
InChi:	InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3alpha,5beta,8alpha)-3-hydroxyandrostan-17-one

AE3

AE3
Name:	2-(2-ETHOXYETHOXY)ETHANOL
Formula:	C6 H14 O3
SMILES:	OCCOCCOCC
InChi:	InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
Definition date:	2005-09-29
Last modified:	2011-06-04
Identifier:	2-(2-ethoxyethoxy)ethanol

AE4

AE4
Name:	3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
Formula:	C12 H26 O6
SMILES:	O(CCO)CCOCCOCCOCCOCC
InChi:	InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3
Definition date:	2005-09-29
Last modified:	2011-06-04
Identifier:	3,6,9,12,15-pentaoxaheptadecan-1-ol

TRY

TRY
Name:	(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
Formula:	C11 H10 N2 O2
SMILES:	O=C(O)/C(N)=C/c2c1ccccc1nc2
InChi:	InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)/b9-5-
Definition date:	2011-03-25
Last modified:	2011-06-04
Identifier:	(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid

TRZ

TRZ
Name:	TRAZEOLIDE
Formula:	C20 H28 O3
SMILES:	O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C
InChi:	InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1
Definition date:	1999-10-07
Last modified:	2011-06-04
Identifier:	4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid

TS0

TS0
Name:	4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE
Formula:	C14 H23 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8+,10+/m0/s1
Definition date:	2004-07-01
Last modified:	2011-06-04
Identifier:	1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-xylitol

TS1

TS1
Name:	4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE
Formula:	C14 H23 N4 O11 P
SMILES:	O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C14H23N4O11P/c19-6-8(21)10(22)7(20)5-18-11-9(12(23)16-13(24)15-11)17(14(18)25)3-1-2-4-29-30(26,27)28/h7-8,10,19-22H,1-6H2,(H2,26,27,28)(H2,15,16,23,24)/t7-,8-,10+/m1/s1
Definition date:	2004-07-01
Last modified:	2011-06-04
Identifier:	1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol

AED

AED
Name:	4-(2-aminoethyl)-2-cyclohexylphenol
Formula:	C14 H21 N O
SMILES:	Oc1ccc(cc1C2CCCCC2)CCN
InChi:	InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2
Definition date:	2008-01-07
Last modified:	2011-06-04
Identifier:	4-(2-aminoethyl)-2-cyclohexylphenol

AEE

AEE
Name:	6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Formula:	C27 H32 N6
SMILES:	n2c(NC(c1ccccc1)C)c3cc(nc3nc2)c4ccc(cc4)CN5CCN(CC)CC5
InChi:	InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
Definition date:	2006-05-25
Last modified:	2011-06-04
Identifier:	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

TS4

TS4
Name:	GLUTATHIONYLSPERMIDINE DISULFIDE
Formula:	C34 H66 N12 O10 S2
SMILES:	O=C(NC(C(=O)NCC(=O)NCCCNCCCCN)CSSCC(C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:	InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(14R,19R,24R)-1,24-diamino-19-{[2-({3-[(4-aminobutyl)amino]propyl}amino)-2-oxoethyl]carbamoyl}-14-{[(4R)-4-amino-4-carboxybutanoyl]amino}-10,13,21-trioxo-16,17-dithia-5,9,12,20-tetraazapentacosan-25-oic acid (non-preferred name)

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

AEG

AEG
Name:	4-[(2R)-2-aminopropyl]phenol
Formula:	C9 H13 N O
SMILES:	Oc1ccc(cc1)CC(N)C
InChi:	InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
Definition date:	2008-01-07
Last modified:	2011-06-04
Identifier:	4-[(2R)-2-aminopropyl]phenol

AEH

AEH
Name:	4-(2-aminoethyl)-2-ethylphenol
Formula:	C10 H15 N O
SMILES:	Oc1ccc(cc1CC)CCN
InChi:	InChI=1S/C10H15NO/c1-2-9-7-8(5-6-11)3-4-10(9)12/h3-4,7,12H,2,5-6,11H2,1H3
Definition date:	2008-01-07
Last modified:	2011-06-04
Identifier:	4-(2-aminoethyl)-2-ethylphenol

TSA

TSA
Name:	8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
Formula:	C10 H12 O6
SMILES:	O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2
InChi:	InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1R,3S,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid

TSB

TSB
Name:	5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE
Formula:	C14 H21 N7 O8 S
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(O)C
InChi:	InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,9-,10-,14-/m1/s1
Definition date:	2000-04-24
Last modified:	2011-06-04
Identifier:	5'-O-(L-threonylsulfamoyl)adenosine

TSC

TSC
Name:	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL
Formula:	C10 H12 N2 O
SMILES:	OC(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1
Definition date:	2005-08-09
Last modified:	2011-06-04
Identifier:	(1S)-1-amino-2-(1H-indol-3-yl)ethanol

TSE

TSE
Name:	THIOPHOSPHONOACETIC ACID
Formula:	C2 H5 O4 P S
SMILES:	O=C(O)CP(=S)(O)O
InChi:	InChI=1S/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)
Definition date:	2005-01-14
Last modified:	2011-06-04
Identifier:	thiophosphonoacetic acid

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

TSF

TSF
Name:	3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE
Formula:	C15 H23 F2 N4 O10 P
SMILES:	FC(F)(P(=O)(O)O)CCCCN2C=1C(=O)NC(=O)NC=1N(C2=O)CC(O)C(O)C(O)CO
InChi:	InChI=1S/C15H23F2N4O10P/c16-15(17,32(29,30)31)3-1-2-4-20-9-11(18-13(27)19-12(9)26)21(14(20)28)5-7(23)10(25)8(24)6-22/h7-8,10,22-25H,1-6H2,(H2,29,30,31)(H2,18,19,26,27)/t7-,8-,10+/m1/s1
Definition date:	2005-12-09
Last modified:	2011-06-04
Identifier:	1-deoxy-1-[7-(5,5-difluoro-5-phosphonopentyl)-2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl]-D-arabinitol

TSH

TSH
Name:	2-(1H-INDOL-3-YL)ETHANIMINE
Formula:	C10 H10 N2
SMILES:	[N@H]=CCc2c1ccccc1nc2
InChi:	InChI=1S/C10H10N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7,11-12H,5H2/b11-6-
Definition date:	2005-08-09
Last modified:	2011-06-04
Identifier:	(1Z)-2-(1H-indol-3-yl)ethanimine

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