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LSG

LSG
Name:	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
Formula:	C16 H17 F I N3 O4
SMILES:	Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C(=O)NOCCO
InChi:	InChI=1S/C16H17FIN3O4/c1-9(23)14-8-11(16(24)20-25-6-5-22)15(21(14)2)19-13-4-3-10(18)7-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,24)
Definition date:	2010-04-08
Last modified:	2011-06-04
Identifier:	5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide

YAK

YAK
Name:	N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
Formula:	C23 H23 F N4 O6 S2
SMILES:	Fc1ccc(cc1)CN4C(=O)C(C3=Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)N3)=C(O)C5CCCC45
InChi:	InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,26,29H,2-4,12H2,1H3,(H,25,27)/t16-,18+/m1/s1
Definition date:	2009-04-17
Last modified:	2011-06-04
Identifier:	N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

XCY

XCY
Name:	{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-2-YL}METHYL DIHYDROGEN PHOSPHATE
Formula:	C17 H23 N4 O7 P
SMILES:	O=C2N=C(NCc1ccc(cc1)CN)C=CN2C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C17H23N4O7P/c18-8-11-1-3-12(4-2-11)9-19-15-5-6-21(17(23)20-15)16-7-13(22)14(28-16)10-27-29(24,25)26/h1-6,13-14,16,22H,7-10,18H2,(H,19,20,23)(H2,24,25,26)/t13-,14+,16+/m0/s1
Definition date:	2005-01-04
Last modified:	2011-06-04
Identifier:	N-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)

ONM

ONM
Name:	3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE
Formula:	C18 H23 N6 O15 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC
InChi:	InChI=1S/C18H23N6O15P3/c1-20-9-5-3-2-4-8(9)17(27)37-13-10(6-35-41(31,32)39-42(33,34)38-40(28,29)30)36-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1
Definition date:	2004-07-08
Last modified:	2011-06-04
Identifier:	3'-O-{[2-(methylamino)phenyl]carbonyl}guanosine 5'-(tetrahydrogen triphosphate)

YAN

YAN
Name:	1,2-DICHLOROBENZENE
Formula:	C6 H4 Cl2
SMILES:	Clc1ccccc1Cl
InChi:	InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
Definition date:	2007-02-12
Last modified:	2011-06-04
Identifier:	1,2-dichlorobenzene

XTL

XTL
Name:	[(1S,4R,6R)-6-HYDROXY-4-(THYMIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H17 N2 O7 P
SMILES:	O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O
InChi:	InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m0/s1
Definition date:	2006-05-19
Last modified:	2011-06-04
Identifier:	[(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate

JCB

JCB
Name:	N-(P-TOLUENESULFONYL)-INDOLE
Formula:	C15 H13 N O2 S
SMILES:	O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3
InChi:	InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
Definition date:	2003-07-17
Last modified:	2011-06-04
Identifier:	1-[(4-methylphenyl)sulfonyl]-1H-indole

T45

T45
Name:	METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE
Formula:	C4 H5 N3 O2
SMILES:	O=C(OC)c1nnnc1
InChi:	InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7)
Definition date:	2007-01-10
Last modified:	2011-06-04
Identifier:	methyl 2H-1,2,3-triazole-4-carboxylate

C2L

C2L
Name:	5-METHYL-3'-O-METHOXYETHYL CYTIDINE 5'-MONOPHOSPHATE
Formula:	C13 H22 N3 O9 P
SMILES:	O=C1N=C(N)C(=CN1C2OC(C(OCCOC)C2O)COP(=O)(O)O)C
InChi:	InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-9(17)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:	2004-10-29
Last modified:	2011-06-04
Identifier:	3'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)

P2H

P2H
Name:	1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
Formula:	C13 H16 N O7 P2
SMILES:	O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccccc1)c2
InChi:	InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)/p+1
Definition date:	2009-07-30
Last modified:	2011-06-04
Identifier:	1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium

ONP

ONP
Name:	O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Formula:	C8 H11 Be F3 N2 O9 P2
SMILES:	O[P](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:	InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-4-2-1-3-7(8)9-5-6-18-21(16,17)19-20(13,14)15
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	trifluoro-[hydroxy-[hydroxy-[2-[(2-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium

P2I

P2I
Name:	1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL
Formula:	C13 H22 O13 P
SMILES:	O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)C
InChi:	InChI=1S/C13H23O13P/c1-5(14)23-3-7(25-6(2)15)4-24-27(21,22)26-13-11(19)9(17)8(16)10(18)12(13)20/h7-13,16-20H,3-4H2,1-2H3,(H,21,22)/p-1/t7-,8-,9-,10+,11+,12-,13-/m0/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2S)-2,3-bis(acetyloxy)propyl (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

SAV

SAV
Name:	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:	C21 H22 N6 O3
SMILES:	O(c1cc(cc(OC)c1OC)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C
InChi:	InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)
Definition date:	2008-03-13
Last modified:	2011-06-04
Identifier:	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

T48

T48
Name:	6'-ALPHA-HYDROXY CARBOCYCLIC THYMIDINE 5'-MONOPHOSPHATE
Formula:	C11 H17 N2 O8 P
SMILES:	O=P(O)(O)OCC2C(O)C(N1C=C(C(=O)NC1=O)C)CC2O
InChi:	InChI=1S/C11H17N2O8P/c1-5-3-13(11(17)12-10(5)16)7-2-8(14)6(9(7)15)4-21-22(18,19)20/h3,6-9,14-15H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+,9+/m1/s1
Definition date:	1996-12-07
Last modified:	2011-06-04
Identifier:	[(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl dihydrogen phosphate

SAW

SAW
Name:	(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:	C31 H45 N3 O4 S
SMILES:	O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)C34CC5CC(O)(C3)CC(C4)C5
InChi:	InChI=1S/C31H45N3O4S/c1-34(2)27-13-9-12-26-25(27)11-10-14-28(26)39(37,38)33-16-8-6-4-3-5-7-15-32-29(35)30-18-23-17-24(19-30)21-31(36,20-23)22-30/h9-14,23-24,33,36H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,30+,31-
Definition date:	2010-08-31
Last modified:	2011-06-04
Identifier:	(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide

XTR

XTR
Name:	[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate
Formula:	C12 H17 N2 O7 P
SMILES:	O=P(O)(O)OCC2C=CC(N1C=C(C(=O)NC1=O)C)CC2O
InChi:	InChI=1S/C12H17N2O7P/c1-7-5-14(12(17)13-11(7)16)9-3-2-8(10(15)4-9)6-21-22(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,13,16,17)(H2,18,19,20)/t8-,9-,10+/m1/s1
Definition date:	2009-01-05
Last modified:	2011-06-04
Identifier:	[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl dihydrogen phosphate

T49

T49
Name:	S4'-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE
Formula:	C10 H15 N2 O7 P S
SMILES:	O=C1NC(=O)N(C=C1C)C2SC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(21-8)4-19-20(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:	1996-06-20
Last modified:	2011-06-04
Identifier:	4'-thiothymidine 5'-(dihydrogen phosphate)

C2P

C2P
Name:	CYTIDINE-2'-MONOPHOSPHATE
Formula:	C9 H14 N3 O8 P
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2OP(=O)(O)O)CO
InChi:	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-cytidylic acid

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

P2M

P2M
Name:	N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
Formula:	C16 H14 N2 O2 S
SMILES:	O=S(=O)(NCc1ncccc1)c3c2ccccc2ccc3
InChi:	InChI=1S/C16H14N2O2S/c19-21(20,18-12-14-8-3-4-11-17-14)16-10-5-7-13-6-1-2-9-15(13)16/h1-11,18H,12H2
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

UCL

UCL
Name:	5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H12 Cl N2 O8 P
SMILES:	ClC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:	2006-09-07
Last modified:	2011-06-04
Identifier:	5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)

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

C2S

C2S
Name:	CYTIDINE-5'-DITHIOPHOSPHORATE
Formula:	C9 H14 N3 O5 P S2
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S
InChi:	InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1
Definition date:	2001-11-02
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(dithiophosphono)]cytidine

NF2

NF2
Name:	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
Formula:	C12 H15 F2 O7 P
SMILES:	O=P(OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O
InChi:	InChI=1S/C12H15F2O7P/c1-5-2-6(8(14)3-7(5)13)12-11(16)10(15)9(21-12)4-20-22(17,18)19/h2-3,9-12,15-16H,4H2,1H3,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
Definition date:	2006-03-07
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-ribitol

UCN

UCN
Name:	7-HYDROXYSTAUROSPORINE
Formula:	C28 H26 N4 O4
SMILES:	O=C5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:	InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
Definition date:	2003-02-11
Last modified:	2011-06-04
Identifier:	(5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

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