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LS5

LS5
Name:	3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Formula:	C16 H15 N5 O3 S
SMILES:	O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
InChi:	InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
Definition date:	2001-11-21
Last modified:	2011-06-04
Identifier:	N-carbamimidoyl-4-{[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide

SAF

SAF
Name:	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
Formula:	C10 H15 N O
SMILES:	Oc1cc(ccc1)C(N(C)C)C
InChi:	InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
Definition date:	2001-12-04
Last modified:	2011-06-04
Identifier:	3-[(1S)-1-(dimethylamino)ethyl]phenol

T3S

T3S
Name:	5'-deoxy-5'-piperidin-1-ylthymidine
Formula:	C15 H23 N3 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCCC3
InChi:	InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/t11-,12+,13+/m0/s1
Definition date:	2008-05-28
Last modified:	2011-06-04
Identifier:	5'-deoxy-5'-piperidin-1-ylthymidine

WFE

WFE
Name:	N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide
Formula:	C20 H22 F2 N6 O
SMILES:	Fc1ccc(c(F)c1)C(=O)NCC4(N)CCN(c2ncnc3c2c(cn3)CC)C4
InChi:	InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
Definition date:	2010-05-10
Last modified:	2011-06-04
Identifier:	N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide

NEI

NEI
Name:	(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
Formula:	C12 H15 I N6 O4
SMILES:	Ic1nc(c2ncn(c2n1)C3OC(C(=O)NCC)C(O)C3O)N
InChi:	InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1
Definition date:	2006-06-16
Last modified:	2011-06-04
Identifier:	(2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)

UPS

UPS
Name:	2'-deoxy-5'-O-thiophosphonouridine
Formula:	C9 H13 N2 O7 P S
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O
InChi:	InChI=1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(13)10-9(11)14)18-6(5)4-17-19(15,16)20/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Definition date:	2009-02-10
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-thiophosphonouridine

SAI

SAI
Name:	S-ADENOSYL-L-HOMOSELENOCYSTEINE
Formula:	C14 H20 N6 O5 Se
SMILES:	O=C(O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	2001-05-16
Last modified:	2011-06-04
Identifier:	5'-Se-[(3S)-3-amino-3-carboxypropyl]-5'-selenoadenosine

P26

P26
Name:	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
Formula:	C23 H26 O4
SMILES:	O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C
InChi:	InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)
Definition date:	2009-01-21
Last modified:	2011-06-04
Identifier:	4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid

UC5

UC5
Name:	2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
Formula:	C10 H16 N2 O10 P2
SMILES:	O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:	InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:	2006-07-26
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine

C2B

C2B
Name:	1-(4-CHLOROPHENYL)METHANAMINE
Formula:	C7 H8 Cl N
SMILES:	Clc1ccc(cc1)CN
InChi:	InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Definition date:	2007-06-08
Last modified:	2011-06-04
Identifier:	1-(4-chlorophenyl)methanamine

XCR

XCR
Name:	[(1R,4S,6S)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
Formula:	C11 H16 N3 O6 P
SMILES:	NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C=C2
InChi:	InChI=1S/C11H16N3O6P/c12-10-3-4-14(11(16)13-10)8-2-1-7(9(15)5-8)6-20-21(17,18)19/h1-4,7-9,15H,5-6H2,(H2,12,13,16)(H2,17,18,19)/t7-,8-,9+/m1/s1
Definition date:	2009-11-20
Last modified:	2011-06-04
Identifier:	[(1R,4S,6S)-4-(4-azanyl-2-oxo-pyrimidin-1-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate

P27

P27
Name:	{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
Formula:	C29 H23 F6 N3 O6 P2
SMILES:	FC(F)(c1ccc(cc1)CC(c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O
InChi:	InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
Definition date:	2003-08-19
Last modified:	2011-06-04
Identifier:	{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)

ONE

ONE
Name:	1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE
Formula:	C10 H14 N O8 P
SMILES:	O=C1C=CN(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C10H14NO8P/c12-6-1-3-11(4-2-6)10-9(14)8(13)7(19-10)5-18-20(15,16)17/h1-4,7-10,13-14H,5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1
Definition date:	2000-03-09
Last modified:	2011-06-04
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-4(1H)-one

UPU

UPU
Name:	[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL HYDROGEN (S)-PHOSPHATE
Formula:	C18 H23 N4 O14 P
SMILES:	O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O
InChi:	InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
Definition date:	2007-05-24
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)

XCS

XCS
Name:	(1R)-1-(4-AMINO-6-METHYL-2-OXO-1,2-DIHYDROQUINAZOLIN-8-YL)-1,4-ANHYDRO-2-DEOXY-5-O-PHOSPHONO-D-ERYTHRO-PENTITOL
Formula:	C14 H18 N3 O7 P
SMILES:	O=C2N=C(N)c1cc(cc(c1N2)C3OC(COP(=O)(O)O)C(O)C3)C
InChi:	InChI=1S/C14H18N3O7P/c1-6-2-7(12-8(3-6)13(15)17-14(19)16-12)10-4-9(18)11(24-10)5-23-25(20,21)22/h2-3,9-11,18H,4-5H2,1H3,(H2,20,21,22)(H3,15,16,17,19)/t9-,10+,11+/m0/s1
Definition date:	2006-09-26
Last modified:	2011-06-04
Identifier:	(1R)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol

C2D

C2D
Name:	6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:	C22 H31 Cl2 N5 O S
SMILES:	ClC1N(C(O)C(=NC1)NCCC2NCCCC2)CCNCc3c4cc(Cl)ccc4sc3
InChi:	InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1
Definition date:	2005-07-27
Last modified:	2011-06-04
Identifier:	(2R,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol

AVC

AVC
Name:	ADENOSINE-5'-MONOPHOSPHATE-2',3'-VANADATE
Formula:	C10 H13 N5 O9 P V
SMILES:	O=[V]1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O
InChi:	InChI=1S/C10H12N5O7P.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20
Definition date:	2002-07-25
Last modified:	2011-06-04
Identifier:	[5'-adenylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium

P29

P29
Name:	4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
Formula:	C17 H15 N9
SMILES:	N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc3ccccc3
InChi:	InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
Definition date:	2007-05-11
Last modified:	2011-06-04
Identifier:	4-{[2-(1H-imidazol-5-yl)ethyl]amino}-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

SAM

SAM
Name:	S-ADENOSYLMETHIONINE
Formula:	C15 H22 N6 O5 S
SMILES:	[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)

AVD

AVD
Name:	1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:	C23 H12 Cl2 F2 N2 O5
SMILES:	Fc1cc(F)cc(Cl)c1Nc4c(Cl)cc2c(C(=O)C(=CN2c3ccccc3C(=O)O)C(=O)O)c4
InChi:	InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)
Definition date:	2008-03-11
Last modified:	2011-06-04
Identifier:	1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

P2A

P2A
Name:	1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C7 H13 O8 P
SMILES:	O=P(O)(OCC(OC(=O)C)COC(=O)C)O
InChi:	InChI=1S/C7H13O8P/c1-5(8)13-3-7(15-6(2)9)4-14-16(10,11)12/h7H,3-4H2,1-2H3,(H2,10,11,12)/t7-/m1/s1
Definition date:	2004-06-14
Last modified:	2011-06-04
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl diacetate

NEO

NEO
Name:	NEOPTERIN
Formula:	C9 H11 N5 O4
SMILES:	O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO
InChi:	InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2-amino-6-[(1R,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one

SAN

SAN
Name:	SULFANILAMIDE
Formula:	C6 H8 N2 O2 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N
InChi:	InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-aminobenzenesulfonamide

ZCY

ZCY
Name:	(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE
Formula:	C7 H12 N3 O6 P
SMILES:	O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N
InChi:	InChI=1S/C7H12N3O6P/c8-6-1-2-10(7(12)9-6)3-5(11)4-16-17(13,14)15/h1-2,5,11H,3-4H2,(H2,8,9,12)(H2,13,14,15)/t5-/m0/s1
Definition date:	2008-03-28
Last modified:	2011-06-04
Identifier:	(2S)-3-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate

YRG

YRG
Name:	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
Formula:	C15 H13 Cl O3
SMILES:	Clc2ccc(OC(C(=O)O)Cc1ccccc1)cc2
InChi:	InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
Definition date:	2008-02-28
Last modified:	2011-06-04
Identifier:	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid

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