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RN8

RN8
Name:	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)
Formula:	C22 H16 N2 O4 S2
SMILES:	N#Cc1c(c(sc1CC)C(=O)O)c3ccc(c2c(C#N)c(sc2C(=O)O)CC)cc3
InChi:	InChI=1S/C22H16N2O4S2/c1-3-15-13(9-23)17(19(29-15)21(25)26)11-5-7-12(8-6-11)18-14(10-24)16(4-2)30-20(18)22(27)28/h5-8H,3-4H2,1-2H3,(H,25,26)(H,27,28)
Definition date:	2011-04-26
Last modified:	2011-06-04
Identifier:	3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid)

NYS

NYS
Name:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:	InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
Definition date:	2007-10-08
Last modified:	2011-06-04
Identifier:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine

S24

S24
Name:	S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
Formula:	C7 H6 O4 S
SMILES:	O=C(Sc1ccc(O)cc1O)O
InChi:	InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11)
Definition date:	2007-12-20
Last modified:	2011-06-04
Identifier:	S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate

TPP

TPP
Name:	THIAMINE DIPHOSPHATE
Formula:	C12 H19 N4 O7 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:	InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

TPS

TPS
Name:	THIAMIN PHOSPHATE
Formula:	C12 H18 N4 O4 P S
SMILES:	O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:	InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium

VRX

VRX
Name:	(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
Formula:	C18 H15 F N2 O4 S
SMILES:	O=C(O)C(NC1=NC(=O)C(S1)=Cc2oc(cc2)CC)c3ccc(F)cc3
InChi:	InChI=1S/C18H15FN2O4S/c1-2-12-7-8-13(25-12)9-14-16(22)21-18(26-14)20-15(17(23)24)10-3-5-11(19)6-4-10/h3-9,15H,2H2,1H3,(H,23,24)(H,20,21,22)/b14-9-/t15-/m0/s1
Definition date:	2006-08-02
Last modified:	2011-06-04
Identifier:	(2S)-({(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)ethanoic acid

VSV

VSV
Name:	N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID
Formula:	C23 H21 N3 O7 S
SMILES:	O=C1C(SC(=O)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3
InChi:	InChI=1S/C23H21N3O7S/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m1/s1
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	N-({3-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-D-glutamic acid

U73

U73
Name:	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
Formula:	C13 H15 N3 O S
SMILES:	O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2
InChi:	InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
Definition date:	2005-06-06
Last modified:	2011-06-04
Identifier:	N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide

Y8L

Y8L
Name:	3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE
Formula:	C19 H22 N6 O S
SMILES:	O=C4SC(c3nc(/N=C2C=CC(N1CCNCC1)=CC2)ncc3)=C(N4C)C
InChi:	InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3,5-8,20H,4,9-12H2,1-2H3/b22-14+
Definition date:	2010-08-01
Last modified:	2011-06-04
Identifier:	3,4-dimethyl-5-(2-{[(1Z)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]amino}pyrimidin-4-yl)-1,3-thiazol-2(3H)-one

TEI

TEI
Name:	2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
Formula:	C16 H16 N2 O3 S
SMILES:	N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O)C
InChi:	InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
Definition date:	2002-11-12
Last modified:	2011-06-04
Identifier:	2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

T04

T04
Name:	2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
Formula:	C23 H20 F N3 O6 S2
SMILES:	OC(=O)CC[CH](NC(=O)c1cc(CNc2ccc(cc2)C=C3SC(=S)NC3=O)ccc1F)C(O)=O
InChi:	InChI=1S/C23H20FN3O6S2/c24-16-6-3-13(9-15(16)20(30)26-17(22(32)33)7-8-19(28)29)11-25-14-4-1-12(2-5-14)10-18-21(31)27-23(34)35-18/h1-6,9-10,17,25H,7-8,11H2,(H,26,30)(H,28,29)(H,32,33)(H,27,31,34)/b18-10-/t17-/m1/s1
Definition date:	2011-01-20
Last modified:	2011-06-04
Identifier:	2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid

SLU

SLU
Name:	5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE
Formula:	C21 H18 N8 O8 S3
SMILES:	O=S(=O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)NC(=O)c4nc(sc4)c5nc6ccc(O)cc6s5
InChi:	InChI=1S/C21H18N8O8S3/c22-16-13-17(24-6-23-16)29(7-25-13)21-15(32)14(31)11(37-21)4-36-40(34,35)28-18(33)10-5-38-19(27-10)20-26-9-2-1-8(30)3-12(9)39-20/h1-3,5-7,11,14-15,21,30-32H,4H2,(H,28,33)(H2,22,23,24)/t11-,14-,15-,21-/m1/s1
Definition date:	2005-09-06
Last modified:	2011-06-04
Identifier:	5'-O-({[2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-yl]carbonyl}sulfamoyl)adenosine

TFL

TFL
Name:	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
Formula:	C16 H17 N2 O S
SMILES:	Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3
InChi:	InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1
Definition date:	2006-10-19
Last modified:	2011-06-04
Identifier:	2-[4-(dimethylamino)phenyl]-6-hydroxy-3-methyl-1,3-benzothiazol-3-ium

WWF

WWF
Name:	C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN
Formula:	C17 H29 N4 O8 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)CC(C)C
InChi:	InChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t14-/m1/s1
Definition date:	2004-11-16
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-1-hydroxy-3-methylbutyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

T1N

T1N
Name:	(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid
Formula:	C14 H14 O2 S
SMILES:	O=C(O)C(c1ccc2c(c1)ccc(SC)c2)C
InChi:	InChI=1S/C14H14O2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
Definition date:	2010-07-07
Last modified:	2011-06-04
Identifier:	(2S)-2-[6-(methylsulfanyl)naphthalen-2-yl]propanoic acid

AR2

AR2
Name:	ARGINYL-BENZOTHIAZOLE-6-CARBOXYLIC ACID
Formula:	C14 H17 N5 O3 S
SMILES:	O=C(O)c1ccc2nc(sc2c1)C(=O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C14H17N5O3S/c15-8(2-1-5-18-14(16)17)11(20)12-19-9-4-3-7(13(21)22)6-10(9)23-12/h3-4,6,8H,1-2,5,15H2,(H,21,22)(H4,16,17,18)/t8-/m0/s1
Definition date:	2000-01-04
Last modified:	2011-06-04
Identifier:	2-(L-arginyl)-1,3-benzothiazole-6-carboxylic acid

ATA

ATA
Name:	ATRAZINE GLUTATHIONE CONJUGATE
Formula:	C18 H30 N8 O6 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1nc(nc(n1)NC(C)C)NCC
InChi:	InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-{4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl}-L-cysteinylglycine

B48

B48
Name:	4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole
Formula:	C12 H11 N3 S3
SMILES:	s1cccc1c2nc(c(s2)c3cc(SC)nn3)C
InChi:	InChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15)
Definition date:	2009-02-11
Last modified:	2011-06-04
Identifier:	4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole

82X

82X
Name:	3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid
Formula:	C28 H21 Cl2 N O4 S
SMILES:	Clc1cccc(Cl)c1c2noc(c2COc5ccc3c(sc(c3)c4cccc(C(=O)O)c4)c5)C(C)C
InChi:	InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)
Definition date:	2009-05-06
Last modified:	2011-06-04
Identifier:	3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid

OXT

OXT
Name:	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:	C34 H55 N11 O24 P5 S2
SMILES:	O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N)c5nc4
InChi:	InChI=1S/C34H54N11O24P5S2/c1-17-21(6-9-63-72(57,58)68-71(54,55)56)76-32(44(17)12-19-11-39-18(2)43-27(19)35)33(50)75-10-8-37-22(46)5-7-38-30(49)26(48)34(3,4)14-65-74(61,62)69-73(59,60)64-13-20-25(67-70(51,52)53)24(47)31(66-20)45-16-42-23-28(36)40-15-41-29(23)45/h11,15-16,20,24-26,31,33,47-48,50H,5-10,12-14H2,1-4H3,(H12-,35,36,37,38,39,40,41,43,46,49,51,52,53,54,55,56,57,58,59,60,61,62)/p+1/t20-,24-,25-,26+,31-,33-/m1/s1
Definition date:	2007-02-26
Last modified:	2011-06-04
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (non-preferred name)

786

786
Name:	(2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide
Formula:	C24 H30 N6 O6 S2
SMILES:	O=C(NC(c2ccc(n1nccc1)cc2)C)C(O)C(O)C(=O)N4C(c3nc(sc3S(=O)(=O)C)NC)CCC4
InChi:	InChI=1S/C24H30N6O6S2/c1-14(15-7-9-16(10-8-15)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-6-17(29)18-23(38(3,35)36)37-24(25-2)28-18/h5,7-11,13-14,17,19-20,31-32H,4,6,12H2,1-3H3,(H,25,28)(H,27,33)/t14-,17-,19-,20-/m1/s1
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	(2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide

P1L

P1L
Name:	S-PALMITOYL-L-CYSTEINE
Formula:	C19 H37 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1
Definition date:	2005-09-03
Last modified:	2011-06-04
Identifier:	S-hexadecanoyl-L-cysteine

PNU

PNU
Name:	6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
Formula:	C13 H11 Cl N4 O S
SMILES:	Clc1nc(nc(N)c1)SC(c2ncc3occc3c2)C
InChi:	InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1
Definition date:	2001-05-22
Last modified:	2011-06-04
Identifier:	6-chloro-2-{[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl}pyrimidin-4-amine

BIY

BIY
Name:	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
Formula:	C8 H11 N O4 S
SMILES:	O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1
InChi:	InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
Definition date:	2009-06-04
Last modified:	2011-06-04
Identifier:	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid

5BM

5BM
Name:	(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile
Formula:	C18 H16 N6 S2
SMILES:	N#CC(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N
InChi:	InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+
Definition date:	2008-10-13
Last modified:	2011-06-04
Identifier:	(2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile

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