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U8U

U8U
Name:	5-METHYLAMINOMETHYL-2-THIOURIDINE-5'-MONOPHOSPHATE
Formula:	C11 H18 N3 O8 P S
SMILES:	O=C1NC(=S)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C11H18N3O8PS/c1-12-2-5-3-14(11(24)13-9(5)17)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,24)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1
Definition date:	2000-05-16
Last modified:	2011-06-04
Identifier:	5-[(methylamino)methyl]-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

XC2

XC2
Name:	(3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID
Formula:	C27 H28 N2 O4 S
SMILES:	O=C2C(=C(C(=C1SCC(N12)C(=O)O)C3CC3)Cc5c4ccccc4ccc5)CN6CCOCC6
InChi:	InChI=1S/C27H28N2O4S/c30-25-22(15-28-10-12-33-13-11-28)21(14-19-6-3-5-17-4-1-2-7-20(17)19)24(18-8-9-18)26-29(25)23(16-34-26)27(31)32/h1-7,18,23H,8-16H2,(H,31,32)/t23-/m0/s1
Definition date:	2006-10-12
Last modified:	2011-06-04
Identifier:	(3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

TFE

TFE
Name:	2'-O-[2-(TRIFLUORO)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
Formula:	C12 H16 F3 N2 O9 P
SMILES:	FC(F)(F)COC2C(O)C(OC2N1C(=O)NC(=O)C(=C1)C)COP(=O)(O)O
InChi:	InChI=1S/C12H16F3N2O9P/c1-5-2-17(11(20)16-9(5)19)10-8(24-4-12(13,14)15)7(18)6(26-10)3-25-27(21,22)23/h2,6-8,10,18H,3-4H2,1H3,(H,16,19,20)(H2,21,22,23)/t6-,7-,8-,10-/m1/s1
Definition date:	2004-12-17
Last modified:	2011-06-04
Identifier:	5-methyl-2'-O-(2,2,2-trifluoroethyl)uridine 5'-(dihydrogen phosphate)

TFF

TFF
Name:	5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
Formula:	C12 H17 F4 N2 O12 P3
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F)(F)[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O)NC1=O
InChi:	InChI=1S/C12H17F4N2O12P3/c1-5-3-18(10(21)17-9(5)20)8-2-6(19)7(30-8)4-29-33(27,28)12(15,16)31(22,23)11(13,14)32(24,25)26/h3,6-8,19H,2,4H2,1H3,(H,22,23)(H,27,28)(H,17,20,21)(H2,24,25,26)/t6-,7+,8+/m0/s1
Definition date:	2010-02-04
Last modified:	2011-06-04
Identifier:	[[[difluoro-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid

TFG

TFG
Name:	2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL
Formula:	C19 H16 F3 N3 O3 S
SMILES:	O=C(c1sc(cc1)C(O)(O)C(F)(F)F)N4Cc3ncc(c2ccccc2)n3CC4
InChi:	InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2
Definition date:	2008-03-17
Last modified:	2011-06-04
Identifier:	2,2,2-trifluoro-1-{5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophen-2-yl}ethane-1,1-diol

PRL

PRL
Name:	PROFLAVIN
Formula:	C13 H11 N3
SMILES:	n1c3c(cc2c1cc(N)cc2)ccc(c3)N
InChi:	InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	acridine-3,6-diamine

PCX

PCX
Name:	DEOXYGUANIDINOPROCLAVAMINIC ACID
Formula:	C9 H16 N4 O3
SMILES:	O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N
InChi:	InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1
Definition date:	2002-02-12
Last modified:	2011-06-04
Identifier:	(2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid

PRN

PRN
Name:	PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE
Formula:	C10 H13 N4 O6 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1cncnc12)CC3O
InChi:	InChI=1S/C10H13N4O6P/c15-7-1-9(20-8(7)3-19-21(16,17)18)14-5-13-6-2-11-4-12-10(6)14/h2,4-5,7-9,15H,1,3H2,(H2,16,17,18)/t7-,8+,9+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine

NOW

NOW
Name:	Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
Formula:	C21 H29 N5 O2
SMILES:	O=C(c1cc(nn1C)C(C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C
InChi:	InChI=1S/C21H29N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H,23,27)(H,24,28)/b22-9+/t16-/m0/s1
Definition date:	2009-05-22
Last modified:	2011-06-04
Identifier:	Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide

V21

V21
Name:	3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide
Formula:	C9 H8 N4 O2 S3
SMILES:	CSC1=[S]=Nn2c3cc(ccc3nc12)[S](N)(=O)=O
InChi:	InChI=1S/C9H8N4O2S3/c1-16-9-8-11-6-3-2-5(18(10,14)15)4-7(6)13(8)12-17-9/h2-4H,1H3,(H2,10,14,15)
Definition date:	2009-05-29
Last modified:	2011-06-04

PD2

PD2
Name:	PYRIDINE-2,4-DICARBOXYLIC ACID
Formula:	C7 H5 N O4
SMILES:	O=C(O)c1nccc(C(=O)O)c1
InChi:	InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Definition date:	2006-04-07
Last modified:	2011-06-04
Identifier:	pyridine-2,4-dicarboxylic acid

ZDU

ZDU
Name:	5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C12 H20 N3 O8 P
SMILES:	O=C1NC(=O)N(C=C1CCCN)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C12H20N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h5,8-10,16H,1-4,6,13H2,(H,14,17,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
Definition date:	2005-04-08
Last modified:	2011-06-04
Identifier:	5-(3-aminopropyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)

NP2

NP2
Name:	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
Formula:	C9 H13 N3 O2
SMILES:	[O-][N+](=O)c1ccccc1NCCCN
InChi:	InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2
Definition date:	2005-01-17
Last modified:	2011-06-04
Identifier:	N-(2-nitrophenyl)propane-1,3-diamine

TFQ

TFQ
Name:	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
Formula:	C11 H12 F3 N O2
SMILES:	FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2007-05-31
Last modified:	2011-06-04
Identifier:	4-(2,2,2-trifluoroethyl)-L-phenylalanine

PD7

PD7
Name:	(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
Formula:	C17 H33 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O
InChi:	InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
Definition date:	2007-12-07
Last modified:	2011-06-04
Identifier:	(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate

NP3

NP3
Name:	1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
Formula:	C9 H13 N2 O8 P
SMILES:	[O-][N+](=O)c1ccn(c1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O8P/c12-7-3-9(10-2-1-6(4-10)11(13)14)19-8(7)5-18-20(15,16)17/h1-2,4,7-9,12H,3,5H2,(H2,15,16,17)/t7-,8+,9+/m0/s1
Definition date:	1999-12-20
Last modified:	2011-06-04
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-nitro-1H-pyrrole

XCF

XCF
Name:	5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
Formula:	C19 H22 N4 O3
SMILES:	n1cc(c(nc1N)N)Cc3cc(OC)c(OC)c2OC(C=Cc23)C4CC4
InChi:	InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1
Definition date:	2009-01-22
Last modified:	2011-06-04
Identifier:	5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine

VX1

VX1
Name:	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
Formula:	C17 H11 Cl N4 O
SMILES:	Clc4ccc(c1onc2ccc(cc12)c3nc(ncc3)N)cc4
InChi:	InChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine

PD8

PD8
Name:	PHOSPHORYLATED DIHYDROPTEROATE
Formula:	C14 H13 N6 O6 P
SMILES:	O=P(O)(O)OC(=O)c1ccc(cc1)NCc2nc3C(=O)NC(=Nc3nc2)N
InChi:	InChI=1S/C14H13N6O6P/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)26-27(23,24)25/h1-4,6,16H,5H2,(H2,23,24,25)(H3,15,17,19,20,21)
Definition date:	2004-08-31
Last modified:	2011-06-04
Identifier:	(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl dihydrogen phosphate

NP4

NP4
Name:	(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
Formula:	C16 H17 Cl O5
SMILES:	O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:	InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
Definition date:	2006-07-04
Last modified:	2011-06-04
Identifier:	(5Z)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione

XCG

XCG
Name:	2-(2-BENZOFURANYL)-2-IMIDAZOLINE
Formula:	C11 H8 N2 O
SMILES:	n1ccnc1c3oc2ccccc2c3
InChi:	InChI=1S/C11H8N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-7H,(H,12,13)
Definition date:	2010-04-23
Last modified:	2011-06-04
Identifier:	2-(1-benzofuran-2-yl)-1H-imidazole

Q6W

Q6W
Name:	3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide
Formula:	C31 H30 N6 O2
SMILES:	O=C(NCc1ncccc1)CCc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5
InChi:	InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)
Definition date:	2011-01-04
Last modified:	2011-06-04
Identifier:	3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide

NP5

NP5
Name:	(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
Formula:	C16 H17 Cl O5
SMILES:	O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl
InChi:	InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
Definition date:	2006-07-04
Last modified:	2011-06-04
Identifier:	(5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione

VX3

VX3
Name:	2,3-diphenyl-1H-indole-7-carboxylic acid
Formula:	C21 H15 N O2
SMILES:	O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
Definition date:	2007-11-29
Last modified:	2011-06-04
Identifier:	2,3-diphenyl-1H-indole-7-carboxylic acid

NP6

NP6
Name:	[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Formula:	C17 H23 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCC)Nc2ccccc2
InChi:	InChI=1S/C17H23N3O7/c1-2-6-12(22)19-13-15(24)14(23)11(9-21)26-16(13)20-27-17(25)18-10-7-4-3-5-8-10/h3-5,7-8,11,13-15,21,23-24H,2,6,9H2,1H3,(H,18,25)(H,19,22)/b20-16-/t11-,13-,14-,15-/m1/s1
Definition date:	2009-03-10
Last modified:	2011-06-04
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]butanamide (non-preferred name)

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