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P36

P36
Name:	1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
Formula:	C19 H16 Br N O2
SMILES:	BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3
InChi:	InChI=1S/C19H16BrNO2/c20-18-17(23-14-16-9-5-2-6-10-16)11-12-21(19(18)22)13-15-7-3-1-4-8-15/h1-12H,13-14H2
Definition date:	2009-06-05
Last modified:	2011-06-04
Identifier:	1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one

NTN

NTN
Name:	ISONICOTINAMIDINE
Formula:	C6 H7 N3
SMILES:	[N@H]=C(N)c1ccncc1
InChi:	InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
Definition date:	2001-04-16
Last modified:	2011-06-04
Identifier:	pyridine-4-carboximidamide

NFA

NFA
Name:	PHENYLALANINE AMIDE
Formula:	C9 H12 N2 O
SMILES:	O=C(N)C(N)Cc1ccccc1
InChi:	InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	L-phenylalaninamide

PI0

PI0
Name:	(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
Formula:	C26 H36 N6 O5 S
SMILES:	O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2
InChi:	InChI=1S/C26H36N6O5S/c1-3-17(2)23(32-38(36,37)16-19-7-5-4-6-8-19)26(35)31-21(13-14-22(27)33)25(34)30-15-18-9-11-20(12-10-18)24(28)29/h4-12,17,21,23,32H,3,13-16H2,1-2H3,(H2,27,33)(H3,28,29)(H,30,34)(H,31,35)/t17-,21+,23-/m1/s1
Definition date:	2008-06-30
Last modified:	2011-06-04
Identifier:	N-(benzylsulfonyl)-D-isoleucyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

X1H

X1H
Name:	[6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIOPHEN-3-YL](4-METHOXYPHENYL)METHANONE
Formula:	C22 H16 O4 S
SMILES:	O=C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c4ccc(OC)cc4
InChi:	InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3
Definition date:	2009-12-24
Last modified:	2011-06-04
Identifier:	[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl](4-methoxyphenyl)methanone

TZ1

TZ1
Name:	N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide
Formula:	C16 H9 Cl N4 O S3
SMILES:	Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)ccnc3c4
InChi:	InChI=1S/C16H9ClN4OS3/c17-9-3-4-10-11(8-9)18-6-5-12(10)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22)
Definition date:	2010-07-16
Last modified:	2011-06-04
Identifier:	N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide

XGL

XGL
Name:	[(1S,4R,6R)-6-HYDROXY-4-(GUANIN-9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H16 N5 O6 P
SMILES:	O=P(O)(O)OCC3C=CC(n1c2N=C(NC(=O)c2nc1)N)CC3O
InChi:	InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m0/s1
Definition date:	2006-05-19
Last modified:	2011-06-04
Identifier:	[(1S,4R,6R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate

NTS

NTS
Name:	NAPHTHALENE TRISULFONATE
Formula:	C10 H5 O9 S3
SMILES:	[O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O
InChi:	InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	naphthalene-1,3,6-trisulfonate

XYH

XYH
Name:	XYLAROHYDROXAMATE
Formula:	C5 H8 N O7
SMILES:	O=C(NO)C(O)C(O)C(O)C([O-])=O
InChi:	InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/p-1/t1-,2-,3+/m0/s1
Definition date:	2000-01-31
Last modified:	2011-06-04
Identifier:	(2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoate (non-preferred name)

URI

URI
Name:	URIDINE
Formula:	C9 H12 N2 O6
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
InChi:	InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
Definition date:	2001-03-08
Last modified:	2011-06-04
Identifier:	uridine

YVQ

YVQ
Name:	3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
Formula:	C17 H12 N6
SMILES:	n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
InChi:	InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
Definition date:	2010-05-19
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine

5NS

5NS
Name:	5-aminonaphthalene-1-sulfonic acid
Formula:	C10 H9 N O3 S
SMILES:	O=S(=O)(O)c1cccc2c1cccc2N
InChi:	InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
Definition date:	2008-03-13
Last modified:	2011-06-04
Identifier:	5-aminonaphthalene-1-sulfonic acid

XGR

XGR
Name:	[(1R,4S,6S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate
Formula:	C12 H16 N5 O6 P
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)C=C3
InChi:	InChI=1S/C12H16N5O6P/c13-12-15-10-9(11(19)16-12)14-5-17(10)7-2-1-6(8(18)3-7)4-23-24(20,21)22/h1-2,5-8,18H,3-4H2,(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8+/m1/s1
Definition date:	2009-11-20
Last modified:	2011-06-04
Identifier:	[(1R,4S,6S)-4-(2-azanyl-6-oxo-1H-purin-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate

X1S

X1S
Name:	3-SULFOPROPANOIC ACID
Formula:	C3 H6 O5 S
SMILES:	O=C(O)CCS(=O)(=O)O
InChi:	InChI=1S/C3H6O5S/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H,6,7,8)
Definition date:	2010-01-04
Last modified:	2011-06-04
Identifier:	3-sulfopropanoic acid

URO

URO
Name:	(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID
Formula:	C6 H6 N2 O2
SMILES:	O=C(O)C=Cc1ncnc1
InChi:	InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
Definition date:	2004-02-05
Last modified:	2011-06-04
Identifier:	(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid

PX2

PX2
Name:	1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE
Formula:	C27 H52 O8 P
SMILES:	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
InChi:	InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1
Definition date:	2004-08-02
Last modified:	2011-06-04
Identifier:	(2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate

020

020
Name:	N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline
Formula:	C12 H9 F3 N2 O3
SMILES:	FC(F)(F)c1ccc(c([N+]([O-])=O)c1)NCc2occc2
InChi:	InChI=1S/C12H9F3N2O3/c13-12(14,15)8-3-4-10(11(6-8)17(18)19)16-7-9-2-1-5-20-9/h1-6,16H,7H2
Definition date:	2009-05-07
Last modified:	2011-06-04
Identifier:	N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline

VMS

VMS
Name:	5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE
Formula:	C15 H23 N7 O7 S
SMILES:	O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(C)C
InChi:	InChI=1S/C15H23N7O7S/c1-6(2)8(16)14(25)21-30(26,27)28-3-7-10(23)11(24)15(29-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-8,10-11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,10-,11-,15-/m1/s1
Definition date:	2004-06-09
Last modified:	2011-06-04
Identifier:	5'-O-(L-valylsulfamoyl)adenosine

TZC

TZC
Name:	1,2,4-TRIAZOLE-CARBOXAMIDINE
Formula:	C3 H6 N5
SMILES:	n1cnn(C(=[NH2+])N)c1
InChi:	InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1
Definition date:	1999-12-16
Last modified:	2011-06-04
Identifier:	amino(1H-1,2,4-triazol-1-yl)methaniminium

PIC
Name:	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
Formula:	C12 H9 F2 O5 P
SMILES:	FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
InChi:	InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
Definition date:	1999-08-25
Last modified:	2011-06-04
Identifier:	6-[difluoro(phosphono)methyl]naphthalene-2-carboxylic acid

PX4

PX4
Name:	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:	C36 H73 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
InChi:	InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
Definition date:	2004-07-27
Last modified:	2011-06-04
Identifier:	(4R,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide

NFO

NFO
Name:	NI-FE OXIDIZED ACTIVE CENTER
Formula:	C3 H2 Fe N Ni O3
SMILES:	[Ni]O[Fe](C=O)(C=O)C#N
InChi:	InChI=1S/CN.2CHO.Fe.Ni.O/c3*1-2
Definition date:	2004-12-17
Last modified:	2011-06-04
Identifier:	(cyano-dimethanoyl-ferrio)oxynickel

PIE

PIE
Name:	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
Formula:	C43 H80 O13 P
SMILES:	O=C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1
Definition date:	2002-09-09
Last modified:	2011-06-04
Identifier:	(2R)-3-(hexadecanoyloxy)-2-[(9E)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

NFP

NFP
Name:	(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
Formula:	C17 H19 N O2 S
SMILES:	O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2
InChi:	InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine

023

023
Name:	N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE
Formula:	C21 H33 N3 O4
SMILES:	O=C(NC)C(NC(=O)C(CCCc1ccccc1)C(N(O)C=O)C)C(C)(C)C
InChi:	InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
Definition date:	2009-07-22
Last modified:	2011-06-04
Identifier:	N~2~-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide

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