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OHM

OHM
Name:	3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
Formula:	C16 H28 N2 O3
SMILES:	O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:	InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
Definition date:	2006-11-10
Last modified:	2011-06-04
Identifier:	3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide

S58

S58
Name:	1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE
Formula:	C16 H11 Br F3 N3 O2 S
SMILES:	O=S(=O)(c3ccc(n1nc(cc1c2ccc(Br)cc2)C(F)(F)F)cc3)N
InChi:	InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

PBL

PBL
Name:	pentane-2,2,4,4-tetrol
Formula:	C5 H12 O4
SMILES:	OC(O)(C)CC(O)(O)C
InChi:	InChI=1S/C5H12O4/c1-4(6,7)3-5(2,8)9/h6-9H,3H2,1-2H3
Definition date:	2010-05-24
Last modified:	2011-06-04
Identifier:	pentane-2,2,4,4-tetrol

OHN

OHN
Name:	N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
Formula:	C16 H27 N O4
SMILES:	O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:	InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide

XAO

XAO
Name:	CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE
Formula:	C14 H29 N O2
SMILES:	OC(CC(C)C)C(O)C(N)CC1CCCCC1
InChi:	InChI=1S/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol

OHO

OHO
Name:	CYCLOHEXANE AMINOCARBOXYLIC ACID
Formula:	C7 H13 N O2
SMILES:	O=C(O)NC1CCCCC1
InChi:	InChI=1S/C7H13NO2/c9-7(10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	cyclohexylcarbamic acid

NNI

NNI
Name:	O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
Formula:	C17 H13 I N2 O3 S
SMILES:	Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O
InChi:	InChI=1S/C17H13IN2O3S/c18-11-5-7-12(8-6-11)19-17(24)23-10-9-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-8H,9-10H2,(H,19,24)
Definition date:	2007-11-08
Last modified:	2011-06-04
Identifier:	O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate

XAP

XAP
Name:	3-AMINOOXY-1-AMINOPROPANE
Formula:	C3 H10 N2 O
SMILES:	O(N)CCCN
InChi:	InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2
Definition date:	2007-01-25
Last modified:	2011-06-04
Identifier:	3-(aminooxy)propan-1-amine

PQA

PQA
Name:	[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Formula:	C21 H21 F N4 O2
SMILES:	Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC3CCNCC3)ccc4
InChi:	InChI=1S/C21H21FN4O2/c22-15-4-6-16(7-5-15)26-21(23)19(13-25-26)20(27)14-2-1-3-18(12-14)28-17-8-10-24-11-9-17/h1-7,12-13,17,24H,8-11,23H2
Definition date:	2005-10-21
Last modified:	2011-06-04
Identifier:	[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl][3-(piperidin-4-yloxy)phenyl]methanone

PBN

PBN
Name:	4-PHENYLBUTYLAMINE
Formula:	C10 H15 N
SMILES:	c1ccccc1CCCCN
InChi:	InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-phenylbutan-1-amine

OHP

OHP
Name:	(2-HYDROXYPHENYL)ACETIC ACID
Formula:	C8 H8 O3
SMILES:	O=C(O)Cc1ccccc1O
InChi:	InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	2006-10-10
Last modified:	2011-06-04
Identifier:	(2-hydroxyphenyl)acetic acid

O28

O28
Name:	2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:	C19 H21 F3 N4 O2 S
SMILES:	FC(F)(F)c1nn(c2c1CCCC2)CC(=O)Nc3sc4c(c3C(=O)N)CCCC4
InChi:	InChI=1S/C19H21F3N4O2S/c20-19(21,22)16-10-5-1-3-7-12(10)26(25-16)9-14(27)24-18-15(17(23)28)11-6-2-4-8-13(11)29-18/h1-9H2,(H2,23,28)(H,24,27)
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

KEN

KEN
Name:	N,N-dimethylmethanamine
Formula:	C3 H9 N
SMILES:	CN(C)C
InChi:	InChI=1S/C3H9N/c1-4(2)3/h1-3H3
Definition date:	2009-11-17
Last modified:	2011-06-04
Identifier:	N,N-dimethylmethanamine

TSR

TSR
Name:	2-(1H-INDOL-3-YL)ACETAMIDE
Formula:	C10 H10 N2 O
SMILES:	O=C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
Definition date:	2005-08-09
Last modified:	2011-06-04
Identifier:	2-(1H-indol-3-yl)acetamide

TE6

TE6
Name:	Orthotelluric acid
Formula:	H6 O6 Te
SMILES:	O[Te](O)(O)(O)(O)O
InChi:	InChI=1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H
Definition date:	2010-02-25
Last modified:	2011-06-04

PQB

PQB
Name:	[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Formula:	C19 H18 F N3 O4
SMILES:	Fc3ccc(n1ncc(c1N)C(=O)c2cccc(OCC(O)CO)c2)cc3
InChi:	InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
Definition date:	2005-10-24
Last modified:	2011-06-04
Identifier:	[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2S)-2,3-dihydroxypropyl]oxy}phenyl)methanone

XAR

XAR
Name:	[(1R,4S,6S)-4-(6-AMINO-9H-PURIN-9-YL)-6-HYDROXYCYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C12 H16 N5 O5 P
SMILES:	O=P(O)(O)OCC3C=CC(n1c2ncnc(c2nc1)N)CC3O
InChi:	InChI=1S/C12H16N5O5P/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(9(18)3-8)4-22-23(19,20)21/h1-2,5-9,18H,3-4H2,(H2,13,14,15)(H2,19,20,21)/t7-,8-,9+/m1/s1
Definition date:	2007-04-18
Last modified:	2011-06-04
Identifier:	[(1R,4S,6S)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen phosphate

VG5

VG5
Name:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Formula:	C32 H45 N5 O4
SMILES:	O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4)C
InChi:	InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
Definition date:	2007-12-06
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide

PBQ

PBQ
Name:	PENTABROMOPSEUDILIN
Formula:	C10 H4 Br5 N O
SMILES:	Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br
InChi:	InChI=1S/C10H4Br5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
Definition date:	2008-03-25
Last modified:	2011-06-04
Identifier:	2,4-dibromo-6-(3,4,5-tribromo-1H-pyrrol-2-yl)phenol

XAV

XAV
Name:	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
Formula:	C14 H11 F3 N2 O S
SMILES:	Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol

PBR

PBR
Name:	PENTABROMOPHENOL
Formula:	C6 H Br5 O
SMILES:	Brc1c(O)c(Br)c(Br)c(Br)c1Br
InChi:	InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Definition date:	2000-07-07
Last modified:	2011-06-04
Identifier:	pentabromophenol

O2C

O2C
Name:	3'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:	C9 H14 N3 O7 P
SMILES:	O=C1N=C(N)C=CN1C2OC(CC2O)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2005-10-31
Last modified:	2011-06-04
Identifier:	3'-deoxy-5'-cytidylic acid

0A7

0A7
Name:	2-(carboxymethyl)benzoic acid
Formula:	C9 H8 O4
SMILES:	O=C(O)Cc1ccccc1C(=O)O
InChi:	InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
Definition date:	2007-11-09
Last modified:	2011-06-04
Identifier:	2-(carboxymethyl)benzoic acid

PBS

PBS
Name:	(2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
Formula:	C32 H63 N O9
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCC
InChi:	InChI=1S/C32H63NO9/c1-3-5-7-9-10-11-12-13-14-15-17-18-20-25(35)28(37)24(33-27(36)21-19-16-8-6-4-2)23-41-32-31(40)30(39)29(38)26(22-34)42-32/h24-26,28-32,34-35,37-40H,3-23H2,1-2H3,(H,33,36)/t24-,25+,26+,28-,29-,30-,31+,32-/m0/s1
Definition date:	2005-04-11
Last modified:	2011-06-04
Identifier:	N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide

NNO

NNO
Name:	6-HYDROXYISONICOTINIC ACID N-OXIDE
Formula:	C6 H5 N O4
SMILES:	O=C(O)c1c[n+]([O-])c(O)cc1
InChi:	InChI=1S/C6H5NO4/c8-5-2-1-4(6(9)10)3-7(5)11/h1-3,8H,(H,9,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	6-hydroxypyridine-3-carboxylic acid 1-oxide

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