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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

BPX

BPX
Name:	(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
Formula:	C12 H15 N O6
SMILES:	[O-][N+](=O)CC(O)(O)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C12H15NO6/c14-11(15)10(6-9-4-2-1-3-5-9)7-12(16,17)8-13(18)19/h1-5,10,16-17H,6-8H2,(H,14,15)/t10-/m1/s1
Definition date:	2009-01-22
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-4,4-dihydroxy-5-nitropentanoic acid

BPY

BPY
Name:	BIPHENYL-2,3-DIOL
Formula:	C12 H10 O2
SMILES:	Oc2c(c1ccccc1)cccc2O
InChi:	InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
Definition date:	2000-03-01
Last modified:	2011-06-04
Identifier:	biphenyl-2,3-diol

S2D

S2D
Name:	N-BENZOYL-D-ALANINE
Formula:	C10 H11 N O3
SMILES:	O=C(NC(C(=O)O)C)c1ccccc1
InChi:	InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
Definition date:	2006-12-23
Last modified:	2011-06-04
Identifier:	N-benzoyl-D-alanine

S2M

S2M
Name:	2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE
Formula:	C13 H21 N2 O9 P S
SMILES:	O=C1NC(=S)N(C=C1C)C2OC(C(O)C2OCCOC)COP(=O)(O)O
InChi:	InChI=1S/C13H21N2O9PS/c1-7-5-15(13(26)14-11(7)17)12-10(22-4-3-21-2)9(16)8(24-12)6-23-25(18,19)20/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,26)(H2,18,19,20)/t8-,9-,10-,12-/m1/s1
Definition date:	2005-09-16
Last modified:	2011-06-04
Identifier:	1-[2-O-(2-methoxyethyl)-5-O-phosphono-beta-D-ribofuranosyl]-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

BQM

BQM
Name:	3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
Formula:	C21 H18 F6 N2 O2 S
SMILES:	O=C(C=Cc2ccc(Sc1cc(N)ccc1)c(c2C(F)(F)F)C(F)(F)F)N3CCOCC3
InChi:	InChI=1S/C21H18F6N2O2S/c22-20(23,24)18-13(5-7-17(30)29-8-10-31-11-9-29)4-6-16(19(18)21(25,26)27)32-15-3-1-2-14(28)12-15/h1-7,12H,8-11,28H2/b7-5+
Definition date:	2008-01-03
Last modified:	2011-06-04
Identifier:	3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline

BQN

BQN
Name:	4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
Formula:	C27 H22 F6 N2 O3 S
SMILES:	O=C(C=Cc3ccc(Sc2ccccc2OCc1cccnc1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4
InChi:	InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(8-10-23(36)35-12-14-37-15-13-35)7-9-22(25(24)27(31,32)33)39-21-6-2-1-5-20(21)38-17-18-4-3-11-34-16-18/h1-11,16H,12-15,17H2/b10-8+
Definition date:	2008-01-03
Last modified:	2011-06-04
Identifier:	4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine

S38

S38
Name:	4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
Formula:	C17 H14 N2 O
SMILES:	O=C(NC2CC2c1ccccc1)c3ccc(C#N)cc3
InChi:	InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1
Definition date:	2010-09-27
Last modified:	2011-06-04
Identifier:	4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

S3H

S3H
Name:	trisulfane
Formula:	H2 S3
SMILES:	SSS
InChi:	InChI=1S/H2S3/c1-3-2/h1-2H
Definition date:	2009-05-11
Last modified:	2011-06-04
Identifier:	trisulfane

BR6

BR6
Name:	(E)-4-((4-bromophenylimino)methyl)benzimidamide
Formula:	C14 H12 Br N3
SMILES:	Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2
InChi:	InChI=1S/C14H12BrN3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-9H,(H3,16,17)/b18-9+
Definition date:	2009-10-13
Last modified:	2011-06-04
Identifier:	4-{(E)-[(4-bromophenyl)imino]methyl}benzenecarboximidamide

BRB

BRB
Name:	PARA-BROMOBENZYL ALCOHOL
Formula:	C7 H7 Br O
SMILES:	Brc1ccc(cc1)CO
InChi:	InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4-bromophenyl)methanol

BRC

BRC
Name:	12-BROMODODECANOIC ACID
Formula:	C12 H23 Br O2
SMILES:	BrCCCCCCCCCCCC(=O)O
InChi:	InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	12-bromododecanoic acid

BRD

BRD
Name:	1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
Formula:	C10 H14 N2 O5
SMILES:	O=C1NC=CC=CN1C2OC(C(O)C2O)CO
InChi:	InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
Definition date:	2002-09-17
Last modified:	2011-06-04
Identifier:	1-beta-D-ribofuranosyl-1,3-dihydro-2H-1,3-diazepin-2-one

BRG

BRG
Name:	8-BROMOGUANINE
Formula:	C5 H4 Br N5 O
SMILES:	O=C2NC(=Nc1nc(Br)nc12)N
InChi:	InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
Definition date:	2002-06-14
Last modified:	2011-06-04
Identifier:	2-amino-8-bromo-1,7-dihydro-6H-purin-6-one

BRQ

BRQ
Name:	{[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE
Formula:	C16 H12 Cl F N3 O S
SMILES:	Fc1ccc(cc1)C(=O)c3sc(Nc2cc(Cl)ccc2)[nH+]c3N
InChi:	InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)/p+1
Definition date:	2006-07-26
Last modified:	2011-06-04
Identifier:	4-amino-2-[(3-chlorophenyl)amino]-5-[(4-fluorophenyl)carbonyl]-1,3-thiazol-3-ium

S4A

S4A
Name:	2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
Formula:	C10 H14 N5 O5 P S
SMILES:	O=P(O)(O)OCC3SC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(22-7)2-20-21(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)

BRT

BRT
Name:	5-BROMONICOTINAMIDE
Formula:	C6 H5 Br N2 O
SMILES:	O=C(c1cncc(Br)c1)N
InChi:	InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
Definition date:	2002-04-15
Last modified:	2011-06-04
Identifier:	5-bromopyridine-3-carboxamide

BRU

BRU
Name:	5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C9 H12 Br N2 O8 P
SMILES:	BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)

S4C

S4C
Name:	4'-THIO-4'-DEOXY-CYTOSINE-5'-MONOPHOSPHATE
Formula:	C9 H14 N3 O7 P S
SMILES:	O=C1N=C(N)C=CN1C2SC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(21-8)3-19-20(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2005-07-01
Last modified:	2011-06-04
Identifier:	4'-thiocytidine 5'-(dihydrogen phosphate)

BRX

BRX
Name:	BROMAMPHENICOL
Formula:	C11 H12 Br2 N2 O5
SMILES:	BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
InChi:	InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
Definition date:	2008-08-28
Last modified:	2011-06-04
Identifier:	2,2-dibromo-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide

BRY

BRY
Name:	(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE
Formula:	C16 H9 Br N2 O2
SMILES:	O=C/4c1ccccc1NC4=C3/c2cc(Br)ccc2NC3=O
InChi:	InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-
Definition date:	2005-01-10
Last modified:	2011-06-04
Identifier:	(2Z)-5'-bromo-2,3'-biindole-2',3(1H,1'H)-dione

S4G

S4G
Name:	2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
Formula:	C10 H14 N5 O6 P S
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3SC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-21-22(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)

BS1

BS1
Name:	(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
Formula:	C24 H30 N O
SMILES:	O(C3c1ccccc1CCc2ccccc23)C5CC4[N+](C)(C(CC4)C5)C
InChi:	InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21-
Definition date:	2009-01-16
Last modified:	2011-06-04
Identifier:	(3-exo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane

BS2

BS2
Name:	(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
Formula:	C29 H32 N O
SMILES:	O(C3c1ccccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(CC5)C6
InChi:	InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2/p+1/t24-,25+,26+
Definition date:	2009-01-16
Last modified:	2011-06-04
Identifier:	(3-endo,8-anti)-8-benzyl-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-azoniabicyclo[3.2.1]octane

S4M

S4M
Name:	5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE
Formula:	C14 H24 N6 O3 S
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(CCCN)C)N
InChi:	InChI=1S/C14H24N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22,24H,2-5,15H2,1H3,(H2,16,17,18)/t8-,10-,11-,14-/m1/s1
Definition date:	2006-11-29
Last modified:	2011-06-04
Identifier:	5'-[(S)-(3-aminopropyl)(methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine

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