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BSA

BSA
Name:	2-(BENZOYLAMINO)ETHANESULFONIC ACID
Formula:	C9 H11 N O4 S
SMILES:	O=C(NCCS(=O)(=O)O)c1ccccc1
InChi:	InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14)
Definition date:	2005-02-11
Last modified:	2011-06-04
Identifier:	2-[(phenylcarbonyl)amino]ethanesulfonic acid

BSB

BSB
Name:	N-BENZYL-4-SULFAMOYL-BENZAMIDE
Formula:	C14 H14 N2 O3 S
SMILES:	O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2
InChi:	InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
Definition date:	2000-10-30
Last modified:	2011-06-04
Identifier:	N-benzyl-4-sulfamoylbenzamide

BSF

BSF
Name:	{[(benzylsulfonyl)amino]methyl}boronic acid
Formula:	C8 H12 B N O4 S
SMILES:	O=S(=O)(NCB(O)O)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	{[(benzylsulfonyl)amino]methyl}boronic acid

BSG

BSG
Name:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Formula:	C9 H12 B N O6 S
SMILES:	O=S(=O)(NCB(O)O)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-7(2-4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid

BSH

BSH
Name:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
Formula:	C16 H18 B N O6 S
SMILES:	O=S(=O)(NC(B(O)O)Cc1cccc(C(=O)O)c1)Cc2ccccc2
InChi:	InChI=1S/C16H18BNO6S/c19-16(20)14-8-4-7-13(9-14)10-15(17(21)22)18-25(23,24)11-12-5-2-1-3-6-12/h1-9,15,18,21-22H,10-11H2,(H,19,20)/t15-/m0/s1
Definition date:	2010-08-03
Last modified:	2011-06-04
Identifier:	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid

BSI

BSI
Name:	2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Formula:	C22 H19 N O4 S
SMILES:	O=S(=O)(c2ccc(c1ccccc1)cc2)N4C(C(=O)O)Cc3c(cccc3)C4
InChi:	InChI=1S/C22H19NO4S/c24-22(25)21-14-18-8-4-5-9-19(18)15-23(21)28(26,27)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1
Definition date:	1999-08-04
Last modified:	2011-06-04
Identifier:	(3R)-2-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

BSJ

BSJ
Name:	(3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C36 H62 N11 O23 P3 S
SMILES:	O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)N=C/CSCCC(=O)NCC3OC(OC2C(O)C(O)C(N)CC2N)C(N)C(O)C3O)n4c5ncnc(N)c5nc4
InChi:	InChI=1S/C36H62N11O23P3S/c1-36(2,12-65-73(62,63)70-72(60,61)64-11-18-29(69-71(57,58)59)27(54)34(66-18)47-14-46-22-31(40)44-13-45-32(22)47)30(55)33(56)42-5-3-19(48)41-6-8-74-7-4-20(49)43-10-17-24(51)25(52)21(39)35(67-17)68-28-16(38)9-15(37)23(50)26(28)53/h6,13-18,21,23-30,34-35,50-55H,3-5,7-12,37-39H2,1-2H3,(H,42,56)(H,43,49)(H,60,61)(H,62,63)(H2,40,44,45)(H2,57,58,59)/b41-6-/t15-,16+,17-,18-,21-,23+,24-,25-,26-,27-,28-,29-,30+,34-,35-/m1/s1
Definition date:	2007-09-14
Last modified:	2011-06-04
Identifier:	(3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

S55

S55
Name:	METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
Formula:	C27 H36 N2 O9
SMILES:	O=C(OC)C2=COC(OC1OC(C(O)C(O)C1O)CO)C(CC)C2CC5c4nc3ccccc3c4CCN5
InChi:	InChI=1S/C27H36N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h4-7,12-13,16,19-20,22-24,26-33H,3,8-11H2,1-2H3/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
Definition date:	2007-01-26
Last modified:	2011-06-04
Identifier:	methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate

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

BT1

BT1
Name:	{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE
Formula:	C32 H35 N3 O3 S
SMILES:	O=C(c1c4ccccc4sc1c3ccc(OCCN2CCCC2)cc3)c6ccc(OCCN5CCCC5)nc6
InChi:	InChI=1S/C32H35N3O3S/c36-31(25-11-14-29(33-23-25)38-22-20-35-17-5-6-18-35)30-27-7-1-2-8-28(27)39-32(30)24-9-12-26(13-10-24)37-21-19-34-15-3-4-16-34/h1-2,7-14,23H,3-6,15-22H2
Definition date:	1999-10-11
Last modified:	2011-06-04
Identifier:	{2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl}[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]methanone

BT2

BT2
Name:	3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE
Formula:	C33 H38 N2 O2 S
SMILES:	O(c1ccc(cc1)Cc2c5ccccc5sc2c4ccc(OCCN3CCCC3)cc4)CCN6CCCC6
InChi:	InChI=1S/C33H38N2O2S/c1-2-8-32-30(7-1)31(25-26-9-13-28(14-10-26)36-23-21-34-17-3-4-18-34)33(38-32)27-11-15-29(16-12-27)37-24-22-35-19-5-6-20-35/h1-2,7-16H,3-6,17-25H2
Definition date:	1999-10-11
Last modified:	2011-06-04
Identifier:	1-[2-(4-{3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-1-benzothiophen-2-yl}phenoxy)ethyl]pyrrolidine

BT6

BT6
Name:	benzenethiol
Formula:	C6 H6 S
SMILES:	Sc1ccccc1
InChi:	InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
Definition date:	2009-06-11
Last modified:	2011-06-04
Identifier:	benzenethiol

BTD

BTD
Name:	5-BROMOTHIENYLDEOXYURIDINE
Formula:	C13 H13 Br N2 O5 S
SMILES:	Brc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(CO)C(O)C2)cc3
InChi:	InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-(5-bromothiophen-2-yl)-2'-deoxyuridine

S5S

S5S
Name:	2-sulfanyl-2lambda~4~-tetrasulfane
Formula:	H4 S5
SMILES:	SS[SH](S)S
InChi:	InChI=1S/H4S5/c1-4-5(2)3/h1-3,5H
Definition date:	2009-11-18
Last modified:	2011-06-04

BTM

BTM
Name:	N-benzyl-N,N-diethylethanaminium
Formula:	C13 H22 N
SMILES:	c1ccccc1C[N+](CC)(CC)CC
InChi:	InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
Definition date:	2008-03-06
Last modified:	2011-06-04
Identifier:	N-benzyl-N,N-diethylethanaminium

BTO

BTO
Name:	4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
Formula:	C12 H11 N3 O5
SMILES:	[O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O
InChi:	InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)
Definition date:	2006-10-04
Last modified:	2011-06-04
Identifier:	4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

BTP

BTP
Name:	2-THIOMETHYL-3-PHENYLPROPANOIC ACID
Formula:	C10 H12 O2 S
SMILES:	O=C(O)C(CS)Cc1ccccc1
InChi:	InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-benzyl-3-sulfanylpropanoic acid

BTS

BTS
Name:	3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID
Formula:	C10 H11 N O3 S3
SMILES:	O=S(=O)(O)CCCSc1nc2ccccc2s1
InChi:	InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)
Definition date:	2004-03-29
Last modified:	2011-06-04
Identifier:	3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

BTT

BTT
Name:	BENZENE-1,2,4,5-TETROL
Formula:	C6 H6 O4
SMILES:	Oc1c(O)cc(O)c(O)c1
InChi:	InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
Definition date:	2004-07-30
Last modified:	2011-06-04
Identifier:	benzene-1,2,4,5-tetrol

BU4

BU4
Name:	(3R)-butane-1,3-diol
Formula:	C4 H10 O2
SMILES:	C[CH](O)CCO
InChi:	InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
Definition date:	2010-02-18
Last modified:	2011-06-04
Identifier:	(3R)-butane-1,3-diol

S79

S79
Name:	6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C20 H16 N6 O
SMILES:	O=C1NC(=Nc3c1cc2nc(nc2c3)NCc5c4ccccc4ccc5)N
InChi:	InChI=1S/C20H16N6O/c21-19-23-15-9-17-16(8-14(15)18(27)26-19)24-20(25-17)22-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H2,22,24,25)(H3,21,23,26,27)
Definition date:	2007-08-23
Last modified:	2011-06-04
Identifier:	6-amino-2-[(naphthalen-1-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

BVD

BVD
Name:	5-BROMOVINYLDEOXYURIDINE
Formula:	C11 H13 Br N2 O5
SMILES:	Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO
InChi:	InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-[(E)-2-bromoethenyl]-2'-deoxyuridine

BVG

BVG
Name:	1H-IMIDAZOL-2-YLMETHANOL
Formula:	C4 H6 N2 O
SMILES:	OCc1nccn1
InChi:	InChI=1S/C4H6N2O/c7-3-4-5-1-2-6-4/h1-2,7H,3H2,(H,5,6)
Definition date:	2005-11-08
Last modified:	2011-06-04
Identifier:	1H-imidazol-2-ylmethanol

CNI

CNI
Name:	7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile
Formula:	C9 H2 N4 O4
SMILES:	[O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1
InChi:	InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H
Definition date:	2007-11-08
Last modified:	2011-06-04
Identifier:	7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile

CO7

CO7
Name:	S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate
Formula:	C25 H40 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O)/C=C/C
InChi:	InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1
Definition date:	2007-11-08
Last modified:	2011-06-04
Identifier:	S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-but-2-enethioate (non-preferred name)

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