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22M

22M
Name:	2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE
Formula:	C16 H15 N3
SMILES:	[N@H]=C(c1ccc2c(c1)nc(c2)c3ccccc3C)N
InChi:	InChI=1S/C16H15N3/c1-10-4-2-3-5-13(10)15-8-11-6-7-12(16(17)18)9-14(11)19-15/h2-9,19H,1H3,(H3,17,18)
Definition date:	2006-03-16
Last modified:	2011-06-04
Identifier:	2-(2-methylphenyl)-1H-indole-6-carboximidamide

235

235
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
Formula:	C20 H27 N2 O6 P S
SMILES:	O=S(=O)(c1ccccc1)NC(C(C)C)P(=O)(O)CC(c2cccc(c2)CN)C(=O)O
InChi:	InChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-hydroxy{(1R)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid

23A

23A
Name:	2,3-DIHYDROXYBENZALDEHYDE
Formula:	C7 H6 O3
SMILES:	O=Cc1cccc(O)c1O
InChi:	InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
Definition date:	2006-08-04
Last modified:	2011-06-04
Identifier:	2,3-dihydroxybenzaldehyde

23C

23C
Name:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:	C22 H15 N O6
SMILES:	O=C(O)C(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
InChi:	InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
Definition date:	2007-12-17
Last modified:	2011-06-04
Identifier:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

23G

23G
Name:	GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
Formula:	C10 H13 N5 O10 P2
SMILES:	O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N
InChi:	InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1
Definition date:	2009-09-09
Last modified:	2011-06-04
Identifier:	[(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate

23N

23N
Name:	(2R)-2-benzyl-3-nitropropanoic acid
Formula:	C10 H11 N O4
SMILES:	[O-][N+](=O)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-3-nitropropanoic acid

23R

23R
Name:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
Formula:	C29 H46 O4
SMILES:	OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)C(C)C(O)C2)CCCC34C)(C)C
InChi:	InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10-/t19-,20+,23-,24+,25-,26+,28-,29-/m0/s1
Definition date:	2009-06-25
Last modified:	2011-06-04
Identifier:	(1S,2S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-2-methyl-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol

23U

23U
Name:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
Formula:	C27 H28 Cl N3 O2
SMILES:	O=C(NCc1cccc(Cl)c1)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4
InChi:	InChI=1S/C27H28ClN3O2/c28-22-14-7-9-19(17-22)18-30-26(32)23-15-8-16-31(23)27(33)25(29)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-14,17,23-25H,8,15-16,18,29H2,(H,30,32)/t23-,25+/m0/s1
Definition date:	2008-06-19
Last modified:	2011-06-04
Identifier:	beta-phenyl-D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide

244

244
Name:	[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
Formula:	C16 H11 N O3
SMILES:	N#CCc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
InChi:	InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2
Definition date:	2004-08-18
Last modified:	2011-06-04
Identifier:	[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile

245

245
Name:	1-(2-chloropyridin-4-yl)-3-phenylurea
Formula:	C12 H10 Cl N3 O
SMILES:	Clc2nccc(NC(=O)Nc1ccccc1)c2
InChi:	InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
Definition date:	2007-08-06
Last modified:	2011-06-04
Identifier:	1-(2-chloropyridin-4-yl)-3-phenylurea

246

246
Name:	1-benzyl-3-(2-chloropyridin-4-yl)urea
Formula:	C13 H12 Cl N3 O
SMILES:	Clc2nccc(NC(=O)NCc1ccccc1)c2
InChi:	InChI=1S/C13H12ClN3O/c14-12-8-11(6-7-15-12)17-13(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16,17,18)
Definition date:	2007-08-06
Last modified:	2011-06-04
Identifier:	1-benzyl-3-(2-chloropyridin-4-yl)urea

247

247
Name:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H9 F2 N O3
SMILES:	O=C(O)C(F)(F)C(N)c1ccc(O)cc1
InChi:	InChI=1S/C9H9F2NO3/c10-9(11,8(14)15)7(12)5-1-3-6(13)4-2-5/h1-4,7,13H,12H2,(H,14,15)/t7-/m1/s1
Definition date:	2007-09-14
Last modified:	2011-06-04
Identifier:	(3R)-3-amino-2,2-difluoro-3-(4-hydroxyphenyl)propanoic acid

24I

24I
Name:	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
Formula:	C13 H16 I O6 P
SMILES:	Ic1ccc(cc1)CP(=O)(O)CC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C13H16IO6P/c14-11-4-1-9(2-5-11)7-21(19,20)8-10(13(17)18)3-6-12(15)16/h1-2,4-5,10H,3,6-8H2,(H,15,16)(H,17,18)(H,19,20)/t10-/m1/s1
Definition date:	2005-11-09
Last modified:	2011-06-04
Identifier:	(2S)-2-{[(R)-hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid

24P

24P
Name:	(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine
Formula:	C18 H21 N O
SMILES:	O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3
InChi:	InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1
Definition date:	2008-12-11
Last modified:	2011-06-04
Identifier:	(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine

251

251
Name:	N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
Formula:	C19 H18 N4 O
SMILES:	O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
InChi:	InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
Definition date:	2007-09-11
Last modified:	2011-06-04
Identifier:	N-carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide

258

258
Name:	(2-chloroethoxy)benzene
Formula:	C8 H9 Cl O
SMILES:	2-chloroethyl phenyl ether
InChi:	InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
Definition date:	2007-10-01
Last modified:	2011-06-04
Identifier:	(2-chloroethoxy)benzene

25A

25A
Name:	5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE
Formula:	C30 H38 N15 O19 P3
SMILES:	O=P(O)(O)OCC9OC(n1c2ncnc(N)c2nc1)C(OP(=O)(O)OCC8OC(n4cnc3c(ncnc34)N)C(OP(=O)(O)OCC7OC(n5c6ncnc(N)c6nc5)C(O)C7O)C8O)C9O
InChi:	InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1
Definition date:	2004-05-23
Last modified:	2011-06-04
Identifier:	[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

25D

25D
Name:	2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine
Formula:	C30 H35 N3 O4
SMILES:	O=C(Nc1c(cc(cc1C)C)C)Nc3cc4c(cc3C(=O)NC(C(=O)O)(C)C2CCCCC2)cccc4
InChi:	InChI=1S/C30H35N3O4/c1-18-14-19(2)26(20(3)15-18)32-29(37)31-25-17-22-11-9-8-10-21(22)16-24(25)27(34)33-30(4,28(35)36)23-12-6-5-7-13-23/h8-11,14-17,23H,5-7,12-13H2,1-4H3,(H,33,34)(H,35,36)(H2,31,32,37)/t30-/m0/s1
Definition date:	2008-06-10
Last modified:	2011-06-04
Identifier:	2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine

260

260
Name:	2-(bromomethyl)-1,3-difluorobenzene
Formula:	C7 H5 Br F2
SMILES:	BrCc1c(F)cccc1F
InChi:	InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
Definition date:	2007-10-02
Last modified:	2011-06-04
Identifier:	2-(bromomethyl)-1,3-difluorobenzene

264

264
Name:	(phenylamino)acetonitrile
Formula:	C8 H8 N2
SMILES:	N#CCNc1ccccc1
InChi:	InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2
Definition date:	2007-10-02
Last modified:	2011-06-04
Identifier:	(phenylamino)acetonitrile

265

265
Name:	2-nitrothiophene
Formula:	C4 H3 N O2 S
SMILES:	[O-][N+](=O)c1sccc1
InChi:	InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H
Definition date:	2007-10-02
Last modified:	2011-06-04
Identifier:	2-nitrothiophene

268

268
Name:	2-phenoxyethanol
Formula:	C8 H10 O2
SMILES:	O(c1ccccc1)CCO
InChi:	InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Definition date:	2007-10-02
Last modified:	2011-06-04
Identifier:	2-phenoxyethanol

269

269
Name:	(1R)-3-chloro-1-phenylpropan-1-ol
Formula:	C9 H11 Cl O
SMILES:	ClCCC(O)c1ccccc1
InChi:	InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
Definition date:	2007-10-02
Last modified:	2011-06-04
Identifier:	(1R)-3-chloro-1-phenylpropan-1-ol

26A

26A
Name:	6N-DIMETHYLADENOSINE
Formula:	C12 H17 N5 O4
SMILES:	n2c1c(ncnc1N(C)C)n(c2)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3/t6-,8-,9-,12-/m1/s1
Definition date:	2005-07-28
Last modified:	2011-06-04
Identifier:	N,N-dimethyladenosine

26B

26B
Name:	O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine
Formula:	C29 H35 N3 O5
SMILES:	O=C(Nc1c(cc(cc1C)C)C)Nc3cc2ccccc2cc3C(=O)NC(C(=O)O)C(OC(C)(C)C)C
InChi:	InChI=1S/C29H35N3O5/c1-16-12-17(2)24(18(3)13-16)32-28(36)30-23-15-21-11-9-8-10-20(21)14-22(23)26(33)31-25(27(34)35)19(4)37-29(5,6)7/h8-15,19,25H,1-7H3,(H,31,33)(H,34,35)(H2,30,32,36)/t19-,25+/m1/s1
Definition date:	2008-06-10
Last modified:	2011-06-04
Identifier:	O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-L-threonine

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