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GLH

GLH
Name:	N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINE
Formula:	C18 H31 N3 O4
SMILES:	O=C(NC1CCCCC1)N(C(=O)CCC(C(=O)O)N)C2CCCCC2
InChi:	InChI=1S/C18H31N3O4/c19-15(17(23)24)11-12-16(22)21(14-9-5-2-6-10-14)18(25)20-13-7-3-1-4-8-13/h13-15H,1-12,19H2,(H,20,25)(H,23,24)/t15-/m0/s1
Definition date:	2000-08-29
Last modified:	2012-08-13
Identifier:	N-cyclohexyl-N-(cyclohexylcarbamoyl)-L-glutamine

W61

W61
Name:	1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone
Formula:	C22 H26 F3 N5 O S
SMILES:	O=C(N1CCSC1)C5NCC(N4CCN(c2c3ccccc3nc(c2)C(F)(F)F)CC4)C5
InChi:	InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1
Definition date:	2011-11-08
Last modified:	2012-08-10
Identifier:	1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone

9MX

9MX
Name:	(R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid
Formula:	C28 H38 N6 O6 S
SMILES:	O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CC(=O)NCC4CCCN(C(=[N@H])N)C4
InChi:	InChI=1S/C28H38N6O6S/c1-18-10-12-34(24(13-18)27(37)38)26(36)23(15-25(35)31-16-19-5-4-11-33(17-19)28(29)30)32-41(39,40)22-9-8-20-6-2-3-7-21(20)14-22/h2-3,6-9,14,18-19,23-24,32H,4-5,10-13,15-17H2,1H3,(H3,29,30)(H,31,35)(H,37,38)/t18-,19+,23+,24-/m1/s1
Definition date:	2012-06-24
Last modified:	2012-08-10
Identifier:	(2R,4R)-1-[N-{[(3S)-1-carbamimidoylpiperidin-3-yl]methyl}-N~2~-(naphthalen-2-ylsulfonyl)-L-asparaginyl]-4-methylpiperidine-2-carboxylic acid

0WC

0WC
Name:	(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
Formula:	C19 H16 Cl N5 O S
SMILES:	Clc1cnc(nc1N4c3c(ccc(C#CC(O)(c2nccs2)C)c3)CC4)N
InChi:	InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)/t19-/m1/s1
Definition date:	2012-08-07
Last modified:	2012-08-10
Identifier:	(2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

0WS

0WS
Name:	2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid
Formula:	C9 H7 N3 O2
SMILES:	O=C(O)c2ccnc(c1nncc1)c2
InChi:	InChI=1S/C9H7N3O2/c13-9(14)6-1-3-10-8(5-6)7-2-4-11-12-7/h1-5H,(H,11,12)(H,13,14)
Definition date:	2012-08-01
Last modified:	2012-08-10
Identifier:	2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid

FN5

FN5
Name:	CMP-3F(a)-Neu5Ac
Formula:	C19 H30 F N4 O14 P
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)OC3OC(C(NC(=O)C)C(O)C3F)C(O)C(O)CO
InChi:	InChI=1S/C19H30FN4O14P/c1-6(26)22-11-14(30)10(20)18(37-16(11)12(28)7(27)4-25)38-39(33,34)35-5-8-13(29)15(31)17(36-8)24-3-2-9(21)23-19(24)32/h2-3,7-8,10-18,25,27-31H,4-5H2,1H3,(H,22,26)(H,33,34)(H2,21,23,32)/t7-,8-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1
Definition date:	2011-06-15
Last modified:	2012-08-10
Identifier:	(2S,3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)

4TT

4TT
Name:	4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole
Formula:	C14 H13 N3
SMILES:	n4cc3c(c2c(c1ccccc1n2)CCC3)n4
InChi:	InChI=1S/C14H13N3/c1-2-7-12-10(5-1)11-6-3-4-9-8-15-17-13(9)14(11)16-12/h1-2,5,7-8,16H,3-4,6H2,(H,15,17)
Definition date:	2011-11-11
Last modified:	2012-08-10
Identifier:	4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole

06Y

06Y
Name:	2-phenoxyethanoic acid
Formula:	C8 H8 O3
SMILES:	O=C(O)COc1ccccc1
InChi:	InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
Definition date:	2011-09-19
Last modified:	2012-08-10
Identifier:	phenoxyacetic acid

070

070
Name:	(1R,2S)-2-azanyl-3-phenyl-1-[(2R,3R)-3-(phenylmethyl)oxiran-2-yl]propan-1-ol
Formula:	C18 H21 N O2
SMILES:	OC(C2OC2Cc1ccccc1)C(N)Cc3ccccc3
InChi:	InChI=1S/C18H21NO2/c19-15(11-13-7-3-1-4-8-13)17(20)18-16(21-18)12-14-9-5-2-6-10-14/h1-10,15-18,20H,11-12,19H2/t15-,16+,17+,18-/m0/s1
Definition date:	2011-09-19
Last modified:	2012-08-10
Identifier:	2-amino-4,5-anhydro-1,2,6-trideoxy-1,6-diphenyl-D-galactitol

076

076
Name:	(S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
Formula:	C31 H36 N2 O5
SMILES:	O=C(NC(C(=O)NC(C(O)C2OC2Cc1ccccc1)Cc3ccccc3)C(C)C)COc4ccccc4
InChi:	InChI=1S/C31H36N2O5/c1-21(2)28(33-27(34)20-37-24-16-10-5-11-17-24)31(36)32-25(18-22-12-6-3-7-13-22)29(35)30-26(38-30)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35H,18-20H2,1-2H3,(H,32,36)(H,33,34)/t25-,26+,28-,29+,30-/m0/s1
Definition date:	2011-09-19
Last modified:	2012-08-10
Identifier:	4,5-anhydro-1,2,6-trideoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-galactitol

078

078
Name:	(2R,3R,4R,5S)-3,5-bis(azanyl)-1,6-diphenyl-hexane-2,4-diol
Formula:	C18 H24 N2 O2
SMILES:	OC(Cc1ccccc1)C(N)C(O)C(N)Cc2ccccc2
InChi:	InChI=1S/C18H24N2O2/c19-15(11-13-7-3-1-4-8-13)18(22)17(20)16(21)12-14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12,19-20H2/t15-,16+,17+,18+/m0/s1
Definition date:	2011-09-19
Last modified:	2012-08-10
Identifier:	2,4-diamino-1,2,4,6-tetradeoxy-1,6-diphenyl-D-glucitol

079

079
Name:	(S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
Formula:	C31 H39 N3 O5
SMILES:	O=C(NC(Cc1ccccc1)C(O)C(N)C(O)Cc2ccccc2)C(NC(=O)COc3ccccc3)C(C)C
InChi:	InChI=1S/C31H39N3O5/c1-21(2)29(34-27(36)20-39-24-16-10-5-11-17-24)31(38)33-25(18-22-12-6-3-7-13-22)30(37)28(32)26(35)19-23-14-8-4-9-15-23/h3-17,21,25-26,28-30,35,37H,18-20,32H2,1-2H3,(H,33,38)(H,34,36)/t25-,26+,28+,29-,30+/m0/s1
Definition date:	2011-09-19
Last modified:	2012-08-10
Identifier:	4-amino-1,2,4,6-tetradeoxy-2-{[N-(phenoxyacetyl)-L-valyl]amino}-1,6-diphenyl-D-glucitol

FUR

FUR
Name:	Furazolidone
Formula:	C8 H5 N3 O5
SMILES:	O=C2OC=CN2/N=C/c1oc([N+]([O-])=O)cc1
InChi:	InChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+
Definition date:	2003-01-21
Last modified:	2012-08-08
Identifier:	3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2(3H)-one

X11

X11
Name:	2-(4,6-diamino-1,3,5-triazin-2-yl)phenol
Formula:	C9 H9 N5 O
SMILES:	n1c(nc(nc1c2c(O)cccc2)N)N
InChi:	InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-3-1-2-4-6(5)15/h1-4,15H,(H4,10,11,12,13,14)
Definition date:	2011-02-17
Last modified:	2012-08-03
Identifier:	2-(4,6-diamino-1,3,5-triazin-2-yl)phenol

X14

X14
Name:	(5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Formula:	C20 H28 N4 O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CNC(=O)c2c3c(nn2)CCC(C3)C(C)(C)CC
InChi:	InChI=1S/C20H28N4O3S/c1-4-20(2,3)14-7-10-17-16(11-14)18(24-23-17)19(25)22-12-13-5-8-15(9-6-13)28(21,26)27/h5-6,8-9,14H,4,7,10-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)/t14-/m1/s1
Definition date:	2011-02-22
Last modified:	2012-08-03
Identifier:	(5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

X19

X19
Name:	(5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
Formula:	C14 H23 N3 O
SMILES:	O=C(c1c2c(nn1)CCC(C2)C(C)(C)CC)NC
InChi:	InChI=1S/C14H23N3O/c1-5-14(2,3)9-6-7-11-10(8-9)12(17-16-11)13(18)15-4/h9H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t9-/m0/s1
Definition date:	2011-02-22
Last modified:	2012-08-03
Identifier:	(5S)-N-methyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

Z02

Z02
Name:	5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide
Formula:	C13 H12 N4 O3
SMILES:	[O-][N+](=O)c2ccc(NCc1ncccc1)c(C(=O)N)c2
InChi:	InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)
Definition date:	2011-03-24
Last modified:	2012-08-03
Identifier:	5-nitro-2-[(pyridin-2-ylmethyl)amino]benzamide

Z04

Z04
Name:	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide
Formula:	C16 H19 N7 O4
SMILES:	[O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCOCC3
InChi:	InChI=1S/C16H19N7O4/c17-15(24)11-5-14(23(25)26)13(22-1-3-27-4-2-22)6-12(11)19-7-10-8-20-16(18)21-9-10/h5-6,8-9,19H,1-4,7H2,(H2,17,24)(H2,18,20,21)
Definition date:	2011-03-24
Last modified:	2012-08-03
Identifier:	2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide

Z14

Z14
Name:	4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
Formula:	C17 H22 N8 O3
SMILES:	[O-][N+](=O)c2cc(C(=O)N)c(NCc1cnc(nc1)N)cc2N3CCC(N)CC3
InChi:	InChI=1S/C17H22N8O3/c18-11-1-3-24(4-2-11)14-6-13(12(16(19)26)5-15(14)25(27)28)21-7-10-8-22-17(20)23-9-10/h5-6,8-9,11,21H,1-4,7,18H2,(H2,19,26)(H2,20,22,23)
Definition date:	2011-03-24
Last modified:	2012-08-03
Identifier:	4-(4-aminopiperidin-1-yl)-2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitrobenzamide

Z19

Z19
Name:	1H-indazole-3-carbohydrazide
Formula:	C8 H8 N4 O
SMILES:	O=C(c2nnc1ccccc12)NN
InChi:	InChI=1S/C8H8N4O/c9-10-8(13)7-5-3-1-2-4-6(5)11-12-7/h1-4H,9H2,(H,10,13)(H,11,12)
Definition date:	2011-03-25
Last modified:	2012-08-03
Identifier:	1H-indazole-3-carbohydrazide

Z20

Z20
Name:	(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one
Formula:	C16 H10 Cl N3 O4 S
SMILES:	[O-][N+](=O)c1c(O)ccc(c1)C=C3/S/C(=Nc2c(Cl)cccc2)NC3=O
InChi:	InChI=1S/C16H10ClN3O4S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(25-16)8-9-5-6-13(21)12(7-9)20(23)24/h1-8,21H,(H,18,19,22)/b14-8-
Definition date:	2012-04-27
Last modified:	2012-08-03
Identifier:	(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazolidin-4-one

Z30

Z30
Name:	(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
Formula:	C12 H20 N4 O
SMILES:	O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN
InChi:	InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1
Definition date:	2011-03-25
Last modified:	2012-08-03
Identifier:	(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

Z46

Z46
Name:	(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
Formula:	C11 H18 N4 O
SMILES:	O=C(c1nnc2c1CC(CC2)CCC)NN
InChi:	InChI=1S/C11H18N4O/c1-2-3-7-4-5-9-8(6-7)10(15-14-9)11(16)13-12/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1
Definition date:	2011-04-15
Last modified:	2012-08-03
Identifier:	(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

X4B

X4B
Name:	4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
Formula:	C13 H11 Cl N4 O3
SMILES:	[O-][N+](=O)c2c(Cl)cc(NCc1cccnc1)c(C(=O)N)c2
InChi:	InChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19)
Definition date:	2011-03-02
Last modified:	2012-08-03
Identifier:	4-chloro-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide

X62

X62
Name:	4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
Formula:	C12 H9 Cl2 N5 O3
SMILES:	Clc1ncc(cn1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N
InChi:	InChI=1S/C12H9Cl2N5O3/c13-8-2-9(7(11(15)20)1-10(8)19(21)22)16-3-6-4-17-12(14)18-5-6/h1-2,4-5,16H,3H2,(H2,15,20)
Definition date:	2011-03-02
Last modified:	2012-08-03
Identifier:	4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide

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