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31V

31V
Name:	N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Formula:	C27 H26 N8 O2
SMILES:	O=C(Nc2cc(nn2c1ccccc1)C3CC3)Cn6nnc(c5ccc(n4cc(nc4)C)c(OC)c5)c6
InChi:	InChI=1S/C27H26N8O2/c1-18-14-33(17-28-18)24-11-10-20(12-25(24)37-2)23-15-34(32-30-23)16-27(36)29-26-13-22(19-8-9-19)31-35(26)21-6-4-3-5-7-21/h3-7,10-15,17,19H,8-9,16H2,1-2H3,(H,29,36)
Definition date:	2014-05-22
Last modified:	2014-09-05
Release date:	2014-06-18
Identifier:	N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide

31W

31W
Name:	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Formula:	C21 H18 F3 N3 O2 S
SMILES:	FC(F)(F)Oc1ccc(cc1)NC(=O)N(C2CC2)Cc3cccc(c3)c4nccs4
InChi:	InChI=1S/C21H18F3N3O2S/c22-21(23,24)29-18-8-4-16(5-9-18)26-20(28)27(17-6-7-17)13-14-2-1-3-15(12-14)19-25-10-11-30-19/h1-5,8-12,17H,6-7,13H2,(H,26,28)
Definition date:	2014-05-22
Last modified:	2014-09-05
Release date:	2014-06-18
Identifier:	1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea

31X

31X
Name:	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Formula:	C27 H18 N4 O3
SMILES:	O=C(O)c1cc6c(n1Cc2nc(on2)c3ccccc3)ccnc6c5c4ccccc4ccc5
InChi:	InChI=1S/C27H18N4O3/c32-27(33)23-15-21-22(31(23)16-24-29-26(34-30-24)18-8-2-1-3-9-18)13-14-28-25(21)20-12-6-10-17-7-4-5-11-19(17)20/h1-15H,16H2,(H,32,33)
Definition date:	2014-05-22
Last modified:	2014-09-05
Release date:	2014-06-18
Identifier:	4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

31Y

31Y
Name:	N~4~-[4-(morpholin-4-yl)phenyl]-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Formula:	C23 H23 N7 O
SMILES:	n1cccc(c1)CNc5nc2c(ncnc2Nc4ccc(N3CCOCC3)cc4)cc5
InChi:	InChI=1S/C23H23N7O/c1-2-17(14-24-9-1)15-25-21-8-7-20-22(29-21)23(27-16-26-20)28-18-3-5-19(6-4-18)30-10-12-31-13-11-30/h1-9,14,16H,10-13,15H2,(H,25,29)(H,26,27,28)
Definition date:	2014-05-22
Last modified:	2014-09-05
Release date:	2014-06-18
Identifier:	N~4~-[4-(morpholin-4-yl)phenyl]-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine

32D

32D
Name:	(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine
Formula:	C24 H16 F3 N5
SMILES:	FC(F)c1nccc(c1)C3(N=C(c2c(F)cccc23)N)c5cccc(c4cncnc4)c5
InChi:	InChI=1S/C24H16F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22H,(H2,28,32)/t24-/m0/s1
Definition date:	2012-06-28
Last modified:	2014-09-05
Release date:	2012-10-12
Identifier:	(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-[3-(pyrimidin-5-yl)phenyl]-1H-isoindol-3-amine

32F

32F
Name:	2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid
Formula:	C16 H12 N2 O4
SMILES:	O=C(O)COc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChi:	InChI=1S/C16H12N2O4/c19-14(20)9-22-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16(21)18-15/h1-8H,9H2,(H,19,20)(H,17,18,21)
Definition date:	2013-06-24
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenoxy]acetic acid

32W

32W
Name:	N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Formula:	C23 H21 N5 O2
SMILES:	O=C(NCCOC)c1ccc(cc1)Nc4nc2c(cc(cc2)c3ccncc3)cn4
InChi:	InChI=1S/C23H21N5O2/c1-30-13-12-25-22(29)17-2-5-20(6-3-17)27-23-26-15-19-14-18(4-7-21(19)28-23)16-8-10-24-11-9-16/h2-11,14-15H,12-13H2,1H3,(H,25,29)(H,26,27,28)
Definition date:	2012-09-19
Last modified:	2014-09-05
Release date:	2013-02-22
Identifier:	N-(2-methoxyethyl)-4-{[6-(pyridin-4-yl)quinazolin-2-yl]amino}benzamide

15F

15F
Name:	1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM
Formula:	C15 H14 Cl3 N2 O
SMILES:	ClC(Cl)(Cl)C(OCc1cc[n+](cc1)Cc2ccccc2)=[N@H]
InChi:	InChI=1S/C15H14Cl3N2O/c16-15(17,18)14(19)21-11-13-6-8-20(9-7-13)10-12-4-2-1-3-5-12/h1-9,19H,10-11H2/q+1/b19-14-
Definition date:	2012-07-04
Last modified:	2014-09-05
Release date:	2012-08-24
Identifier:	1-benzyl-4-({[(1Z)-2,2,2-trichloroethanimidoyl]oxy}methyl)pyridinium

33R

33R
Name:	(2E)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
Formula:	C18 H12 Cl2 N4 O4 S
SMILES:	O=N(=O)c1ccccc1CC(=N/Nc2nc(cs2)c3ccc(Cl)c(Cl)c3)C(=O)O
InChi:	InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+
Definition date:	2014-06-10
Last modified:	2014-09-05
Release date:	2014-08-13
Identifier:	(2E)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid

34J

34J
Name:	(2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid
Formula:	C18 H15 Cl2 N5 O4 S
SMILES:	O=N(=O)c1c(N)ccc(c1)CC(NNc2nc(cs2)c3ccc(Cl)c(Cl)c3)C(=O)O
InChi:	InChI=1S/C18H15Cl2N5O4S/c19-11-3-2-10(7-12(11)20)15-8-30-18(22-15)24-23-14(17(26)27)5-9-1-4-13(21)16(6-9)25(28)29/h1-4,6-8,14,23H,5,21H2,(H,22,24)(H,26,27)/t14-/m0/s1
Definition date:	2014-06-16
Last modified:	2014-09-05
Release date:	2014-08-13
Identifier:	(2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid

34K

34K
Name:	(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
Formula:	C18 H13 Br N4 O4 S
SMILES:	O=N(=O)c1ccccc1CC(=N/Nc2nc(cs2)c3ccc(Br)cc3)C(=O)O
InChi:	InChI=1S/C18H13BrN4O4S/c19-13-7-5-11(6-8-13)15-10-28-18(20-15)22-21-14(17(24)25)9-12-3-1-2-4-16(12)23(26)27/h1-8,10H,9H2,(H,20,22)(H,24,25)/b21-14+
Definition date:	2014-06-16
Last modified:	2014-09-05
Release date:	2014-08-13
Identifier:	(2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid

16I

16I
Name:	N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE
Formula:	C19 H13 N3 O2 S
SMILES:	O=C(Nc3ccc(C2=Nc1ccccc1C(=O)N2)cc3)c4sccc4
InChi:	InChI=1S/C19H13N3O2S/c23-18-14-4-1-2-5-15(14)21-17(22-18)12-7-9-13(10-8-12)20-19(24)16-6-3-11-25-16/h1-11H,(H,20,24)(H,21,22,23)
Definition date:	2013-06-24
Last modified:	2014-09-05
Release date:	2013-10-30
Identifier:	N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide

34X

34X
Name:	1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA
Formula:	C16 H14 F N5 O
SMILES:	O=C(Nn1cc(nc1N)c2ccccc2)Nc3ccccc3F
InChi:	InChI=1S/C16H14FN5O/c17-12-8-4-5-9-13(12)20-16(23)21-22-10-14(19-15(22)18)11-6-2-1-3-7-11/h1-10H,(H2,18,19)(H2,20,21,23)
Definition date:	2013-05-18
Last modified:	2014-09-05
Release date:	2013-09-18
Identifier:	1-(2-amino-4-phenyl-1H-imidazol-1-yl)-3-(2-fluorophenyl)urea

1GZ

1GZ
Name:	methylthioacryloyl-CoA
Formula:	C25 H40 N7 O17 P3 S2
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=CSC
InChi:	InChI=1S/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1
Definition date:	2013-02-01
Last modified:	2014-09-05
Release date:	2013-06-05
Identifier:	S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(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)-3-(methylsulfanyl)prop-2-enethioate (non-preferred name)

LOZ

LOZ
Name:	5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
Formula:	C22 H24 N2 O5
SMILES:	O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCN
InChi:	InChI=1S/C22H24N2O5/c23-9-3-6-19(25)24-17-11-13-4-1-2-5-15(13)16(17)10-14-7-8-18-21(29-12-28-18)20(14)22(26)27/h1-2,4-5,7-8,16-17H,3,6,9-12,23H2,(H,24,25)(H,26,27)/t16-,17+/m0/s1
Definition date:	2013-11-25
Last modified:	2014-09-05
Release date:	2013-12-04
Identifier:	5-({(1S,2R)-2-[(4-aminobutanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid

LR1

LR1
Name:	(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
Formula:	C13 H18 Br N O4
SMILES:	Brc1ccc(cc1)CNC2C(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H18BrNO4/c14-8-3-1-7(2-4-8)5-15-10-9(6-16)11(17)13(19)12(10)18/h1-4,9-13,15-19H,5-6H2/t9-,10+,11+,12-,13-/m0/s1
Definition date:	2013-01-17
Last modified:	2014-09-05
Release date:	2014-02-05
Identifier:	(1R,2S,3S,4R,5R)-4-[(4-bromobenzyl)amino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol

LTI

LTI
Name:	(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
Formula:	C16 H18 N4 O2 S2
SMILES:	O=C(/N=C3SNC(SC2c1ccccc1CCCC2)=C3C(=O)N)N
InChi:	InChI=1S/C16H18N4O2S2/c17-13(21)12-14(19-16(18)22)24-20-15(12)23-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11,20H,2,4,6,8H2,(H2,17,21)(H2,18,22)/b19-14-/t11-/m1/s1
Definition date:	2012-05-03
Last modified:	2014-09-05
Identifier:	(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydro-1,2-thiazole-4-carboxamide

1T6

1T6
Name:	5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid
Formula:	C31 H28 N4 O3
SMILES:	O=C(O)c1cc(C(=O)N)ccc1c2cccc(c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)(C5)C
InChi:	InChI=1S/C31H28N4O3/c1-31(22-8-3-2-4-9-22)17-27(35-26-13-11-20(28(32)33)16-25(26)31)19-7-5-6-18(14-19)23-12-10-21(29(34)36)15-24(23)30(37)38/h2-16,27,35H,17H2,1H3,(H3,32,33)(H2,34,36)(H,37,38)/t27-,31+/m0/s1
Definition date:	2013-11-02
Last modified:	2014-09-05
Release date:	2014-02-12
Identifier:	3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoylbiphenyl-2-carboxylic acid

1TD

1TD
Name:	3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid
Formula:	C16 H11 N O3
SMILES:	O=C(O)c1cccc(c1)C=C3/c2ccccc2NC3=O
InChi:	InChI=1S/C16H11NO3/c18-15-13(12-6-1-2-7-14(12)17-15)9-10-4-3-5-11(8-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
Definition date:	2013-11-22
Last modified:	2014-09-05
Release date:	2014-03-05
Identifier:	3-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]benzoic acid

LVJ

LVJ
Name:	2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
Formula:	C27 H32 Cl2 F3 N5 O4
SMILES:	FC(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)CNC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C
InChi:	InChI=1S/C27H32Cl2F3N5O4/c1-25(2,3)23(39)33-11-14-7-8-16(28)21(20(14)29)36-24-35-17-9-15(22(38)34-12-27(30,31)32)19(10-18(17)37(24)6)41-13-26(4,5)40/h7-10,40H,11-13H2,1-6H3,(H,33,39)(H,34,38)(H,35,36)
Definition date:	2013-05-27
Last modified:	2014-09-05
Release date:	2014-04-16
Identifier:	2-[(2,6-dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2-hydroxy-2-methylpropoxy)-1-methyl-N-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carboxamide

1TN

1TN
Name:	5-hexyl-2-(2-nitrophenoxy)phenol
Formula:	C18 H21 N O4
SMILES:	[O-][N+](=O)c2c(Oc1ccc(cc1O)CCCCCC)cccc2
InChi:	InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3
Definition date:	2014-02-10
Last modified:	2014-09-05
Release date:	2014-04-30
Identifier:	5-hexyl-2-(2-nitrophenoxy)phenol

LVY

LVY
Name:	S-Lenalidomide
Formula:	C13 H13 N3 O3
SMILES:	O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N
InChi:	InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/t10-/m0/s1
Definition date:	2013-12-05
Last modified:	2014-09-05
Release date:	2014-07-16
Identifier:	(3S)-3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione

1US

1US
Name:	2-(2-chloranylphenoxy)-5-hexyl-phenol
Formula:	C18 H21 Cl O2
SMILES:	Clc2ccccc2Oc1ccc(cc1O)CCCCCC
InChi:	InChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3
Definition date:	2014-02-15
Last modified:	2014-09-05
Release date:	2014-04-30
Identifier:	2-(2-chlorophenoxy)-5-hexylphenol

1VE

1VE
Name:	(4-azanyl-1,2,5-oxadiazol-3-yl)-[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone
Formula:	C17 H13 N5 O3
SMILES:	O=C(c3cccc(OCc2nc1ccccc1n2)c3)c4nonc4N
InChi:	InChI=1S/C17H13N5O3/c18-17-15(21-25-22-17)16(23)10-4-3-5-11(8-10)24-9-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9H2,(H2,18,22)(H,19,20)
Definition date:	2014-02-18
Last modified:	2014-09-05
Release date:	2014-04-02
Identifier:	(4-amino-1,2,5-oxadiazol-3-yl)[3-(1H-benzimidazol-2-ylmethoxy)phenyl]methanone

1VJ

1VJ
Name:	ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate
Formula:	C13 H13 N3 O5
SMILES:	O=C(c1cccc(OCC(=O)OCC)c1)c2nonc2N
InChi:	InChI=1S/C13H13N3O5/c1-2-19-10(17)7-20-9-5-3-4-8(6-9)12(18)11-13(14)16-21-15-11/h3-6H,2,7H2,1H3,(H2,14,16)
Definition date:	2014-02-20
Last modified:	2014-09-05
Release date:	2014-04-02
Identifier:	ethyl {3-[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy}acetate

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