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1WW

1WW
Name:	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Formula:	C16 H13 Cl I N O4
SMILES:	O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2
InChi:	InChI=1S/C16H13ClINO4/c17-11-3-6-13(14(7-11)23-9-15(20)21)16(22)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,22)(H,20,21)
Definition date:	2013-07-16
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid

1WX

1WX
Name:	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:	C16 H9 Br Cl F4 N O4
SMILES:	Fc1c(c(F)c(F)c(Br)c1F)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:	InChI=1S/C16H9BrClF4NO4/c17-11-14(21)12(19)8(13(20)15(11)22)4-23-16(26)7-2-1-6(18)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
Definition date:	2013-07-17
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

M15

M15
Name:	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Formula:	C16 H12 Cl F I N O4
SMILES:	O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2ccc(I)cc2F
InChi:	InChI=1S/C16H12ClFINO4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8H2,(H,20,23)(H,21,22)
Definition date:	2013-07-16
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{5-chloro-2-[(2-fluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid

2CQ

2CQ
Name:	4-chloro-5-methylbenzene-1,2-diamine
Formula:	C7 H9 Cl N2
SMILES:	Clc1cc(c(N)cc1C)N
InChi:	InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
Definition date:	2013-09-20
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	4-chloro-5-methylbenzene-1,2-diamine

2E9

2E9
Name:	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
Formula:	C18 H22 Cl N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(c1O)C/C=C)Nc2ccsc2
InChi:	InChI=1S/C18H22ClN3O2S/c1-2-4-13-9-15(19)10-14(17(13)23)11-20-6-3-7-21-18(24)22-16-5-8-25-12-16/h2,5,8-10,12,20,23H,1,3-4,6-7,11H2,(H2,21,22,24)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea

2EB

2EB
Name:	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:	C15 H17 Cl I N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(I)c1O)Nc2ccsc2
InChi:	InChI=1S/C15H17ClIN3O2S/c16-11-6-10(14(21)13(17)7-11)8-18-3-1-4-19-15(22)20-12-2-5-23-9-12/h2,5-7,9,18,21H,1,3-4,8H2,(H2,19,20,22)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea

2EE

2EE
Name:	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea
Formula:	C25 H28 Cl N3 O2 S
SMILES:	O=C(NCCCNCc2cc(Cl)cc(c2OCc1ccccc1)C/C=C)Nc3ccsc3
InChi:	InChI=1S/C25H28ClN3O2S/c1-2-7-20-14-22(26)15-21(24(20)31-17-19-8-4-3-5-9-19)16-27-11-6-12-28-25(30)29-23-10-13-32-18-23/h2-5,8-10,13-15,18,27H,1,6-7,11-12,16-17H2,(H2,28,29,30)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea

2EF

2EF
Name:	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:	C17 H21 Cl I N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(I)c1OCC)Nc2ccsc2
InChi:	InChI=1S/C17H21ClIN3O2S/c1-2-24-16-12(8-13(18)9-15(16)19)10-20-5-3-6-21-17(23)22-14-4-7-25-11-14/h4,7-9,11,20H,2-3,5-6,10H2,1H3,(H2,21,22,23)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea

2EJ

2EJ
Name:	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
Formula:	C17 H19 N3 O S
SMILES:	O=C(NCCCNCc1cccc(C#C)c1)Nc2ccsc2
InChi:	InChI=1S/C17H19N3OS/c1-2-14-5-3-6-15(11-14)12-18-8-4-9-19-17(21)20-16-7-10-22-13-16/h1,3,5-7,10-11,13,18H,4,8-9,12H2,(H2,19,20,21)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea

2EK

2EK
Name:	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
Formula:	C13 H15 Cl2 N3 O S2
SMILES:	Clc1sc(Cl)cc1CNCCCNC(=O)Nc2ccsc2
InChi:	InChI=1S/C13H15Cl2N3OS2/c14-11-6-9(12(15)21-11)7-16-3-1-4-17-13(19)18-10-2-5-20-8-10/h2,5-6,8,16H,1,3-4,7H2,(H2,17,18,19)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-(3-{[(2,5-dichlorothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea

2EM

2EM
Name:	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea
Formula:	C18 H21 N3 O S2
SMILES:	O=C(Nc1ccsc1)NCCCNCc2c3ccccc3sc2C
InChi:	InChI=1S/C18H21N3OS2/c1-13-16(15-5-2-3-6-17(15)24-13)11-19-8-4-9-20-18(22)21-14-7-10-23-12-14/h2-3,5-7,10,12,19H,4,8-9,11H2,1H3,(H2,20,21,22)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea

2EN

2EN
Name:	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea
Formula:	C21 H26 Cl N3 O2 S
SMILES:	O=C(NCCCNCc1cc(Cl)cc(c1OC/C=C)C/C=C)Nc2ccsc2
InChi:	InChI=1S/C21H26ClN3O2S/c1-3-6-16-12-18(22)13-17(20(16)27-10-4-2)14-23-8-5-9-24-21(26)25-19-7-11-28-15-19/h3-4,7,11-13,15,23H,1-2,5-6,8-10,14H2,(H2,24,25,26)
Definition date:	2013-09-27
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea

2RW

2RW
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C15 H23 N5 O12 P2
SMILES:	O=P(OCC1OCCC1O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C15H23N5O12P2/c16-13-10-14(18-5-17-13)20(6-19-10)15-12(23)11(22)9(31-15)4-30-34(26,27)32-33(24,25)29-3-8-7(21)1-2-28-8/h5-9,11-12,15,21-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,9+,11+,12+,15+/m0/s1
Definition date:	2014-01-14
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S)-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

FU0

FU0
Name:	2-(furan-2-yl)ethyl hydrogen carbonate
Formula:	C7 H8 O4
SMILES:	O=C(OCCc1occc1)O
InChi:	InChI=1S/C7H8O4/c8-7(9)11-5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H,8,9)
Definition date:	2014-03-05
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	2-(furan-2-yl)ethyl hydrogen carbonate

ID6

ID6
Name:	2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
Formula:	C20 H20 Cl N O2
SMILES:	Clc1ccc(cc1)Cn3c(c2c(C(OCC)=CC=CC2=O)c3C)C
InChi:	InChI=1S/C20H20ClNO2/c1-4-24-18-7-5-6-17(23)19-13(2)22(14(3)20(18)19)12-15-8-10-16(21)11-9-15/h5-11H,4,12H2,1-3H3
Definition date:	2014-02-12
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one

4O8

4O8
Name:	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
Formula:	C16 H11 Br Cl F2 N O4
SMILES:	Fc1c(c(F)cc(Br)c1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:	InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
Definition date:	2013-07-18
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid

4O9

4O9
Name:	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Formula:	C16 H11 Cl F2 I N O4
SMILES:	O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2c(F)cc(I)cc2F
InChi:	InChI=1S/C16H11ClF2INO4/c17-8-1-2-10(14(3-8)25-7-15(22)23)16(24)21-6-11-12(18)4-9(20)5-13(11)19/h1-5H,6-7H2,(H,21,24)(H,22,23)
Definition date:	2013-07-17
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	{5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid

AXZ

AXZ
Name:	2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid
Formula:	C11 H18 N2 O5 S
SMILES:	O=C(O)C(NS(O)(O)c1ccc(cc1)CCN)CO
InChi:	InChI=1S/C11H18N2O5S/c12-6-5-8-1-3-9(4-2-8)19(17,18)13-10(7-14)11(15)16/h1-4,10,13-14,17-18H,5-7,12H2,(H,15,16)/t10-/m0/s1
Definition date:	2014-03-05
Last modified:	2014-04-25
Release date:	2014-04-30
Identifier:	N-{[4-(2-aminoethyl)phenyl](dihydroxy)-lambda~4~-sulfanyl}-L-serine

2YC

2YC
Name:	N~6~-{[(2S,3S)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine
Formula:	C12 H21 N3 O3
SMILES:	O=C(NCCCCC(C(=O)O)N)C1N=CCC1C
InChi:	InChI=1S/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)/t8-,9-,10-/m0/s1
Definition date:	2014-04-14
Last modified:	2014-04-22
Release date:	2014-04-23
Identifier:	N~6~-{[(2S,3S)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine

KP1

KP1
Name:	2,4-dimethylpentane-2,4-diol
Formula:	C7 H16 O2
SMILES:	OC(C)(C)CC(O)(C)C
InChi:	InChI=1S/C7H16O2/c1-6(2,8)5-7(3,4)9/h8-9H,5H2,1-4H3
Definition date:	2013-05-22
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	2,4-dimethylpentane-2,4-diol

N8V

N8V
Name:	(1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
Formula:	C15 H29 N O4
SMILES:	OC1C(NCCCCCCCC)C=C(C(O)C1O)CO
InChi:	InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
Definition date:	2013-07-26
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	(1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol

2V8

2V8
Name:	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid
Formula:	C24 H18 Cl2 N2 O2
SMILES:	Clc4cccc(c3c(nc(c1cccc(c1)C)n3c2c(ccc(Cl)c2)C)C(=O)O)c4
InChi:	InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)
Definition date:	2014-02-21
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid

2X6

2X6
Name:	7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one
Formula:	C21 H23 N7 O
SMILES:	O=C1c2c(N=CN1)cc(nc2Nc4cccc3ccnc34)NC5CCCCC5N
InChi:	InChI=1S/C21H23N7O/c22-13-5-1-2-6-14(13)26-17-10-16-18(21(29)25-11-24-16)20(28-17)27-15-7-3-4-12-8-9-23-19(12)15/h3-4,7-11,13-14,23H,1-2,5-6,22H2,(H,24,25,29)(H2,26,27,28)/t13-,14+/m0/s1
Definition date:	2014-04-02
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one

2YF

2YF
Name:	N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine
Formula:	C12 H21 N3 O3
SMILES:	O=C(NCCCCC(C(=O)O)N)C1N=CCCC1
InChi:	InChI=1S/C12H21N3O3/c13-9(12(17)18)5-1-3-8-15-11(16)10-6-2-4-7-14-10/h7,9-10H,1-6,8,13H2,(H,15,16)(H,17,18)/t9-,10+/m0/s1
Definition date:	2014-04-14
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	N~6~-[(2R)-2,3,4,5-tetrahydropyridin-2-ylcarbonyl]-L-lysine

2YG

2YG
Name:	N~6~-L-lysyl-L-lysine
Formula:	C12 H26 N4 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)C(N)CCCCN
InChi:	InChI=1S/C12H26N4O3/c13-7-3-1-5-9(14)11(17)16-8-4-2-6-10(15)12(18)19/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1
Definition date:	2014-04-14
Last modified:	2014-04-18
Release date:	2014-04-23
Identifier:	N~6~-L-lysyl-L-lysine

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