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7LN

7LN
Name:	N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Formula:	C27 H29 N5 O2 S2
SMILES:	N(/c1cc(ccc1)COCC(OCc3cccc(NC(=[N@H])c2sccc2)c3)CN)=C(N)c4sccc4
InChi:	InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1
Definition date:	2014-06-17
Last modified:	2014-08-15
Release date:	2014-08-20
Identifier:	N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide

38L

38L
Name:	2-nitrobenzene-1,3-diol
Formula:	C6 H5 N O4
SMILES:	O=[N+]([O-])c1c(O)cccc1O
InChi:	InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H
Definition date:	2014-07-07
Last modified:	2014-08-01
Release date:	2014-08-06
Identifier:	2-nitrobenzene-1,3-diol

FJ3

FJ3
Name:	4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol
Formula:	C12 H14 N2 O3
SMILES:	n1oc(cc1c2c(O)cc(O)c(c2)C(C)C)N
InChi:	InChI=1S/C12H14N2O3/c1-6(2)7-3-8(11(16)5-10(7)15)9-4-12(13)17-14-9/h3-6,15-16H,13H2,1-2H3
Definition date:	2013-08-16
Last modified:	2014-07-25
Release date:	2014-07-30
Identifier:	4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol

2TJ

2TJ
Name:	4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
Formula:	C19 H23 N5 O4 S2
SMILES:	O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)S(=O)(=O)NC)CC3
InChi:	InChI=1S/C19H23N5O4S2/c1-3-4-16-14-23(30(27,28)18-9-10-19(20)22-13-18)11-12-24(16)15-5-7-17(8-6-15)29(25,26)21-2/h5-10,13,16,21H,11-12,14H2,1-2H3,(H2,20,22)/t16-/m0/s1
Definition date:	2014-01-29
Last modified:	2014-07-25
Release date:	2014-07-30
Identifier:	4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]-N-methylbenzenesulfonamide

35V

35V
Name:	4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
Formula:	C19 H25 N O5 S
SMILES:	O(c1ccc(cc1OC)CCNCC(O)c2ccc(O)c(O)c2)CCS
InChi:	InChI=1S/C19H25NO5S/c1-24-19-10-13(2-5-18(19)25-8-9-26)6-7-20-12-17(23)14-3-4-15(21)16(22)11-14/h2-5,10-11,17,20-23,26H,6-9,12H2,1H3/t17-/m0/s1
Definition date:	2014-06-23
Last modified:	2014-07-18
Release date:	2014-07-23
Identifier:	4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol

XA2

XA2
Name:	(R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid
Formula:	C18 H28 B Cl2 N2 O5
SMILES:	O=C(O)C(N)(C2CCN(Cc1cc(Cl)c(Cl)cc1)CC2)CCCC[B-](O)(O)O
InChi:	InChI=1S/C18H28BCl2N2O5/c20-15-4-3-13(11-16(15)21)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26,27)28/h3-4,11,14,26-28H,1-2,5-10,12,22H2,(H,24,25)/q-1/t18-/m1/s1
Definition date:	2014-04-16
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	{(5R)-5-amino-5-carboxy-5-[1-(3,4-dichlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)

5C3

5C3
Name:	4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
Formula:	C14 H20 N2 O3 S
SMILES:	O=S(=O)(c1ccccc1)NC(=O)C2CCC(CN)CC2
InChi:	InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)/t11-,12-
Definition date:	2013-06-25
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	trans-4-(aminomethyl)-N-(phenylsulfonyl)cyclohexanecarboxamide

T62

T62
Name:	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
Formula:	C16 H13 N5 O2
SMILES:	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4
InChi:	InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-[(2-amino[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol

2D1

2D1
Name:	N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
Formula:	C15 H20 N2 O2 S2
SMILES:	O=S(=O)(NCCC(C)C)c2ccc(c1nc(sc1)C)cc2
InChi:	InChI=1S/C15H20N2O2S2/c1-11(2)8-9-16-21(18,19)14-6-4-13(5-7-14)15-10-20-12(3)17-15/h4-7,10-11,16H,8-9H2,1-3H3
Definition date:	2013-08-13
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

2G1

2G1
Name:	4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
Formula:	C13 H13 F3 N2 O2 S2
SMILES:	FC(F)(F)CCNS(=O)(=O)c2ccc(c1nc(sc1)C)cc2
InChi:	InChI=1S/C13H13F3N2O2S2/c1-9-18-12(8-21-9)10-2-4-11(5-3-10)22(19,20)17-7-6-13(14,15)16/h2-5,8,17H,6-7H2,1H3
Definition date:	2013-08-13
Last modified:	2014-06-20
Release date:	2014-06-25
Identifier:	4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide

X29

X29
Name:	4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol
Formula:	C12 H7 Br Cl N3 O2
SMILES:	Clc3cc(c1nnc2ccc(Br)cn12)c(O)cc3O
InChi:	InChI=1S/C12H7BrClN3O2/c13-6-1-2-11-15-16-12(17(11)5-6)7-3-8(14)10(19)4-9(7)18/h1-5,18-19H
Definition date:	2013-06-24
Last modified:	2014-06-13
Release date:	2014-06-18
Identifier:	4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol

2X1

2X1
Name:	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide
Formula:	C15 H17 N5 O
SMILES:	O=C(Nc1cc(ccc1)CN)Nc2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C15H17N5O/c16-9-10-2-1-3-13(8-10)20-15(21)19-12-6-4-11(5-7-12)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21)
Definition date:	2014-03-28
Last modified:	2014-06-06
Release date:	2014-06-11
Identifier:	4-({[3-(aminomethyl)phenyl]carbamoyl}amino)benzenecarboximidamide

KVC

KVC
Name:	(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
Formula:	C23 H18 F N7 O2
SMILES:	Fc3ccc2C(=O)N(Cc1nc5ccc(C#N)cn5c1c4nc(OC(c2c3)C)c(nc4)N)C
InChi:	InChI=1S/C23H18FN7O2/c1-12-16-7-14(24)4-5-15(16)23(32)30(2)11-18-20(17-9-27-21(26)22(29-17)33-12)31-10-13(8-25)3-6-19(31)28-18/h3-7,9-10,12H,11H2,1-2H3,(H2,26,27)/t12-/m1/s1
Definition date:	2014-03-13
Last modified:	2014-05-23
Release date:	2014-05-28
Identifier:	(5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile

2RS

2RS
Name:	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Formula:	C26 H31 N7 O2
SMILES:	N#Cc1ccc(cc1)Nc2nc(nc(n2)Nc3c(cc(cc3C)C)C)OCCCN4CCOCC4
InChi:	InChI=1S/C26H31N7O2/c1-18-15-19(2)23(20(3)16-18)29-25-30-24(28-22-7-5-21(17-27)6-8-22)31-26(32-25)35-12-4-9-33-10-13-34-14-11-33/h5-8,15-16H,4,9-14H2,1-3H3,(H2,28,29,30,31,32)
Definition date:	2014-01-14
Last modified:	2014-05-16
Release date:	2014-05-21
Identifier:	4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

KIU

KIU
Name:	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
Formula:	C15 H11 N O7
SMILES:	[O-][N+](=O)c1cccc(c1)COc2cc(cc(c2)C(=O)O)C(=O)O
InChi:	InChI=1S/C15H11NO7/c17-14(18)10-5-11(15(19)20)7-13(6-10)23-8-9-2-1-3-12(4-9)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)
Definition date:	2013-05-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid

KIW

KIW
Name:	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C15 H12 N2 O6
SMILES:	[O-][N+](=O)c1cccc(c1)CNc2cc(cc(c2)C(=O)O)C(=O)O
InChi:	InChI=1S/C15H12N2O6/c18-14(19)10-5-11(15(20)21)7-12(6-10)16-8-9-2-1-3-13(4-9)17(22)23/h1-7,16H,8H2,(H,18,19)(H,20,21)
Definition date:	2013-05-09
Last modified:	2014-05-09
Release date:	2014-05-14
Identifier:	5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid

VIQ

VIQ
Name:	4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
Formula:	C16 H23 N3 O3 S
SMILES:	O=S(=O)(Nc1c(nn(c1C)C)C)c2c(cc(OC)c(c2C)C)C
InChi:	InChI=1S/C16H23N3O3S/c1-9-8-14(22-7)10(2)11(3)16(9)23(20,21)18-15-12(4)17-19(6)13(15)5/h8,18H,1-7H3
Definition date:	2011-09-29
Last modified:	2014-05-02
Identifier:	4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

NN7

NN7
Name:	N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
Formula:	C25 H27 F N4 O2 S
SMILES:	O=S(=O)(c1c(cc(cc1C)C)C)NC(C)CNc2cccc3c2cnn3c4ccc(F)cc4
InChi:	InChI=1S/C25H27FN4O2S/c1-16-12-17(2)25(18(3)13-16)33(31,32)29-19(4)14-27-23-6-5-7-24-22(23)15-28-30(24)21-10-8-20(26)9-11-21/h5-13,15,19,27,29H,14H2,1-4H3/t19-/m0/s1
Definition date:	2014-03-07
Last modified:	2014-05-02
Release date:	2014-05-07
Identifier:	N-[(2S)-1-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

JUS

JUS
Name:	2-(2-CYANOPHENOXY)-5-HEXYLPHENOL
Formula:	C19 H21 N O2
SMILES:	N#Cc2c(Oc1ccc(cc1O)CCCCCC)cccc2
InChi:	InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3
Definition date:	2013-05-15
Last modified:	2014-04-29
Release date:	2013-06-05
Identifier:	2-(4-hexyl-2-hydroxyphenoxy)benzonitrile

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

4DS

4DS
Name:	4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
Formula:	C16 H10 N2 O6 S4
SMILES:	O=S(=O)(O)c1cc(N=C=S)ccc1C=Cc2ccc(N=C=S)cc2S(=O)(=O)O
InChi:	InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
Definition date:	2014-01-16
Last modified:	2014-04-15
Release date:	2014-03-05
Identifier:	5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

2C9

2C9
Name:	3-methylbenzene-1,2-diamine
Formula:	C7 H10 N2
SMILES:	Nc1c(cccc1N)C
InChi:	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
Definition date:	2013-09-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	3-methylbenzene-1,2-diamine

ZYB

ZYB
Name:	4-Fluorobenzamidoxime
Formula:	C7 H7 F N2 O
SMILES:	Fc1ccc(C(=NO)N)cc1
InChi:	InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
Definition date:	2014-03-21
Last modified:	2014-03-28
Release date:	2014-04-02
Identifier:	4-fluoro-N'-hydroxybenzenecarboximidamide

YH2

YH2
Name:	4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile
Formula:	C13 H10 N6 O S
SMILES:	N#Cc1ccc(cc1)CSc3nc2c(N=C(N)NC2=O)n3
InChi:	InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20)
Definition date:	2013-09-03
Last modified:	2014-03-28
Release date:	2014-04-02
Identifier:	4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile

435

435
Name:	4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide
Formula:	C19 H18 N4 O3 S
SMILES:	O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c(c2)C)C)cc3
InChi:	InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+
Definition date:	2014-01-09
Last modified:	2014-03-28
Release date:	2014-04-02
Identifier:	4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide

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