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68L

68L
Name:	N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide
Formula:	C25 H20 Cl N5 O4
SMILES:	C1OCCC=C1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)NC(=O)c6ccc(cn6)Cl
InChi:	InChI=1S/C25H20ClN5O4/c26-15-3-5-19(28-10-15)23(32)30-16-4-6-21-17(8-16)25(13-34-24(27)31-25)18-9-20(29-11-22(18)35-21)14-2-1-7-33-12-14/h2-6,8-11H,1,7,12-13H2,(H2,27,31)(H,30,32)/t25-/m0/s1
Definition date:	2016-02-17
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-[(5S)-2'-amino-3-(5,6-dihydro-2H-pyran-3-yl)-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-7-yl]-5-chloropyridine-2-carboxamide

68M

68M
Name:	(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
Formula:	C25 H32 N4 O
SMILES:	CC(C)(C)CCNC(=O)C(C)Cc1cc2cc(ccc2nc1N)c3c(cccn3)C
InChi:	InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m1/s1
Definition date:	2016-02-17
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	(2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

6B2

6B2
Name:	N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Formula:	C26 H30 Cl N3 O4 S
SMILES:	CC1=CC(=O)N(C)c2c1ccc(c2)N3C(=O)CCC(C3c4ccc(Cl)cc4)NS(=O)(=O)CC(C)C
InChi:	InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
Definition date:	2016-02-29
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide

6BS

6BS
Name:	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
Formula:	C25 H31 N3 O
SMILES:	CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3c(cccc3)C
InChi:	InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29)
Definition date:	2016-03-03
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide

6E6

6E6
Name:	1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C26 H27 F3 N6 O2 S
SMILES:	c45c(c(NC1CCN(CC1)Cc2cc3c(cc2)n(c(c3)C#N)CC(O)CO)ncn4)cc(CC(F)(F)F)s5
InChi:	InChI=1S/C26H27F3N6O2S/c27-26(28,29)10-21-9-22-24(31-15-32-25(22)38-21)33-18-3-5-34(6-4-18)12-16-1-2-23-17(7-16)8-19(11-30)35(23)13-20(37)14-36/h1-2,7-9,15,18,20,36-37H,3-6,10,12-14H2,(H,31,32,33)/t20-/m1/s1
Definition date:	2016-03-21
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

AO
Name:	ACRIDINE ORANGE
Formula:	C17 H20 N3
SMILES:	CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
InChi:	InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1
Definition date:	1999-07-08
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N,N,N',N'-tetramethylacridin-10-ium-3,6-diamine

D8S

D8S
Name:	benzo[g][1]benzothiole-2-carboxylic acid
Formula:	C13 H8 O2 S
SMILES:	OC(=O)c1sc2c(ccc3ccccc23)c1
InChi:	InChI=1S/C13H8O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-7H,(H,14,15)
Definition date:	2016-03-14
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	benzo[g][1]benzothiole-2-carboxylic acid

EYC

EYC
Name:	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}
Formula:	C18 H14 Cl2 N2 O8 S2
SMILES:	O=C(CCl)Nc2ccc(C#Cc1c(cc(cc1)NC(=O)CCl)S(=O)(=O)O)c(c2)S(O)(=O)=O
InChi:	InChI=1S/C18H14Cl2N2O8S2/c19-9-17(23)21-13-5-3-11(15(7-13)31(25,26)27)1-2-12-4-6-14(22-18(24)10-20)8-16(12)32(28,29)30/h3-8H,9-10H2,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)
Definition date:	2015-07-07
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid}

5JC

5JC
Name:	2,4-dichlorophenol
Formula:	C6 H4 Cl2 O
SMILES:	Clc1c(ccc(c1)Cl)O
InChi:	InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Definition date:	2015-09-30
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	2,4-dichlorophenol

5LR

5LR
Name:	5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
Formula:	C22 H24 Cl N3 O2 S
SMILES:	CC1=C(c2ccc(Cl)cc2)[S](=O)(=O)N=C1NCCCN3CCc4ccccc4C3
InChi:	InChI=1S/C22H24ClN3O2S/c1-16-21(18-7-9-20(23)10-8-18)29(27,28)25-22(16)24-12-4-13-26-14-11-17-5-2-3-6-19(17)15-26/h2-3,5-10H,4,11-15H2,1H3,(H,24,25)
Definition date:	2015-10-20
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine

5SF

5SF
Name:	~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
Formula:	C25 H30 N6 O2
SMILES:	COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4
InChi:	InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
Definition date:	2015-11-20
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine

5VE

5VE
Name:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Formula:	C21 H24 Cl F N6 O2
SMILES:	CNCc1ccc2C[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1
InChi:	InChI=1S/C21H24ClFN6O2/c1-26-9-11-2-3-12-7-13(10-27-21(24)25)18(15(12)6-11)29-20(31)19(30)28-14-4-5-16(22)17(23)8-14/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27)/t13-,18-/m1/s1
Definition date:	2015-12-09
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide

5VF

5VF
Name:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Formula:	C22 H26 Cl F N8 O2
SMILES:	CN(Cc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)Cc2c1)C(N)=N
InChi:	InChI=1S/C22H26ClFN8O2/c1-32(22(27)28)10-11-2-4-15-12(6-11)7-13(9-29-21(25)26)18(15)31-20(34)19(33)30-14-3-5-16(23)17(24)8-14/h2-6,8,13,18H,7,9-10H2,1H3,(H3,27,28)(H,30,33)(H,31,34)(H4,25,26,29)/t13-,18-/m1/s1
Definition date:	2015-12-09
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide

5VG

5VG
Name:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Formula:	C21 H24 Cl F N6 O2
SMILES:	CNCc1ccc2[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[CH](CNC(N)=N)Cc2c1
InChi:	InChI=1S/C21H24ClFN6O2/c1-26-9-11-2-4-15-12(6-11)7-13(10-27-21(24)25)18(15)29-20(31)19(30)28-14-3-5-16(22)17(23)8-14/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27)/t13-,18-/m1/s1
Definition date:	2015-12-09
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide

5VH

5VH
Name:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
Formula:	C22 H26 Cl F N8 O2
SMILES:	CN(Cc1ccc2C[CH](CNC(N)=N)[CH](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1)C(N)=N
InChi:	InChI=1S/C22H26ClFN8O2/c1-32(22(27)28)10-11-2-3-12-7-13(9-29-21(25)26)18(15(12)6-11)31-20(34)19(33)30-14-4-5-16(23)17(24)8-14/h2-6,8,13,18H,7,9-10H2,1H3,(H3,27,28)(H,30,33)(H,31,34)(H4,25,26,29)/t13-,18-/m1/s1
Definition date:	2015-12-09
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide

HCK

HCK
Name:	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
Formula:	C18 H14 N2 O4 S
SMILES:	COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
Definition date:	2015-11-17
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid

WGT

WGT
Name:	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
Formula:	C11 H11 N O2 S2
SMILES:	CCOC(=O)c1c(csc1N)c2sccc2
InChi:	InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3
Definition date:	2016-03-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate

KP6

KP6
Name:	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol
Formula:	C8 H14 N2 O
SMILES:	OCCc1c(nn(c1C)C)C
InChi:	InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
Definition date:	2015-07-09
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol

WQS

WQS
Name:	2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
Formula:	C10 H8 F N O3
SMILES:	OC(=O)C[CH]1C(=O)Nc2ccc(F)cc12
InChi:	InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1
Definition date:	2016-03-09
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid

L32

L32
Name:	{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid
Formula:	C15 H9 Br2 N O3
SMILES:	Brc3ccc2c1ccc(cc1C(c2c3)=N/OCC(O)=O)Br
InChi:	InChI=1S/C15H9Br2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)
Definition date:	2015-09-30
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid

L57

L57
Name:	({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
Formula:	C15 H11 Cl2 N O3
SMILES:	Clc2c(cc(/C(c1ccccc1)=NOCC(O)=O)cc2)Cl
InChi:	InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(8-13(12)17)15(18-21-9-14(19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)/b18-15-
Definition date:	2015-10-07
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid

7SI

7SI
Name:	(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol
Formula:	C11 H12 O2
SMILES:	C1CC2CC1c3c(O)ccc(O)c23
InChi:	InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2/t6-,7+
Definition date:	2016-03-15
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol

N6Y

N6Y
Name:	3-(pyridin-3-yl)aniline
Formula:	C11 H10 N2
SMILES:	c1cncc(c1)c2cc(N)ccc2
InChi:	InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2
Definition date:	2016-03-11
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	3-(pyridin-3-yl)aniline

55R

55R
Name:	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
Formula:	C13 H10 N2 O3
SMILES:	O=C(O)c2c(N/N=C1/C=CC(=O)C=C1)cccc2
InChi:	InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,15H,(H,17,18)
Definition date:	2015-07-30
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid

NYK

NYK
Name:	[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile
Formula:	C10 H8 N2 O
SMILES:	C(C#N)C1C(Nc2ccccc12)=O
InChi:	InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-11
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-[(3S)-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanenitrile

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