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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

603

603
Name:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
Formula:	C26 H25 N3 O7 S
SMILES:	O[CH]1O[CH](CN[S](=O)(=O)c2ccc(cc2)C#N)[CH](O)[CH](O)[CH]1NC(=O)c3cccc(c3)c4ccccc4
InChi:	InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26+/m1/s1
Definition date:	2016-01-07
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide

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

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

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

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

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

T20

T20
Name:	3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide
Formula:	C26 H25 N5 O3
SMILES:	O=N(=O)c1cccc(c1)C(=O)Nc3nc4cc(ccc4n3c2ccccc2)CN5CCCCC5
InChi:	InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)
Definition date:	2014-10-24
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide

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

ONX

ONX
Name:	N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide
Formula:	C40 H79 N O2
SMILES:	CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC
InChi:	InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1
Definition date:	2015-09-30
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide

P6B

P6B
Name:	(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
Formula:	C13 H15 N3 O2
SMILES:	C3CN(Cc1onc(n1)c2ccccc2)CC3O
InChi:	InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1
Definition date:	2016-03-15
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol

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

TGD

TGD
Name:	1-deoxy-D-tagatose
Formula:	C6 H12 O5
SMILES:	CC(=O)C(O)C(O)C(CO)O
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1
Definition date:	2015-03-26
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	1-deoxy-D-tagatose

TGJ

TGJ
Name:	1-deoxy-L-tagatose
Formula:	C6 H12 O5
SMILES:	CC(C(C(O)C(CO)O)O)=O
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1
Definition date:	2015-03-27
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	1-deoxy-L-tagatose

PUD

PUD
Name:	6-deoxy-L-psicose
Formula:	C6 H12 O5
SMILES:	C(O)(C(C)O)C(C(CO)=O)O
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6+/m0/s1
Definition date:	2015-03-30
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	6-deoxy-L-psicose

67W

67W
Name:	(2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid
Formula:	C18 H15 N3 O3
SMILES:	n3ccc(c1ccc(cc1)NC(c2ccccc2CC(O)=O)=O)n3
InChi:	InChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23)
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	(2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid

67X

67X
Name:	(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
Formula:	C10 H14 N2 O2 S
SMILES:	c12NCC(Cc1cccc2S(=O)(N)=O)C
InChi:	InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m1/s1
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	(3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide

67Y

67Y
Name:	2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Formula:	C12 H15 N O2
SMILES:	C2(c1c(cccc1)CCC2)NC(CO)=O
InChi:	InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)/t11-/m1/s1
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

68A

68A
Name:	3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid
Formula:	C9 H8 N2 O3 S
SMILES:	c21N=CN(C(c1c(C)c(C(O)=O)s2)=O)C
InChi:	InChI=1S/C9H8N2O3S/c1-4-5-7(15-6(4)9(13)14)10-3-11(2)8(5)12/h3H,1-2H3,(H,13,14)
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

68B

68B
Name:	N-(pyrimidin-5-yl)benzamide
Formula:	C11 H9 N3 O
SMILES:	N(c1cncnc1)C(c2ccccc2)=O
InChi:	InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15)
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	N-(pyrimidin-5-yl)benzamide

68C

68C
Name:	5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Formula:	C10 H7 N5 O2 S2
SMILES:	c31N=CNC(c1c(C)c(C(=O)Nc2scnn2)s3)=O
InChi:	InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)
Definition date:	2016-02-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide

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