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2VM

2VM
Name:	(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Formula:	C24 H23 Br N2 O5
SMILES:	O=C(O)C(NC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3)Cc4ccccc4
InChi:	InChI=1S/C24H23BrN2O5/c25-16-7-9-20-18(12-16)17-8-6-15(23(29)30)11-21(17)27(20)13-22(28)26-19(24(31)32)10-14-4-2-1-3-5-14/h1-5,7,9,12,15,19H,6,8,10-11,13H2,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
Definition date:	2014-02-25
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	(2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

11Z

11Z
Name:	11-cyclohexylundecanoic acid
Formula:	C17 H32 O2
SMILES:	O=C(O)CCCCCCCCCCC1CCCCC1
InChi:	InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
Definition date:	2014-02-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	11-cyclohexylundecanoic acid

476

476
Name:	3-butyl-1-(2,2-diphosphonoethyl)pyridinium
Formula:	C11 H20 N O6 P2
SMILES:	O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(c1)CCCC
InChi:	InChI=1S/C11H19NO6P2/c1-2-3-5-10-6-4-7-12(8-10)9-11(19(13,14)15)20(16,17)18/h4,6-8,11H,2-3,5,9H2,1H3,(H3-,13,14,15,16,17,18)/p+1
Definition date:	2013-04-05
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-butyl-1-(2,2-diphosphonoethyl)pyridinium

9AI

9AI
Name:	N-prop-2-en-1-ylthioformamide
Formula:	C4 H7 N S
SMILES:	S=CNCC=C
InChi:	InChI=1S/C4H7NS/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)
Definition date:	2013-12-17
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	N-prop-2-en-1-ylthioformamide

9BE

9BE
Name:	N-benzylthioformamide
Formula:	C8 H9 N S
SMILES:	S=CNCc1ccccc1
InChi:	InChI=1S/C8H9NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
Definition date:	2013-12-17
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	N-benzylthioformamide

2B0

2B0
Name:	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid
Formula:	C9 H12 N O5 P
SMILES:	O=P(O)(O)CCc1cnc(c(O)c1C=O)C
InChi:	InChI=1S/C9H12NO5P/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4-5,12H,2-3H2,1H3,(H2,13,14,15)
Definition date:	2013-09-18
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	[2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl]phosphonic acid

2B1

2B1
Name:	(4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Formula:	C15 H15 N4 O5 P S
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C/N=N/c2nc3ccccc3s2)C
InChi:	InChI=1S/C15H15N4O5PS/c1-9-14(20)11(10(6-16-9)8-24-25(21,22)23)7-17-19-15-18-12-4-2-3-5-13(12)26-15/h2-6,20H,7-8H2,1H3,(H2,21,22,23)/b19-17+
Definition date:	2013-09-18
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	(4-{[(E)-1,3-benzothiazol-2-yldiazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

2B6

2B6
Name:	(4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Formula:	C16 H15 N4 O6 P S
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1C/N=N/C(=O)c2nc3ccccc3s2)C
InChi:	InChI=1S/C16H15N4O6PS/c1-9-14(21)11(10(6-17-9)8-26-27(23,24)25)7-18-20-15(22)16-19-12-4-2-3-5-13(12)28-16/h2-6,21H,7-8H2,1H3,(H2,23,24,25)/b20-18+
Definition date:	2013-09-18
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	(4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate

2B9

2B9
Name:	[(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate
Formula:	C14 H15 N4 O6 P
SMILES:	O=P(OCC=1C(C(O)=C(NC=1)C)=CN=NC(=O)c2ccncc2)(O)O
InChi:	InChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,16,19H,8H2,1H3,(H2,21,22,23)/b12-7-,18-17+
Definition date:	2013-09-18
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	[(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate

2BG

2BG
Name:	1-(1,3-benzothiazol-2-yl)methanamine
Formula:	C8 H8 N2 S
SMILES:	n1c2ccccc2sc1CN
InChi:	InChI=1S/C8H8N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
Definition date:	2013-09-18
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	1-(1,3-benzothiazol-2-yl)methanamine

F95

F95
Name:	(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
Formula:	C11 H8 O6
SMILES:	O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2
InChi:	InChI=1S/C11H8O6/c12-7-2-1-6-5(3-8(13)14)4-9(15)17-11(6)10(7)16/h1-2,4,12,16H,3H2,(H,13,14)
Definition date:	2013-03-08
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid

2NK

2NK
Name:	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol
Formula:	C22 H21 F2 N3 O
SMILES:	Fc1cc(cc(F)c1O)c2cnccc2c3ccc(cc3)N4CCN(C)CC4
InChi:	InChI=1S/C22H21F2N3O/c1-26-8-10-27(11-9-26)17-4-2-15(3-5-17)18-6-7-25-14-19(18)16-12-20(23)22(28)21(24)13-16/h2-7,12-14,28H,8-11H2,1H3
Definition date:	2013-12-10
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol

2RE

2RE
Name:	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol
Formula:	C20 H14 F N3 O
SMILES:	Fc4ccc(c2nc(c1ccc(O)cc1)nc2c3ccncc3)cc4
InChi:	InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol

2RF

2RF
Name:	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
Formula:	C16 H10 Cl2 N2 O3
SMILES:	O=C2C(Nc1cc(Cl)c(O)cc1)=C(C(=O)N2)c3cccc(Cl)c3
InChi:	InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione

2RK

2RK
Name:	4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
Formula:	C22 H23 N5 O
SMILES:	O=NC2=C1C=C/C(C=C1CC2)=C4/N=C(NC/4=C3C=CNC=C3)C5CCNCC5
InChi:	InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17-
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine

2RN

2RN
Name:	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol
Formula:	C20 H15 N3 O
SMILES:	n2c(c(c1cccc(O)c1)nc2c3ccccc3)c4ccncc4
InChi:	InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
Definition date:	2014-01-13
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol

2RR

2RR
Name:	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile
Formula:	C20 H17 N7 O2
SMILES:	O=C(c1ccc(N)cc1)Cn3c4ccccc4nc3c2nonc2NCCC#N
InChi:	InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)
Definition date:	2014-01-14
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile

2S6

2S6
Name:	4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C27 H34 N2 O2
SMILES:	N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ccccc2)C3CCCC3)cc4
InChi:	InChI=1S/C27H34N2O2/c28-21-22-11-13-26(14-12-22)31-20-6-17-29-18-15-25(16-19-29)27(30,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25,30H,4-6,9-10,15-20H2/t27-/m1/s1
Definition date:	2014-01-17
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile

2S7

2S7
Name:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C26 H33 N3 O2
SMILES:	N#Cc4ccc(OCCCN1CCC(CC1)C(O)(c2ncccc2)C3CCCC3)cc4
InChi:	InChI=1S/C26H33N3O2/c27-20-21-9-11-24(12-10-21)31-19-5-16-29-17-13-23(14-18-29)26(30,22-6-1-2-7-22)25-8-3-4-15-28-25/h3-4,8-12,15,22-23,30H,1-2,5-7,13-14,16-19H2/t26-/m0/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile

2S9

2S9
Name:	4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile
Formula:	C27 H33 F N2 O2
SMILES:	Fc1cccc(c1)C(O)(C3CCN(CCCOc2ccc(C#N)cc2)CC3)C4CCCC4
InChi:	InChI=1S/C27H33FN2O2/c28-25-8-3-7-24(19-25)27(31,22-5-1-2-6-22)23-13-16-30(17-14-23)15-4-18-32-26-11-9-21(20-29)10-12-26/h3,7-12,19,22-23,31H,1-2,4-6,13-18H2/t27-/m1/s1
Definition date:	2014-01-16
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile

AZ4

AZ4
Name:	N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide
Formula:	C19 H23 F4 N7 O5 S
SMILES:	O=S(=O)(N2CCN(c1ncc(OCC(F)(F)F)cn1)CC2)CC(N(O)C=O)CCc3ncc(F)cn3
InChi:	InChI=1S/C19H23F4N7O5S/c20-14-7-24-17(25-8-14)2-1-15(30(32)13-31)11-36(33,34)29-5-3-28(4-6-29)18-26-9-16(10-27-18)35-12-19(21,22)23/h7-10,13,15,32H,1-6,11-12H2/t15-/m0/s1
Definition date:	2013-12-20
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	N-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-({4-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]piperazin-1-yl}sulfonyl)butan-2-yl]-N-hydroxyformamide

AZ6

AZ6
Name:	3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile
Formula:	C21 H23 N7 O5 S
SMILES:	O=S(=O)(N3CCN(c2ncc(OCc1cccc(C#N)c1)cn2)CC3)CC4(C(=O)NC(=O)N4)C
InChi:	InChI=1S/C21H23N7O5S/c1-21(18(29)25-20(30)26-21)14-34(31,32)28-7-5-27(6-8-28)19-23-11-17(12-24-19)33-13-16-4-2-3-15(9-16)10-22/h2-4,9,11-12H,5-8,13-14H2,1H3,(H2,25,26,29,30)/t21-/m1/s1
Definition date:	2013-12-20
Last modified:	2014-02-28
Release date:	2014-03-05
Identifier:	3-[({2-[4-({[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]methyl}sulfonyl)piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]benzonitrile

5ZE

5ZE
Name:	4,6-dimethylpyrimidin-2-amine
Formula:	C6 H9 N3
SMILES:	n1c(cc(nc1N)C)C
InChi:	InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
Definition date:	2013-07-30
Last modified:	2014-02-21
Release date:	2014-02-26
Identifier:	4,6-dimethylpyrimidin-2-amine

7ZE

7ZE
Name:	5-nitroquinoline
Formula:	C9 H6 N2 O2
SMILES:	[O-][N+](=O)c1cccc2ncccc12
InChi:	InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
Definition date:	2013-07-31
Last modified:	2014-02-21
Release date:	2014-02-26
Identifier:	5-nitroquinoline

QDM

QDM
Name:	TDP-3,6-dideoxy-3-N,N-dimethylglucose
Formula:	C18 H31 N3 O14 P2
SMILES:	O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N(C)C)C3O)C)O)O)C
InChi:	InChI=1S/C18H31N3O14P2/c1-8-6-21(18(26)19-16(8)25)12-5-10(22)11(33-12)7-31-36(27,28)35-37(29,30)34-17-15(24)13(20(3)4)14(23)9(2)32-17/h6,9-15,17,22-24H,5,7H2,1-4H3,(H,27,28)(H,29,30)(H,19,25,26)/t9-,10+,11-,12-,13+,14-,15-,17-/m1/s1
Definition date:	2014-02-17
Last modified:	2014-02-21
Release date:	2014-02-26
Identifier:	(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

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