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VVA

VVA
Name:	2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate
Formula:	C21 H44 N O6 P
SMILES:	O=P(OCCN)(O)OCCOC(CCCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)26-19-20-28-29(24,25)27-18-17-22/h2-20,22H2,1H3,(H,24,25)
Definition date:	2016-02-01
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl heptadecanoate

Y6W

Y6W
Name:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-{3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]propyl}phosphonate
Formula:	C18 H29 N2 O13 P
SMILES:	C1(OC(C(C(C1O)O)O)CO)CCCP(OCC3C(C(C(N2C(=O)NC(C=C2)=O)O3)O)O)(O)=O
InChi:	InChI=1S/C18H29N2O13P/c21-6-9-13(24)15(26)12(23)8(32-9)2-1-5-34(29,30)31-7-10-14(25)16(27)17(33-10)20-4-3-11(22)19-18(20)28/h3-4,8-10,12-17,21,23-27H,1-2,5-7H2,(H,29,30)(H,19,22,28)/t8-,9-,10-,12+,13+,14-,15-,16-,17-/m1/s1
Definition date:	2016-02-04
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (S)-{3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]propyl}phosphonate (non-preferred name)

7BG

7BG
Name:	2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-6-oxo-6,9-dihydro-1H-purin-7-ium
Formula:	C17 H20 F N5 O7 P
SMILES:	OP(OCC1C(C(C(O1)n2c[n+](c3c2N=C(N)NC3=O)Cc4ccccc4)F)O)(=O)O
InChi:	InChI=1S/C17H19FN5O7P/c18-11-13(24)10(7-29-31(26,27)28)30-16(11)23-8-22(6-9-4-2-1-3-5-9)12-14(23)20-17(19)21-15(12)25/h1-5,8,10-11,13,16,24H,6-7H2,(H4-,19,20,21,25,26,27,28)/p+1/t10-,11+,13-,16-/m1/s1
Definition date:	2015-03-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-6-oxo-6,9-dihydro-1H-purin-7-ium

52Y

52Y
Name:	methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Formula:	C20 H15 F N2 O4 S
SMILES:	COc3ccc(c1ccc(c(c1)F)N2/C(SCC2=O)=C(/C(=O)OC)C#N)cc3
InChi:	InChI=1S/C20H15FN2O4S/c1-26-14-6-3-12(4-7-14)13-5-8-17(16(21)9-13)23-18(24)11-28-19(23)15(10-22)20(25)27-2/h3-9H,11H2,1-2H3/b19-15-
Definition date:	2015-03-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

38Y

38Y
Name:	3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE
Formula:	C20 H25 B Br N6 O9 P
SMILES:	Brc1ccc(OCC)cc1C(OB4OC5C(OC(n2c3ncnc(N)c3nc2)C5O4)COP(=O)(O)O)CN
InChi:	InChI=1S/C20H25BBrN6O9P/c1-2-32-10-3-4-12(22)11(5-10)13(6-23)35-21-36-16-14(7-33-38(29,30)31)34-20(17(16)37-21)28-9-27-15-18(24)25-8-26-19(15)28/h3-5,8-9,13-14,16-17,20H,2,6-7,23H2,1H3,(H2,24,25,26)(H2,29,30,31)/t13-,14-,16-,17-,20-/m1/s1
Definition date:	2015-02-03
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[(3aS,4R,6R,6aR)-2-[(1S)-2-amino-1-(2-bromo-5-ethoxyphenyl)ethoxy]-6-(6-amino-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]methyl dihydrogen phosphate

NS8

NS8
Name:	trans beta nitrostyrene
Formula:	C8 H7 N O2
SMILES:	[O-][N+]([C@H]=Cc1ccccc1)=O
InChi:	InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
Definition date:	2015-07-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[(E)-2-nitroethenyl]benzene

5SW

5SW
Name:	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
Formula:	C20 H23 N3 O3
SMILES:	COc1cc(cc(OC)c1CN(C)C)C2=CN(C)C(=O)c3cnccc23
InChi:	InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
Definition date:	2015-11-25
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

5TU

5TU
Name:	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide
Formula:	C14 H14 N2 O2
SMILES:	CN1C=C(C=C(C)C1=O)c2ccc(cc2)C(N)=O
InChi:	InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
Definition date:	2015-12-01
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	4-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)benzamide

5TY

5TY
Name:	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one
Formula:	C10 H12 N4 O
SMILES:	CN(C)c1ncc2C(=O)N(C)C=Cc2n1
InChi:	InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3
Definition date:	2015-12-02
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	2-(dimethylamino)-6-methyl-pyrido[4,3-d]pyrimidin-5-one

5U2

5U2
Name:	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one
Formula:	C19 H24 N2 O4
SMILES:	COc1cc(cc(OC)c1CN2CC(O)C2)C3=CN(C)C(=O)C(=C3)C
InChi:	InChI=1S/C19H24N2O4/c1-12-5-14(8-20(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-21-9-15(22)10-21/h5-8,15,22H,9-11H2,1-4H3
Definition date:	2015-12-02
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one

5U6

5U6
Name:	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one
Formula:	C20 H23 N3 O3
SMILES:	COc1cc(c(OC)cc1CN(C)C)C2=CN(C)C(=O)c3cnccc23
InChi:	InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3
Definition date:	2015-12-02
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one

60R

60R
Name:	6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one
Formula:	C23 H16 F N O3
SMILES:	Fc1ccc2c(OCc3ccccc3C2=Cc4ccc5OCC(=O)Nc5c4)c1
InChi:	InChI=1S/C23H16FNO3/c24-16-6-7-18-19(17-4-2-1-3-15(17)12-27-22(18)11-16)9-14-5-8-21-20(10-14)25-23(26)13-28-21/h1-11H,12-13H2,(H,25,26)/b19-9+
Definition date:	2016-01-12
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one

67A

67A
Name:	3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:	C20 H13 F3 N4 O2
SMILES:	N1=C(C(=O)C=CN1c2cc(ccc2)OC(F)(F)F)c4n(c3ccccc3)ncc4
InChi:	InChI=1S/C20H13F3N4O2/c21-20(22,23)29-16-8-4-7-15(13-16)26-12-10-18(28)19(25-26)17-9-11-24-27(17)14-5-2-1-3-6-14/h1-13H
Definition date:	2016-02-10
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one

4OT

4OT
Name:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone
Formula:	C24 H21 F N4 O2 S
SMILES:	C(C1CCCN1C(c2c(sc(C)n2)c3c(cccc3)F)=O)c4oc(nn4)c5ccccc5
InChi:	InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1
Definition date:	2015-04-29
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone

5EM

5EM
Name:	N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide
Formula:	C22 H22 N4 O3
SMILES:	c2c(C(NC(C(C)(N)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2
InChi:	InChI=1S/C22H22N4O3/c1-22(2,24)19(21(28)26-29)25-20(27)17-11-7-15(8-12-17)5-3-4-6-16-9-13-18(23)14-10-16/h7-14,19,29H,23-24H2,1-2H3,(H,25,27)(H,26,28)/t19-/m1/s1
Definition date:	2015-09-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide

5EN

5EN
Name:	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
Formula:	C22 H19 F2 N3 O4
SMILES:	c2cc(C#CC#Cc1ccc(N)cc1)ccc2C(NC(C(C(F)F)(O)C)C(=O)NO)=O
InChi:	InChI=1S/C22H19F2N3O4/c1-22(30,21(23)24)18(20(29)27-31)26-19(28)16-10-6-14(7-11-16)4-2-3-5-15-8-12-17(25)13-9-15/h6-13,18,21,30-31H,25H2,1H3,(H,26,28)(H,27,29)/t18-,22+/m1/s1
Definition date:	2015-09-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide

5EP

5EP
Name:	N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide
Formula:	C23 H23 N3 O3
SMILES:	c2c(C(NC(C(CC)C)C(=O)NO)=O)ccc(C#CC#Cc1ccc(cc1)N)c2
InChi:	InChI=1S/C23H23N3O3/c1-3-16(2)21(23(28)26-29)25-22(27)19-12-8-17(9-13-19)6-4-5-7-18-10-14-20(24)15-11-18/h8-16,21,29H,3,24H2,1-2H3,(H,25,27)(H,26,28)/t16-,21-/m0/s1
Definition date:	2015-09-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide

5LO

5LO
Name:	4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid
Formula:	C26 H30 O3
SMILES:	CC1(C)CCC(C)(C)c2cc3c(O[CH]4CCC[C]34c5ccc(cc5)C(O)=O)cc12
InChi:	InChI=1S/C26H30O3/c1-24(2)12-13-25(3,4)19-15-21-20(14-18(19)24)26(11-5-6-22(26)29-21)17-9-7-16(8-10-17)23(27)28/h7-10,14-15,22H,5-6,11-13H2,1-4H3,(H,27,28)/t22-,26+/m1/s1
Definition date:	2015-10-20
Last modified:	2016-03-04
Release date:	2016-03-09

5M6

5M6
Name:	1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide
Formula:	C18 H18 Cl N3 O2 S
SMILES:	Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)NC[CH]4CCCO4
InChi:	InChI=1S/C18H18ClN3O2S/c1-11-15-9-16(17(23)20-10-14-3-2-8-24-14)25-18(15)22(21-11)13-6-4-12(19)5-7-13/h4-7,9,14H,2-3,8,10H2,1H3,(H,20,23)/t14-/m1/s1
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide

5M7

5M7
Name:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Formula:	C21 H19 Cl N2 O2
SMILES:	OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
InChi:	InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

5M8

5M8
Name:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Formula:	C17 H12 Cl N O2
SMILES:	Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
InChi:	InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid

5M9

5M9
Name:	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
Formula:	C17 H22 Cl N7
SMILES:	Cn1nc(nc1CCc2nn3c(C)c(Cl)cc(C)c3n2)N4CCCC4
InChi:	InChI=1S/C17H22ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(21-25)6-7-15-20-17(22-23(15)3)24-8-4-5-9-24/h10H,4-9H2,1-3H3
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5MF

5MF
Name:	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
Formula:	C17 H24 N8
SMILES:	CCc1cnc(C)n2nc(CCc3nc(nn3C)N4CCCC4)nc12
InChi:	InChI=1S/C17H24N8/c1-4-13-11-18-12(2)25-16(13)19-14(21-25)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

5MG

5MG
Name:	3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one
Formula:	C20 H12 Cl F3 N4 O2
SMILES:	FC(F)(F)Oc1cccc(c1)N2C=CC(=O)C(=N2)c3nc(Cl)[nH]c3c4ccccc4
InChi:	InChI=1S/C20H12ClF3N4O2/c21-19-25-16(12-5-2-1-3-6-12)18(26-19)17-15(29)9-10-28(27-17)13-7-4-8-14(11-13)30-20(22,23)24/h1-11H,(H,25,26)
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one

5O5

5O5
Name:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
Formula:	C8 H6 Cl2 N4 O
SMILES:	Clc1ccc(OCc2[nH]nnn2)cc1Cl
InChi:	InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
Definition date:	2015-10-29
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole

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