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5PZ

5PZ
Name:	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol
Formula:	C23 H21 Cl2 N3 O
SMILES:	Cc1ccccc1CN2C(=N)N(C[CH](O)c3ccc(Cl)c(Cl)c3)c4ccccc24
InChi:	InChI=1S/C23H21Cl2N3O/c1-15-6-2-3-7-17(15)13-27-20-8-4-5-9-21(20)28(23(27)26)14-22(29)16-10-11-18(24)19(25)12-16/h2-12,22,26,29H,13-14H2,1H3/b26-23-/t22-/m0/s1
Definition date:	2015-11-06
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(1~{R})-2-[2-azanylidene-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol

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

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

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

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

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

AY1

AY1
Name:	[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate
Formula:	C27 H38 N2 O9
SMILES:	C(Nc1c(c(ccc1)C(=O)NC2C(OC(C(C(C(=O)OC2C)CCCCCC)OC(=O)C(C)C)C)=O)O)=O
InChi:	InChI=1S/C27H38N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23,31H,6-9,11H2,1-5H3,(H,28,30)(H,29,32)/t16-,17+,19-,21+,23+/m1/s1
Definition date:	2004-01-13
Last modified:	2016-03-04
Identifier:	(2R,3S,6S,7R,8R)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)

IDK

IDK
Name:	N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
Formula:	C21 H22 N4 O3 S
SMILES:	c2(cccc(NS(=O)(CC1CC1)=O)c2)c5cc4nnc(NC(=O)C3CC3)c4cc5
InChi:	InChI=1S/C21H22N4O3S/c26-21(14-6-7-14)22-20-18-9-8-16(11-19(18)23-24-20)15-2-1-3-17(10-15)25-29(27,28)12-13-4-5-13/h1-3,8-11,13-14,25H,4-7,12H2,(H2,22,23,24,26)
Definition date:	2016-02-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide

IDV

IDV
Name:	N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide
Formula:	C19 H21 N5 O3 S
SMILES:	c1cc(cc(NS(=O)(N(C)C)=O)c1)c2cc4c(cc2)c(NC(=O)C3CC3)nn4
InChi:	InChI=1S/C19H21N5O3S/c1-24(2)28(26,27)23-15-5-3-4-13(10-15)14-8-9-16-17(11-14)21-22-18(16)20-19(25)12-6-7-12/h3-5,8-12,23H,6-7H2,1-2H3,(H2,20,21,22,25)
Definition date:	2016-02-11
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide

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

8L8

8L8
Name:	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
Formula:	C21 H24 O5
SMILES:	OC[CH]1O[CH](CC=Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H24O5/c22-13-18-20(24)21(25)19(23)17(26-18)8-4-5-14-9-11-16(12-10-14)15-6-2-1-3-7-15/h1-7,9-12,17-25H,8,13H2/b5-4-/t17-,18-,19-,20-,21-/m1/s1
Definition date:	2015-07-31
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol

RGJ

RGJ
Name:	4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE
Formula:	C19 H17 Cl F N3 O3
SMILES:	CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc(Cl)cc3F
InChi:	InChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24)
Definition date:	2015-09-08
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6,7-dimethoxy-N-methyl-quinoline-3-carboxamide

RJE

RJE
Name:	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one
Formula:	C16 H19 N5 O3
SMILES:	CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C16H19N5O3/c1-17-13-12-14(20-15(19-13)24-9-8-23-2)21(16(22)18-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,22)(H,17,19,20)
Definition date:	2015-09-08
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one

XBZ

XBZ
Name:	1,2,4-trimethylbenzene
Formula:	C9 H12
SMILES:	c1c(ccc(c1C)C)C
InChi:	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
Definition date:	2014-11-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1,2,4-trimethylbenzene

YI6

YI6
Name:	2-(4-ethoxyphenyl)ethanoic acid
Formula:	C10 H12 O3
SMILES:	CCOc1ccc(CC(O)=O)cc1
InChi:	InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(4-ethoxyphenyl)ethanoic acid

YIE

YIE
Name:	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
Formula:	C8 H6 Cl N4
SMILES:	Clc1ccc(Cc2[n-]nnn2)cc1
InChi:	InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

YIH

YIH
Name:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Formula:	C8 H5 Cl2 N4 O
SMILES:	Clc1ccc(OCc2n[n-]nn2)cc1Cl
InChi:	InChI=1S/C8H5Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene

YIP

YIP
Name:	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
Formula:	C8 H6 Cl N4 O
SMILES:	Clc1cccc(OCc2n[n-]nn2)c1
InChi:	InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1
Definition date:	2015-11-15
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene

XCZ

XCZ
Name:	1.7.6 4-methylpyrimidine-2-sulfonamide
Formula:	C5 H7 N3 O2 S
SMILES:	Cc1ccnc(n1)[S](N)(=O)=O
InChi:	InChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)
Definition date:	2015-10-28
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-methylpyrimidine-2-sulfonamide

RNE

RNE
Name:	(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
Formula:	C20 H31 N
SMILES:	CC(=CCN)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChi:	InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Definition date:	2016-01-05
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine

SZC

SZC
Name:	N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide
Formula:	C19 H18 F3 N3 O2 S
SMILES:	FC(F)(F)c1ccc(cc1)c2[nH]c3c(cccc3[S](=O)(=O)NC4CCCC4)n2
InChi:	InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-10-8-12(9-11-13)18-23-15-6-3-7-16(17(15)24-18)28(26,27)25-14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,23,24)
Definition date:	2015-11-26
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-4-sulfonamide

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