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60E

60E
Name:	2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
Formula:	C26 H33 N9 O3 S
SMILES:	CC[CH](C)n1nc(N2CC(C2)C(C)(C)O)c3cnc(Nc4ccnc(n4)c5cnn(c5)[S](=O)(=O)C6CC6)cc13
InChi:	InChI=1S/C26H33N9O3S/c1-5-16(2)35-21-10-23(28-12-20(21)25(32-35)33-14-18(15-33)26(3,4)36)30-22-8-9-27-24(31-22)17-11-29-34(13-17)39(37,38)19-6-7-19/h8-13,16,18-19,36H,5-7,14-15H2,1-4H3,(H,27,28,30,31)/t16-/m0/s1
Definition date:	2016-01-07
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol

63D

63D
Name:	4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid
Formula:	C24 H32 Cl N O7 S
SMILES:	O=C(c1cc(S(=O)(=O)N)c(Cl)cc1OCc2cc(O)cc(c2)OCCCCCCCCCC)O
InChi:	InChI=1S/C24H32ClNO7S/c1-2-3-4-5-6-7-8-9-10-32-19-12-17(11-18(27)13-19)16-33-22-15-21(25)23(34(26,30)31)14-20(22)24(28)29/h11-15,27H,2-10,16H2,1H3,(H,28,29)(H2,26,30,31)
Definition date:	2016-01-19
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	4-chloro-2-{[3-(decyloxy)-5-hydroxybenzyl]oxy}-5-sulfamoylbenzoic acid

4Z0

4Z0
Name:	(3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid
Formula:	C9 H6 O5 S
SMILES:	c1cc(C(=O)O[C@H]=[C@H]C(C(O)=O)=O)sc1
InChi:	InChI=1S/C9H6O5S/c10-6(8(11)12)3-4-14-9(13)7-2-1-5-15-7/h1-5H,(H,11,12)/b4-3+
Definition date:	2015-06-29
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	(3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid

5FJ

5FJ
Name:	N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide
Formula:	C21 H24 F3 N7 O2
SMILES:	C(F)(F)(F)c1oc(nn1)c4cnc(N3CCC(n2c(C(NC(C)(C)C)=O)cnc2)CC3)cc4
InChi:	InChI=1S/C21H24F3N7O2/c1-20(2,3)27-17(32)15-11-25-12-31(15)14-6-8-30(9-7-14)16-5-4-13(10-26-16)18-28-29-19(33-18)21(22,23)24/h4-5,10-12,14H,6-9H2,1-3H3,(H,27,32)
Definition date:	2015-09-18
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide

5J7

5J7
Name:	5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside
Formula:	C36 H36 O20
SMILES:	c1c(c(O)c(O)cc1C=3Oc2cc(O)cc(O)c2C(=O)C=3OC4OC(C)C(C(C4OC5OC(C(C(C5O)O)O)COC(C=Cc6cc(O)c(O)cc6)=O)O)O)O
InChi:	InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1
Definition date:	2015-09-29
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside

5NX

5NX
Name:	3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
Formula:	C21 H20 Cl N6 O7
SMILES:	NC1=Nc2n(c[n+](Cc3cccc(Cl)c3)c2C(=O)N1)[CH]4O[CH](CNC5=C(O)C(=O)C5=O)[CH](O)[CH]4O
InChi:	InChI=1S/C21H19ClN6O7/c22-9-3-1-2-8(4-9)6-27-7-28(18-12(27)19(34)26-21(23)25-18)20-17(33)13(29)10(35-20)5-24-11-14(30)16(32)15(11)31/h1-4,7,10,13,17,20,29,33H,5-6H2,(H4-,23,24,25,26,30,31,32,34)/p+1/t10-,13-,17-,20-/m1/s1
Definition date:	2015-10-28
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione

5O8

5O8
Name:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide
Formula:	C18 H20 F3 N6 O6 S
SMILES:	NC1=Nc2n(c[n+](Cc3ccccc3)c2C(=O)N1)[CH]4O[CH](CN[S](=O)(=O)C(F)(F)F)[CH](O)[CH]4O
InChi:	InChI=1S/C18H19F3N6O6S/c19-18(20,21)34(31,32)23-6-10-12(28)13(29)16(33-10)27-8-26(7-9-4-2-1-3-5-9)11-14(27)24-17(22)25-15(11)30/h1-5,8,10,12-13,16,23,28-29H,6-7H2,(H2-,22,24,25,30)/p+1/t10-,12-,13-,16-/m1/s1
Definition date:	2015-10-29
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-1,1,1-tris(fluoranyl)methanesulfonamide

5PQ

5PQ
Name:	3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione
Formula:	C15 H17 N6 O7
SMILES:	C[n+]1cn([CH]2O[CH](CNC3=C(O)C(=O)C3=O)[CH](O)[CH]2O)c4N=C(N)NC(=O)c14
InChi:	InChI=1S/C15H16N6O7/c1-20-3-21(12-6(20)13(27)19-15(16)18-12)14-11(26)7(22)4(28-14)2-17-5-8(23)10(25)9(5)24/h3-4,7,11,14,22,26H,2H2,1H3,(H4-,16,17,18,19,23,24,25,27)/p+1/t4-,7-,11-,14-/m1/s1
Definition date:	2015-11-04
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione

4EN

4EN
Name:	[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O6 P
SMILES:	Nc1ncnc2nn(cc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
InChi:	InChI=1S/C10H14N5O6P/c11-9-5-2-15(14-10(5)13-4-12-9)8-1-6(16)7(21-8)3-20-22(17,18)19/h2,4,6-8,16H,1,3H2,(H2,17,18,19)(H2,11,12,13,14)/t6-,7+,8+/m0/s1
Definition date:	2015-07-27
Last modified:	2016-09-02
Release date:	2016-09-07
Identifier:	[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

6UC

6UC
Name:	O3-ethyl O5-methyl (4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Formula:	C22 H29 Br N2 O5
SMILES:	CCOC(=O)C1=C(COCCN(C)C)NC(=C([CH]1c2ccccc2Br)C(=O)OC)C
InChi:	InChI=1S/C22H29BrN2O5/c1-6-30-22(27)20-17(13-29-12-11-25(3)4)24-14(2)18(21(26)28-5)19(20)15-9-7-8-10-16(15)23/h7-10,19,24H,6,11-13H2,1-5H3/t19-/m1/s1
Definition date:	2016-06-27
Last modified:	2016-08-31
Release date:	2016-08-31
Identifier:	O3-ethyl O5-methyl (4R)-4-(2-bromophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

IT9

IT9
Name:	(-)-Isopiperitenone
Formula:	C10 H14 O
SMILES:	CC(=C)[CH]1CCC(=CC1=O)C
InChi:	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3/t9-/m1/s1
Definition date:	2016-06-27
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	(6~{R})-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one

IWX

IWX
Name:	N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
Formula:	C18 H19 F N2 O2
SMILES:	O=C(Nc2cc(c1ccc(F)cc1)ccc2N)C3CCOCC3
InChi:	InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
Definition date:	2016-03-25
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide

72M

72M
Name:	~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide
Formula:	C27 H28 N6 O6
SMILES:	Cc1ccc(Cc2cc(O)c(O)c(c2)C(=O)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc1
InChi:	InChI=1S/C27H28N6O6/c1-14-4-6-15(7-5-14)9-16-10-17(21(35)18(34)11-16)26(38)29-8-2-3-19-22(36)23(37)27(39-19)33-13-32-20-24(28)30-12-31-25(20)33/h2-7,10-13,19,22-23,27,34-37H,8-9H2,1H3,(H,29,38)(H2,28,30,31)/b3-2+/t19-,22-,23-,27-/m1/s1
Definition date:	2016-08-17
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide

731

731
Name:	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
Formula:	C19 H21 N5 O S
SMILES:	Cc1sc(c(C)n1)c2[nH]nc(c2)C(=O)N3CCN(CC3)c4ccccc4
InChi:	InChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22)
Definition date:	2016-08-18
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1~{H}-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

58G

58G
Name:	6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide
Formula:	C17 H19 N3 O
SMILES:	c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(N)=O
InChi:	InChI=1S/C17H19N3O/c18-17(21)14-7-9-16(19-11-14)20-15-8-6-13(10-15)12-4-2-1-3-5-12/h1-5,7,9,11,13,15H,6,8,10H2,(H2,18,21)(H,19,20)/t13-,15+/m0/s1
Definition date:	2015-08-20
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-carboxamide

5BS

5BS
Name:	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide
Formula:	C17 H16 N6 O3 S2
SMILES:	c14c(cnc(n1)Nc2ccc(S(=O)(=O)N)cc2)N(C)C(=O)c3sccc3N4C
InChi:	InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)
Definition date:	2015-09-03
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide

9RU

9RU
Name:	[1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium
Formula:	C31 H41 Cl2 N5 O2 Ru S
SMILES:	Cc1cc(C)c(N2CC[N+](=C2[Ru](Cl)Cl)c3c(C)cc(CNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)cc3C)c(C)c1
InChi:	InChI=1S/C31H41N5O2S.2ClH.Ru/c1-19-12-20(2)29(21(3)13-19)35-10-11-36(18-35)30-22(4)14-24(15-23(30)5)16-32-27(37)9-7-6-8-26-28-25(17-39-26)33-31(38)34-28
Definition date:	2015-12-02
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	[1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium

6EZ

6EZ
Name:	(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
Formula:	C20 H21 F N2 O2
SMILES:	c1(F)ccc(cc1)c2cc(c(cc2)N)NC(C3CC4CCC(C3)O4)=O
InChi:	InChI=1S/C20H21FN2O2/c21-15-4-1-12(2-5-15)13-3-8-18(22)19(11-13)23-20(24)14-9-16-6-7-17(10-14)25-16/h1-5,8,11,14,16-17H,6-7,9-10,22H2,(H,23,24)/t14-,16-,17+
Definition date:	2016-03-25
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	(3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide

6G9

6G9
Name:	2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid
Formula:	C14 H8 Br2 N4 O4 S
SMILES:	OC(=O)C(=O)Nc1ccc2nc(NC(=O)c3[nH]c(Br)c(Br)c3)sc2c1
InChi:	InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)20-14-19-7-2-1-5(3-9(7)25-14)17-12(22)13(23)24/h1-4,18H,(H,17,22)(H,23,24)(H,19,20,21)
Definition date:	2016-05-23
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid

6KX

6KX
Name:	beta-cyclocitral
Formula:	C10 H16 O
SMILES:	CC1=C(C=O)C(C)(C)CCC1
InChi:	InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
Definition date:	2016-05-27
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	2,6,6-trimethylcyclohexene-1-carbaldehyde

6MV

6MV
Name:	4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
Formula:	C30 H23 F N4 O3
SMILES:	c6c5c1c(c(ccc1c2cccc(c2F)N4C(=O)c3c(cccc3)N=C4)C(N)=O)nc5cc(C(C)(C)O)c6
InChi:	InChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36)
Definition date:	2016-05-09
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

6TA

6TA
Name:	~{tert}-butyl (2~{S})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
Formula:	C21 H30 N4 O3
SMILES:	CC(C)(C)OC(=O)N1CCC2(CC1)C[CH]2CNC(=O)N3Cc4ccncc4C3
InChi:	InChI=1S/C21H30N4O3/c1-20(2,3)28-19(27)24-8-5-21(6-9-24)10-17(21)12-23-18(26)25-13-15-4-7-22-11-16(15)14-25/h4,7,11,17H,5-6,8-10,12-14H2,1-3H3,(H,23,26)/t17-/m1/s1
Definition date:	2016-06-20
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	~{tert}-butyl (2~{S})-2-[(1,3-dihydropyrrolo[3,4-c]pyridin-2-ylcarbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

6U7

6U7
Name:	6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine
Formula:	C23 H21 N3 O3
SMILES:	COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3C)c2cc1OC
InChi:	InChI=1S/C23H21N3O3/c1-15-11-17(29-16-7-5-4-6-8-16)9-10-19(15)26-23-18-12-21(27-2)22(28-3)13-20(18)24-14-25-23/h4-14H,1-3H3,(H,24,25,26)
Definition date:	2016-06-27
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	6,7-dimethoxy-~{N}-(2-methyl-4-phenoxy-phenyl)quinazolin-4-amine

6U8

6U8
Name:	(2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile
Formula:	C25 H33 Br N2 O2
SMILES:	COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccccc2Br)cc1OC
InChi:	InChI=1S/C25H33BrN2O2/c1-19(2)25(18-27,21-9-6-7-10-22(21)26)14-8-15-28(3)16-13-20-11-12-23(29-4)24(17-20)30-5/h6-7,9-12,17,19H,8,13-16H2,1-5H3/t25-/m1/s1
Definition date:	2016-06-27
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	(2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile

6X6

6X6
Name:	2,3-dimethoxybenzoic acid
Formula:	C9 H10 O4
SMILES:	COc1cccc(C(O)=O)c1OC
InChi:	InChI=1S/C9H10O4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5H,1-2H3,(H,10,11)
Definition date:	2016-07-12
Last modified:	2016-08-24
Release date:	2016-08-31
Identifier:	2,3-dimethoxybenzoic acid

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