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7EB

7EB
Name:	4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C28 H28 Br N O6 S
SMILES:	c1(O)ccc(cc1)C=2C4CC(C(C=2c3ccc(cc3)OCCN(C)C)O4)S(Oc5ccc(Br)cc5)(=O)=O
InChi:	InChI=1S/C28H28BrNO6S/c1-30(2)15-16-34-22-11-5-19(6-12-22)27-26(18-3-9-21(31)10-4-18)24-17-25(28(27)35-24)37(32,33)36-23-13-7-20(29)8-14-23/h3-14,24-25,28,31H,15-17H2,1-2H3/t24-,25+,28+/m0/s1
Definition date:	2016-10-14
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

7EC

7EC
Name:	4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C31 H32 Br N O6 S
SMILES:	c1(O)ccc(cc1)C4=C(c3ccc(OCCN2CCCCC2)cc3)C5C(CC4O5)S(=O)(Oc6ccc(cc6)Br)=O
InChi:	InChI=1S/C31H32BrNO6S/c32-23-8-14-26(15-9-23)39-40(35,36)28-20-27-29(21-4-10-24(34)11-5-21)30(31(28)38-27)22-6-12-25(13-7-22)37-19-18-33-16-2-1-3-17-33/h4-15,27-28,31,34H,1-3,16-20H2/t27-,28+,31+/m0/s1
Definition date:	2016-10-14
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4-bromophenyl (1S,2R,4S)-5-(4-hydroxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

9ZQ

9ZQ
Name:	Ru(phen)2(dppz-11,12-Me2)
Formula:	C44 H30 N8 Ru
SMILES:	Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C
InChi:	InChI=1S/C20H14N4.2C12H8N2.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17
Definition date:	2016-07-05
Last modified:	2017-02-10
Release date:	2017-02-15

67K

67K
Name:	4-hydroxy[2,2'-bipyridine]-6-carbaldehyde
Formula:	C11 H8 N2 O2
SMILES:	c2c(c1nc(C=O)cc(c1)O)nccc2
InChi:	InChI=1S/C11H8N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-7H,(H,13,15)
Definition date:	2016-02-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4-hydroxy[2,2'-bipyridine]-6-carbaldehyde

67L

67L
Name:	6-(hydroxymethyl)[2,2'-bipyridin]-4-ol
Formula:	C11 H10 N2 O2
SMILES:	c1cccnc1c2cc(O)cc(n2)CO
InChi:	InChI=1S/C11H10N2O2/c14-7-8-5-9(15)6-11(13-8)10-3-1-2-4-12-10/h1-6,14H,7H2,(H,13,15)
Definition date:	2016-02-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	6-(hydroxymethyl)[2,2'-bipyridin]-4-ol

B06

B06
Name:	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid
Formula:	C16 H10 F3 N O3
SMILES:	OC(=O)c1cccc2CN(C(=O)c12)c3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C16H10F3NO3/c17-16(18,19)10-4-2-5-11(7-10)20-8-9-3-1-6-12(15(22)23)13(9)14(20)21/h1-7H,8H2,(H,22,23)
Definition date:	2016-06-20
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid

QJS

QJS
Name:	5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid
Formula:	C19 H15 F N2 O3
SMILES:	OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[CH]3C[CH]3c4ccccc4
InChi:	InChI=1S/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)/t12-,13+/m1/s1
Definition date:	2017-01-06
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid

R8C

R8C
Name:	2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide
Formula:	C24 H19 F4 N3 O2
SMILES:	CC(C(Oc1cc2c(cc1)n(nc2)c3ccc(F)cc3)c4ccccc4)NC(=O)C(F)(F)F
InChi:	InChI=1S/C24H19F4N3O2/c1-15(30-23(32)24(26,27)28)22(16-5-3-2-4-6-16)33-20-11-12-21-17(13-20)14-29-31(21)19-9-7-18(25)8-10-19/h2-15,22H,1H3,(H,30,32)/t15-,22-/m0/s1
Definition date:	2016-06-09
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide

6TJ

6TJ
Name:	3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid
Formula:	C15 H11 N O3
SMILES:	OC(=O)c1cccc2CN(C(=O)c12)c3ccccc3
InChi:	InChI=1S/C15H11NO3/c17-14-13-10(5-4-8-12(13)15(18)19)9-16(14)11-6-2-1-3-7-11/h1-8H,9H2,(H,18,19)
Definition date:	2016-06-21
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid

6TU

6TU
Name:	(1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid
Formula:	C19 H17 N O4
SMILES:	COc1cccc(c1)N2[CH](CC=C)c3cccc(C(O)=O)c3C2=O
InChi:	InChI=1S/C19H17NO4/c1-3-6-16-14-9-5-10-15(19(22)23)17(14)18(21)20(16)12-7-4-8-13(11-12)24-2/h3-5,7-11,16H,1,6H2,2H3,(H,22,23)/t16-/m0/s1
Definition date:	2016-06-22
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	(1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid

6UW

6UW
Name:	2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid
Formula:	C16 H11 Cl F N O3
SMILES:	OC(=O)c1cccc2CN(Cc3c(F)cccc3Cl)C(=O)c12
InChi:	InChI=1S/C16H11ClFNO3/c17-12-5-2-6-13(18)11(12)8-19-7-9-3-1-4-10(16(21)22)14(9)15(19)20/h1-6H,7-8H2,(H,21,22)
Definition date:	2016-06-29
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid

6WL

6WL
Name:	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Formula:	C15 H11 F3 N2 O2
SMILES:	Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F
InChi:	InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol

6WS

6WS
Name:	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene
Formula:	C14 H8 Cl4
SMILES:	Clc1ccc(cc1)C(=C(Cl)Cl)c2ccc(Cl)cc2
InChi:	InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene

6WT

6WT
Name:	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene
Formula:	C14 H9 Cl5
SMILES:	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChi:	InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
Definition date:	2016-07-11
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene

6X8

6X8
Name:	2-iodanylphenol
Formula:	C6 H5 I O
SMILES:	Oc1ccccc1I
InChi:	InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
Definition date:	2016-07-12
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-iodanylphenol

H32

H32
Name:	2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid
Formula:	C15 H10 F N O4
SMILES:	OC(=O)c1cccc2CN(C(=O)c12)c3ccc(O)c(F)c3
InChi:	InChI=1S/C15H10FNO4/c16-11-6-9(4-5-12(11)18)17-7-8-2-1-3-10(15(20)21)13(8)14(17)19/h1-6,18H,7H2,(H,20,21)
Definition date:	2016-07-29
Last modified:	2017-02-10
Release date:	2017-02-15
Identifier:	2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid

W06

W06
Name:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid
Formula:	C17 H11 F11 N2 O3
SMILES:	OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C17H11F11N2O3/c18-13(19,14(20,21)15(22,23)16(24,25)17(26,27)28)12(33)30-10(11(31)32)5-7-6-29-9-4-2-1-3-8(7)9/h1-4,6,10,29H,5H2,(H,30,33)(H,31,32)/t10-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid

W0T

W0T
Name:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid
Formula:	C18 H11 F13 N2 O3
SMILES:	OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C18H11F13N2O3/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)12(36)33-10(11(34)35)5-7-6-32-9-4-2-1-3-8(7)9/h1-4,6,10,32H,5H2,(H,33,36)(H,34,35)/t10-/m0/s1
Definition date:	2016-02-18
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid

W10

W10
Name:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid
Formula:	C21 H11 F19 N2 O3
SMILES:	OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C21H11F19N2O3/c22-13(23,12(45)42-10(11(43)44)5-7-6-41-9-4-2-1-3-8(7)9)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)40/h1-4,6,10,41H,5H2,(H,42,45)(H,43,44)/t10-/m0/s1
Definition date:	2016-02-18
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid

W1Z

W1Z
Name:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid
Formula:	C23 H11 F23 N2 O3
SMILES:	OC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C23H11F23N2O3/c24-13(25,12(51)48-10(11(49)50)5-7-6-47-9-4-2-1-3-8(7)9)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)22(42,43)23(44,45)46/h1-4,6,10,47H,5H2,(H,48,51)(H,49,50)/t10-/m0/s1
Definition date:	2016-02-17
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid

82V

82V
Name:	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one
Formula:	C19 H17 N O5 S
SMILES:	C1COCCN1C2=CC(c3c(O2)c(cs3)c5ccc4OCCOc4c5)=O
InChi:	InChI=1S/C19H17NO5S/c21-14-10-17(20-3-5-22-6-4-20)25-18-13(11-26-19(14)18)12-1-2-15-16(9-12)24-8-7-23-15/h1-2,9-11H,3-8H2
Definition date:	2016-12-20
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one

82Y

82Y
Name:	N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Formula:	C18 H16 N2 O5 S
SMILES:	c1cc(ccc1C(NO)=O)c2c3c(sc2)C(C=C(O3)N4CCOCC4)=O
InChi:	InChI=1S/C18H16N2O5S/c21-14-9-15(20-5-7-24-8-6-20)25-16-13(10-26-17(14)16)11-1-3-12(4-2-11)18(22)19-23/h1-4,9-10,23H,5-8H2,(H,19,22)
Definition date:	2016-12-20
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide

837

837
Name:	ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
Formula:	C20 H19 N O5 S
SMILES:	c1cc(C(OCC)=O)ccc1c2csc4c2OC(N3CCOCC3)=CC4=O
InChi:	InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3
Definition date:	2016-12-20
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate

85S

85S
Name:	1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one
Formula:	C26 H30 N8 O2
SMILES:	c14c(ncnn1c(c2cc(ccc2)N3CCN(C(=O)C)CC3)cc4c6n(C5CCOCC5)ncc6)N
InChi:	InChI=1S/C26H30N8O2/c1-18(35)31-9-11-32(12-10-31)21-4-2-3-19(15-21)24-16-22(25-26(27)28-17-30-34(24)25)23-5-8-29-33(23)20-6-13-36-14-7-20/h2-5,8,15-17,20H,6-7,9-14H2,1H3,(H2,27,28,30)
Definition date:	2017-01-05
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one

70P

70P
Name:	(4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one
Formula:	C18 H22 N4 O2
SMILES:	c1cccc(c1)C(C)Nc2nccc(n2)N3C(COC3=O)C(C)C
InChi:	InChI=1S/C18H22N4O2/c1-12(2)15-11-24-18(23)22(15)16-9-10-19-17(21-16)20-13(3)14-7-5-4-6-8-14/h4-10,12-13,15H,11H2,1-3H3,(H,19,20,21)/t13-,15+/m0/s1
Definition date:	2016-08-08
Last modified:	2017-02-03
Release date:	2017-02-08
Identifier:	(4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one

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