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9GK

9GK
Name:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
Formula:	C19 H16 I N O4
SMILES:	OC(=O)c1cc(OCCc2ccccc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C19H16INO4/c20-16-17(21-9-4-5-10-21)15(12-14(18(16)22)19(23)24)25-11-8-13-6-2-1-3-7-13/h1-7,9-10,12,22H,8,11H2,(H,23,24)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid

9GN

9GN
Name:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O3 S
SMILES:	CCCSc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO3S/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid

9GQ

9GQ
Name:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C15 H16 I N O4
SMILES:	CCCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C15H16INO4/c1-2-3-8-21-11-9-10(15(19)20)14(18)12(16)13(11)17-6-4-5-7-17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9GT

9GT
Name:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H12 I N O4
SMILES:	OC(=O)c1cc(OCC=C)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C14H12INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h2-6,8,17H,1,7H2,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid

9GW

9GW
Name:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O4
SMILES:	CCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid

9GZ

9GZ
Name:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C17 H11 F I N O3
SMILES:	OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9H2

9H2
Name:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
Formula:	C11 H9 I2 N O2
SMILES:	OCc1cc(I)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

9H5

9H5
Name:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
Formula:	C16 H17 I2 N3 O2
SMILES:	CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O
InChi:	InChI=1S/C16H17I2N3O2/c1-19-6-8-21(9-7-19)16(23)11-10-12(17)14(13(18)15(11)22)20-4-2-3-5-20/h2-5,10,22H,6-9H2,1H3
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone

9K4

9K4
Name:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
Formula:	C32 H52 F3 N5 O9
SMILES:	C(Cc1c(cc(c(F)c1)F)F)(N)CC(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(C)=O)CC2
InChi:	InChI=1S/C32H52F3N5O9/c1-25(41)37-2-8-44-10-12-46-14-16-48-18-19-49-17-15-47-13-11-45-9-3-38-31(42)24-39-4-6-40(7-5-39)32(43)22-27(36)20-26-21-29(34)30(35)23-28(26)33/h21,23,27H,2-20,22,24,36H2,1H3,(H,37,41)(H,38,42)/t27-/m1/s1
Definition date:	2017-05-17
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide

9QV

9QV
Name:	uridine 2',5'-bis(dihydrogen phosphate)
Formula:	C9 H14 N2 O12 P2
SMILES:	O(P(O)(=O)O)CC1C(C(C(O1)N2C=CC(=O)NC2=O)OP(O)(O)=O)O
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-7(23-25(18,19)20)6(13)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2017-05-31
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	uridine 2',5'-bis(dihydrogen phosphate)

B6J

B6J
Name:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
Formula:	C18 H14 N6 O2
SMILES:	c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O
InChi:	InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
Definition date:	2017-08-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol

AV5

AV5
Name:	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Formula:	C20 H14 Cl N3 O3
SMILES:	CC1=Nc2c(nc3ccccc3c2C(=O)N1CC(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H14ClN3O3/c1-11-22-19-17(20(27)24(11)10-16(25)26)14-4-2-3-5-15(14)23-18(19)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3,(H,25,26)
Definition date:	2017-08-23
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid

AW8

AW8
Name:	2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Formula:	C20 H15 Cl F N3 O3
SMILES:	CC1=Nc2c(nc3ccc(F)cc3c2[CH](O)N1CC(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C20H15ClFN3O3/c1-10-23-19-17(20(28)25(10)9-16(26)27)14-8-13(22)6-7-15(14)24-18(19)11-2-4-12(21)5-3-11/h2-8,20,28H,9H2,1H3,(H,26,27)/t20-/m1/s1
Definition date:	2017-08-24
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid

ET8

ET8
Name:	3-phenyl-5-(pyridin-4-yl)-1H-indazole
Formula:	C18 H13 N3
SMILES:	c4cc(c2cc1c(nnc1cc2)c3ccccc3)ccn4
InChi:	InChI=1S/C18H13N3/c1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h1-12H,(H,20,21)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-phenyl-5-(pyridin-4-yl)-1H-indazole

F4A

F4A
Name:	4-[(9H-purin-6-yl)amino]benzamide
Formula:	C12 H10 N6 O
SMILES:	O=C(N)c1ccc(cc1)Nc2ncnc3c2ncn3
InChi:	InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	4-[(9H-purin-6-yl)amino]benzamide

F4G

F4G
Name:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide
Formula:	C13 H10 N4 O
SMILES:	O=C(N)c1c2n(ccc1)c(cn2)c3cnccc3
InChi:	InChI=1S/C13H10N4O/c14-12(18)10-4-2-6-17-11(8-16-13(10)17)9-3-1-5-15-7-9/h1-8H,(H2,14,18)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide

F4J

F4J
Name:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one
Formula:	C13 H8 N6 O
SMILES:	O=C1c2c(C=N1)cc(cc2)Nc3c4ncnc4ncn3
InChi:	InChI=1S/C13H8N6O/c20-13-9-2-1-8(3-7(9)4-14-13)19-12-10-11(16-5-15-10)17-6-18-12/h1-6H,(H2,15,16,17,18,19)
Definition date:	2018-02-27
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one

F67

F67
Name:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one
Formula:	C13 H12 N4 O
SMILES:	O=C1c2c(C(N1)C)cc(cc2)Nc3ccncn3
InChi:	InChI=1S/C13H12N4O/c1-8-11-6-9(2-3-10(11)13(18)16-8)17-12-4-5-14-7-15-12/h2-8H,1H3,(H,16,18)(H,14,15,17)/t8-/m1/s1
Definition date:	2018-03-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	(3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one

FYV

FYV
Name:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
Formula:	C11 H8 N4
SMILES:	c1cc(ccn1)c2n3c(nc2)cccn3
InChi:	InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H
Definition date:	2018-04-26
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

FZJ

FZJ
Name:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
Formula:	C13 H13 N5 O2
SMILES:	c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C
InChi:	InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16)
Definition date:	2018-04-30
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

ZAZ

ZAZ
Name:	5-cyclohexylpentan-1-ol
Formula:	C11 H22 O
SMILES:	OCCCCCC1CCCCC1
InChi:	InChI=1S/C11H22O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h11-12H,1-10H2
Definition date:	2012-12-17
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	5-cyclohexylpentan-1-ol

QQH

QQH
Name:	[(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium
Formula:	C19 H23 N2 O3 S
SMILES:	C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc(C)c3C)C(O)=O
InChi:	InChI=1S/C19H22N2O3S/c1-11-6-5-7-13(12(11)2)8-14-9-16(22)21-15(19(23)24)10-25-18(21)17(14)20(3)4/h5-7,9,15H,8,10H2,1-4H3,(H,23,24)/p+1/t15-/m0/s1
Definition date:	2017-11-08
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	[(3~{R})-3-carboxy-7-[(2,3-dimethylphenyl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium

80F

80F
Name:	(2R)-3-[[(4S)-3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4H-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid
Formula:	C24 H34 N8 O16 P2 S
SMILES:	N[CH](CS[CH]1C=CN(C=C1C(N)=O)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C24H34N8O16P2S/c25-10(24(38)39)6-51-13-1-2-31(3-9(13)20(27)37)22-17(35)15(33)11(46-22)4-44-49(40,41)48-50(42,43)45-5-12-16(34)18(36)23(47-12)32-8-30-14-19(26)28-7-29-21(14)32/h1-3,7-8,10-13,15-18,22-23,33-36H,4-6,25H2,(H2,27,37)(H,38,39)(H,40,41)(H,42,43)(H2,26,28,29)/t10-,11+,12+,13-,15+,16+,17+,18+,22+,23+/m0/s1
Definition date:	2017-03-07
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	(2~{R})-3-[[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid

83X

83X
Name:	1-[2,4,6-tris(oxidanyl)phenyl]ethanone
Formula:	C8 H8 O4
SMILES:	CC(=O)c1c(O)cc(O)cc1O
InChi:	InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
Definition date:	2017-04-11
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	1-[2,4,6-tris(oxidanyl)phenyl]ethanone

K29

K29
Name:	(3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Formula:	C21 H18 N2 O3 S
SMILES:	OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cnc5ccccc5c4
InChi:	InChI=1S/C21H18N2O3S/c24-18-9-15(8-12-7-14-3-1-2-4-16(14)22-10-12)19(13-5-6-13)20-23(18)17(11-27-20)21(25)26/h1-4,7,9-10,13,17H,5-6,8,11H2,(H,25,26)/t17-/m0/s1
Definition date:	2017-10-31
Last modified:	2018-04-27
Release date:	2018-05-02
Identifier:	(3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

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