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AFU

AFU
Name:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide
Formula:	C21 H22 N6 O
SMILES:	c1cc(ccn1)NC(=O)c2c(N)ncc(c2)c3cccc(c3)N4CCNCC4
InChi:	InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
Definition date:	2018-11-01
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide

C06

C06
Name:	[[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C16 H25 N5 O15 P2
SMILES:	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11+,14-,15+/m1/s1
Definition date:	2019-04-02
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R},6~{R})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

CV2

CV2
Name:	(S)-(1-amino-2phenylallyl)phosphonic acid
Formula:	C9 H12 N O3 P
SMILES:	N[CH](C(=C)c1ccccc1)[P](O)(O)=O
InChi:	InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1
Definition date:	2017-12-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[(1~{S})-1-azanyl-2-phenyl-prop-2-enyl]phosphonic acid

CWW

CWW
Name:	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C17 H16 Br N7 O2
SMILES:	CCNC(=O)Nc1cc(n2cc(Br)cn2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C17H16BrN7O2/c1-2-20-17(27)24-15-6-14(25-10-11(18)7-22-25)13(9-21-15)16(26)23-12-4-3-5-19-8-12/h3-10H,2H2,1H3,(H,23,26)(H2,20,21,24,27)
Definition date:	2017-12-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide

CZ5

CZ5
Name:	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
Formula:	C17 H17 N7 O2
SMILES:	CCNC(=O)Nc1cc(n2cccn2)c(cn1)C(=O)Nc3cccnc3
InChi:	InChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
Definition date:	2017-12-13
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide

D0H

D0H
Name:	6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
Formula:	C23 H25 N5 O2
SMILES:	CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(cn1)C(=O)Nc3cccc(C)c3
InChi:	InChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30)
Definition date:	2017-12-14
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide

O3P

O3P
Name:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide
Formula:	C17 H22 N4 O
SMILES:	C(N)CN(C)Cc2cncc2c1cccc(c1)NC([C@H]=C)=O
InChi:	InChI=1S/C17H22N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h3-6,9-11,19H,1,7-8,12,18H2,2H3,(H,20,22)
Definition date:	2019-06-06
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide

O6D

O6D
Name:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
Formula:	C28 H27 N3 O4
SMILES:	c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C
InChi:	InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1
Definition date:	2019-06-12
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	(2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid

EH2

EH2
Name:	2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid
Formula:	C13 H10 O2 S
SMILES:	OC(=O)c1ccccc1C=Cc2sccc2
InChi:	InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
Definition date:	2018-03-22
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid

EHH

EHH
Name:	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
Formula:	C18 H20 N4
SMILES:	Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
InChi:	InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine

EHQ

EHQ
Name:	3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
Formula:	C13 H12 N4 O
SMILES:	Cc1onc(C)c1c2n[nH]cc2c3ccncc3
InChi:	InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole

EHT

EHT
Name:	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole
Formula:	C14 H14 N4 O
SMILES:	Cn1cnc(c1c2ccncc2)c3c(C)onc3C
InChi:	InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole

EHW

EHW
Name:	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole
Formula:	C18 H15 F N4 O
SMILES:	Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C
InChi:	InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3
Definition date:	2018-03-23
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole

VX7

VX7
Name:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:	C24 H28 N2 O3
SMILES:	O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O
InChi:	InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
Definition date:	2019-02-25
Last modified:	2019-06-21
Release date:	2019-06-26
Identifier:	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

9O9

9O9
Name:	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol
Formula:	C18 H22 N3 O9 P
SMILES:	C3(=O)C2=Cc1c(cc(c(C)c1)C)N(C2=NC(N3)=O)CC(C(C(O)COP(O)(O)=O)O)O
InChi:	InChI=1S/C18H22N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-5,13-15,22-24H,6-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t13-,14+,15-/m0/s1
Definition date:	2018-06-12
Last modified:	2019-06-19
Release date:	2019-05-29
Identifier:	1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol

J4G

J4G
Name:	3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)
Formula:	C15 H22 N7 O9 P
SMILES:	NC(C(NC3C(C(n2c1c(c(ncn1)N)nc2)OC3COP(O)(=O)O)O)=O)CCC(O)=O
InChi:	InChI=1S/C15H22N7O9P/c16-6(1-2-8(23)24)14(26)21-9-7(3-30-32(27,28)29)31-15(11(9)25)22-5-20-10-12(17)18-4-19-13(10)22/h4-7,9,11,15,25H,1-3,16H2,(H,21,26)(H,23,24)(H2,17,18,19)(H2,27,28,29)/t6-,7+,9+,11+,15+/m0/s1
Definition date:	2018-08-09
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)

KZP

KZP
Name:	5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine
Formula:	C25 H20 Cl N7
SMILES:	c2cnc(Nc1ccc(Cl)cc1)c5c2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C
InChi:	InChI=1S/C25H20ClN7/c1-3-33-25-22(23(27)29-14-30-25)21(32-33)11-10-18-15(2)4-9-20-19(18)12-13-28-24(20)31-17-7-5-16(26)6-8-17/h4-9,12-14H,3H2,1-2H3,(H,28,31)(H2,27,29,30)
Definition date:	2019-01-28
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine

F6G

F6G
Name:	6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one
Formula:	C8 H17 N4 O13 P3
SMILES:	C1(NC(N)=NCN1C2OC(C(C2)O)COP(O)(=O)OP(O)(OP(O)(O)=O)=O)=O
InChi:	InChI=1S/C8H17N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h4-6,13H,1-3H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,10,11,14)/t4-,5+,6+/m0/s1
Definition date:	2018-03-05
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one

H8A

H8A
Name:	3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile
Formula:	C18 H15 N5 O2
SMILES:	c2(Oc1cccc(c1)C#N)c4c(c3c(c2)nc(nc3N)N)OCC4C
InChi:	InChI=1S/C18H15N5O2/c1-9-8-24-16-14(9)13(25-11-4-2-3-10(5-11)7-19)6-12-15(16)17(20)23-18(21)22-12/h2-6,9H,8H2,1H3,(H4,20,21,22,23)/t9-/m0/s1
Definition date:	2018-06-15
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile

H9G

H9G
Name:	(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine
Formula:	C18 H16 N8 O2
SMILES:	c1(cccc(c1)c2nnnn2)Oc5c3c(OCC3C)c4c(N)nc(nc4c5)N
InChi:	InChI=1S/C18H16N8O2/c1-8-7-27-15-13(8)12(6-11-14(15)16(19)22-18(20)21-11)28-10-4-2-3-9(5-10)17-23-25-26-24-17/h2-6,8H,7H2,1H3,(H4,19,20,21,22)(H,23,24,25,26)/t8-/m0/s1
Definition date:	2018-06-18
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine

JXA

JXA
Name:	(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol
Formula:	C13 H14 Cl2 N4 O2
SMILES:	C1(C(CNC1Cn3cc(c2cc(cc(Cl)c2)Cl)nn3)O)O
InChi:	InChI=1S/C13H14Cl2N4O2/c14-8-1-7(2-9(15)3-8)10-5-19(18-17-10)6-11-13(21)12(20)4-16-11/h1-3,5,11-13,16,20-21H,4,6H2/t11-,12-,13+/m1/s1
Definition date:	2018-10-08
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol

7YC

7YC
Name:	(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
Formula:	C14 H13 N3 O6
SMILES:	Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O
InChi:	InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+
Definition date:	2017-02-09
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile

KBW

KBW
Name:	Re4(mu3-OH)4(CO)12
Formula:	C12 O16 Re4
SMILES:	[Re]O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O
InChi:	InChI=1S/12CHO.4O.4Re/c12*1-2
Definition date:	2019-05-10
Last modified:	2019-06-14
Release date:	2019-06-19

503

503
Name:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate
Formula:	C24 H28 F N3 O5 S
SMILES:	COc1[nH]c2ccc(F)cc2c1C(=O)OCC3CCN(CCN[S](=O)(=O)c4ccccc4)CC3
InChi:	InChI=1S/C24H28FN3O5S/c1-32-23-22(20-15-18(25)7-8-21(20)27-23)24(29)33-16-17-9-12-28(13-10-17)14-11-26-34(30,31)19-5-3-2-4-6-19/h2-8,15,17,26-27H,9-14,16H2,1H3
Definition date:	2018-03-02
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate

9NL

9NL
Name:	(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
Formula:	C9 H8 F2 O3
SMILES:	OC(=O)C(C(c1ccccc1)(F)F)O
InChi:	InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1
Definition date:	2018-06-06
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid

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