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GZH

GZH
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
Formula:	C16 H15 Cl F3 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
InChi:	InChI=1S/C16H15ClF3N3O3S/c17-14-6-3-11(9-13(14)16(18,19)20)23-15(24)22-8-7-10-1-4-12(5-2-10)27(21,25)26/h1-6,9H,7-8H2,(H2,21,25,26)(H2,22,23,24)
Definition date:	2018-10-26
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

KC4

KC4
Name:	N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
Formula:	C22 H24 F3 N3 O4
SMILES:	C2(CCC(NC(=O)Nc1ccc(cc1)OC(F)(F)F)CC2)Oc3ccc(C(NC)=O)cc3
InChi:	InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-
Definition date:	2018-11-19
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide

H0W

H0W
Name:	6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide
Formula:	C40 H37 Cl2 N7 O3
SMILES:	C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cccnc5N6CCC(CC6)N7CCCOC7=O)c8ccc(Cl)cc8
InChi:	InChI=1S/C40H37Cl2N7O3/c1-25(26-10-12-28(41)13-11-26)49-24-44-35(27-7-3-2-4-8-27)37(49)34-31-15-14-29(42)23-33(31)45-36(34)39(50)46-32-9-5-18-43-38(32)47-20-16-30(17-21-47)48-19-6-22-52-40(48)51/h2-5,7-15,18,23-25,30,45H,6,16-17,19-22H2,1H3,(H,46,50)/t25-/m0/s1
Definition date:	2018-11-01
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]pyridin-3-yl]-1~{H}-indole-2-carboxamide

KDS

KDS
Name:	4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
Formula:	C23 H22 F3 N3 O2
SMILES:	c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F
InChi:	InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30)
Definition date:	2018-11-26
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

H1Z

H1Z
Name:	4-butoxybenzenesulfonamide
Formula:	C10 H15 N O3 S
SMILES:	CCCCOc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
Definition date:	2018-11-05
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	4-butoxybenzenesulfonamide

H3B

H3B
Name:	3-trimethylsilylpropane-1-sulfonic acid
Formula:	C6 H16 O3 S Si
SMILES:	C[Si](C)(C)CCC[S](O)(=O)=O
InChi:	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)
Definition date:	2018-11-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-trimethylsilylpropane-1-sulfonic acid

H4N

H4N
Name:	5-bromanyl-1~{H}-indole
Formula:	C8 H6 Br N
SMILES:	Brc1ccc2[nH]ccc2c1
InChi:	InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
Definition date:	2018-11-15
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	5-bromanyl-1~{H}-indole

KJ1

KJ1
Name:	N-(8-amino-8-oxooctyl)nonanamide
Formula:	C17 H34 N2 O2
SMILES:	C(CNC(CCCCCCCC)=O)CCCCCC(=O)N
InChi:	InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21)
Definition date:	2018-12-10
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-(8-amino-8-oxooctyl)nonanamide

MKP

MKP
Name:	3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
Formula:	C21 H21 N5 O3
SMILES:	c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O
InChi:	InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27)
Definition date:	2019-04-08
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide

QCV

QCV
Name:	N-(4-nitrophenyl)methanimine
Formula:	C7 H6 N2 O2
SMILES:	C=Nc1ccc(cc1)N(=O)=O
InChi:	InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2
Definition date:	2019-10-16
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-(4-nitrophenyl)methanimine

QL7

QL7
Name:	N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C24 H27 F N6 O4
SMILES:	C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5
InChi:	InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1
Definition date:	2019-11-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

HJB

HJB
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid
Formula:	C10 H12 B O5
SMILES:	OC(=O)CCc1cccc2CO[B-](O)(O)c12
InChi:	InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1
Definition date:	2018-12-07
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid

HLH

HLH
Name:	2-heptyl-1~{H}-quinolin-4-one
Formula:	C16 H21 N O
SMILES:	CCCCCCCC1=CC(=O)c2ccccc2N1
InChi:	InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	2-heptyl-1~{H}-quinolin-4-one

HLK

HLK
Name:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C13 H11 F4 N3
SMILES:	Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine

HLQ

HLQ
Name:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Formula:	C15 H15 F4 N3
SMILES:	Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F
InChi:	InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22)
Definition date:	2018-12-13
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine

CQO

CQO
Name:	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine
Formula:	C18 H20 N2 O2 S
SMILES:	COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1
InChi:	InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3
Definition date:	2019-05-14
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine

GV7

GV7
Name:	4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol
Formula:	C12 H11 N5 O
SMILES:	n12c(cc(C)nc1ncn2)Nc3ccc(O)cc3
InChi:	InChI=1S/C12H11N5O/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(18)5-3-9/h2-7,16,18H,1H3
Definition date:	2018-06-01
Last modified:	2019-11-12
Release date:	2019-04-10
Identifier:	4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol

FOZ

FOZ
Name:	N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
Formula:	C20 H23 N7 O7
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)N=C(NC=3NC2)N)CCC(=O)O
InChi:	InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
Definition date:	2011-09-12
Last modified:	2019-11-12
Identifier:	N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

M8Z

M8Z
Name:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
Formula:	C24 H30 N8 O
SMILES:	CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(c1)C(C)(C)C#N
InChi:	InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1
Definition date:	2019-10-08
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide

M92

M92
Name:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide
Formula:	C21 H31 N7 O
SMILES:	CC(C)c1cc(Nc2nc(ncc2C(N)=O)N3CCC[CH](N)C3)cc(n1)C(C)C
InChi:	InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
Definition date:	2019-10-08
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide

K8D

K8D
Name:	4-(methylamino)benzene-1,2-dicarboxylic acid
Formula:	C9 H9 N O4
SMILES:	c1(cc(NC)ccc1C(O)=O)C(O)=O
InChi:	InChI=1S/C9H9NO4/c1-10-5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2018-11-08
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	4-(methylamino)benzene-1,2-dicarboxylic acid

K8G

K8G
Name:	4-nitrobenzene-1,2-dicarboxylic acid
Formula:	C8 H5 N O6
SMILES:	C(O)(c1c(C(O)=O)ccc([N+](=O)[O-])c1)=O
InChi:	InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
Definition date:	2018-11-08
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	4-nitrobenzene-1,2-dicarboxylic acid

K8J

K8J
Name:	4-fluorobenzene-1,2-dicarboxylic acid
Formula:	C8 H5 F O4
SMILES:	c1(cc(ccc1C(O)=O)F)C(O)=O
InChi:	InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
Definition date:	2018-11-08
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	4-fluorobenzene-1,2-dicarboxylic acid

NJS

NJS
Name:	Itaconyl coenzyme A
Formula:	C26 H42 N7 O19 P3 S
SMILES:	C/C(C(=O)O)=C/C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O
InChi:	InChI=1S/C26H42N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14-15,18-20,24,28,34,36-37H,4-7,9-10H2,1-3H3,(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b13-8-/t14-,15+,18-,19-,20+,24-/m1/s1
Definition date:	2019-05-14
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	5'-O-[(S)-{[(S)-[(3R)-4-({(3S)-3-[(2-{[(2Z)-3-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-hydroxypropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)

KAY

KAY
Name:	4-methylbenzene-1,2-dicarboxylic acid
Formula:	C9 H8 O4
SMILES:	C(c1cc(C)ccc1C(O)=O)(O)=O
InChi:	InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
Definition date:	2018-11-16
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	4-methylbenzene-1,2-dicarboxylic acid

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