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YYR

YYR
Name:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol
Formula:	C8 H15 N O5
SMILES:	O=C(NC1C(O)C(O)C(OC1)CO)C
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1
Definition date:	2012-12-18
Last modified:	2019-11-20
Release date:	2019-11-20
Identifier:	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol

GZE

GZE
Name:	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate
Formula:	C14 H11 Cl F3 N3 O4 S
SMILES:	N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
InChi:	InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
Definition date:	2018-10-26
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

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

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

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

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

L1H

L1H
Name:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
Formula:	C23 H21 F N4 O2
SMILES:	CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(c2)c3cccnc3)nc4ccccc14
InChi:	InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29)
Definition date:	2019-07-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide

L1K

L1K
Name:	~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
Formula:	C23 H22 N4 O2
SMILES:	CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14
InChi:	InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28)
Definition date:	2019-07-12
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide

L3Z

L3Z
Name:	8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
Formula:	C24 H22 N4 O2
SMILES:	O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5
InChi:	InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29)
Definition date:	2019-07-19
Last modified:	2019-11-15
Release date:	2019-11-20

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

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

K9V

K9V
Name:	N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
Formula:	C23 H28 F2 N2 O2
SMILES:	c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3
InChi:	InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+
Definition date:	2018-11-16
Last modified:	2019-11-15
Release date:	2019-11-20
Identifier:	N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea

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

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

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

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

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)

G3J

G3J
Name:	1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Formula:	C21 H21 Cl N4 O
SMILES:	n1nccc1c3cc4C(Nc2c(cccc2)Cl)CC(C)N(C(C)=O)c4cc3
InChi:	InChI=1S/C21H21ClN4O/c1-13-11-20(24-19-6-4-3-5-17(19)22)16-12-15(18-9-10-23-25-18)7-8-21(16)26(13)14(2)27/h3-10,12-13,20,24H,11H2,1-2H3,(H,23,25)/t13-,20+/m0/s1
Definition date:	2018-05-03
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one

G7V

G7V
Name:	4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile
Formula:	C22 H21 N5 O
SMILES:	c1c(nnc1)c4cc3C(Nc2ccc(C#N)cc2)CC(C)N(C(C)=O)c3cc4
InChi:	InChI=1S/C22H21N5O/c1-14-11-21(25-18-6-3-16(13-23)4-7-18)19-12-17(20-9-10-24-26-20)5-8-22(19)27(14)15(2)28/h3-10,12,14,21,25H,11H2,1-2H3,(H,24,26)/t14-,21+/m0/s1
Definition date:	2018-05-14
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile

KS8

KS8
Name:	fosinoprilat
Formula:	C23 H34 N O5 P
SMILES:	OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
InChi:	InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
Definition date:	2019-06-19
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	(2~{S},4~{S})-4-cyclohexyl-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

KSN

KSN
Name:	(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
Formula:	C10 H16 N2 O7
SMILES:	N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
Definition date:	2019-06-20
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

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