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JQE

JQE
Name:	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid
Formula:	C10 H6 Cl2 O2 S
SMILES:	OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12
InChi:	InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14)
Definition date:	2019-03-20
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid

JQW

JQW
Name:	4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine
Formula:	C12 H8 Cl2 N4
SMILES:	Nc1nccc(n1)c2c[nH]c3c(Cl)c(Cl)ccc23
InChi:	InChI=1S/C12H8Cl2N4/c13-8-2-1-6-7(5-17-11(6)10(8)14)9-3-4-16-12(15)18-9/h1-5,17H,(H2,15,16,18)
Definition date:	2019-03-21
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine

JRE

JRE
Name:	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide
Formula:	C16 H17 Cl N4 O2
SMILES:	C[CH](O)c1c(Cl)cncc1c2cnc3N(CCCc3c2)C(N)=O
InChi:	InChI=1S/C16H17ClN4O2/c1-9(22)14-12(7-19-8-13(14)17)11-5-10-3-2-4-21(16(18)23)15(10)20-6-11/h5-9,22H,2-4H2,1H3,(H2,18,23)/t9-/m0/s1
Definition date:	2019-03-21
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide

JTW

JTW
Name:	4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide
Formula:	C15 H15 Cl N2 O6 S2
SMILES:	N[S](=O)(=O)c1cc(C(=O)NCCO)c(cc1Cl)[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C15H15ClN2O6S2/c16-12-9-13(25(21,22)10-4-2-1-3-5-10)11(15(20)18-6-7-19)8-14(12)26(17,23)24/h1-5,8-9,19H,6-7H2,(H,18,20)(H2,17,23,24)
Definition date:	2019-03-27
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide

L4K

L4K
Name:	4-pentylbenzenesulfonamide
Formula:	C11 H17 N O2 S
SMILES:	CCCCCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
Definition date:	2019-07-21
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-pentylbenzenesulfonamide

LOY

LOY
Name:	5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
Formula:	C27 H44 N9 O11 P S2
SMILES:	N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)=O)(C)C)O)=O)=O
InChi:	InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16-,17+,20-,21-,22+,26-/m1/s1
Definition date:	2019-03-07
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine

MJD

MJD
Name:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
Formula:	C33 H42 F2 N4 O8 S
SMILES:	C12CC3COC1OCC2C3OC(=O)NC(Cc4cc(cc(c4)F)F)C(O)CN(CC(C)C)S(=O)(=O)c5cc6c(cc5)nc(o6)NC(C)C
InChi:	InChI=1S/C33H42F2N4O8S/c1-17(2)13-39(48(42,43)23-5-6-26-29(12-23)46-32(37-26)36-18(3)4)14-28(40)27(9-19-7-21(34)11-22(35)8-19)38-33(41)47-30-20-10-24-25(30)16-45-31(24)44-15-20/h5-8,11-12,17-18,20,24-25,27-28,30-31,40H,9-10,13-16H2,1-4H3,(H,36,37)(H,38,41)/t20-,24-,25-,27+,28-,30+,31+/m1/s1
Definition date:	2019-04-04
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate

O6W

O6W
Name:	4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide
Formula:	C13 H13 F3 N2 O2 S
SMILES:	FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1
InChi:	InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2
Definition date:	2020-02-17
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide

O6Z

O6Z
Name:	~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide
Formula:	C11 H15 N3 O2 S
SMILES:	CCCC[S](=O)(=O)Nc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C11H15N3O2S/c1-2-3-6-17(15,16)14-10-4-5-11-9(7-10)8-12-13-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,12,13)
Definition date:	2020-02-17
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide

OKZ

OKZ
Name:	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
Formula:	C13 H14 N2 O4 S
SMILES:	CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
Definition date:	2020-03-19
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide

OL8

OL8
Name:	~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
Formula:	C15 H10 N2 O4
SMILES:	O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3
InChi:	InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)
Definition date:	2020-03-19
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide

OQH

OQH
Name:	~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide
Formula:	C12 H15 N O2
SMILES:	CCNC(=O)CCC(=O)c1ccccc1
InChi:	InChI=1S/C12H15NO2/c1-2-13-12(15)9-8-11(14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
Definition date:	2020-03-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide

96H

96H
Name:	Triisopropanolamine
Formula:	C9 H21 N O3
SMILES:	C[CH](O)CN(C[CH](C)O)C[CH](C)O
InChi:	InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
Definition date:	2017-04-25
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(2~{S})-1-[bis[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol

QPV

QPV
Name:	3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
Formula:	C21 H23 Cl N2 O2
SMILES:	C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O
InChi:	InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
Definition date:	2019-12-06
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide

R1V

R1V
Name:	N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
Formula:	C15 H25 N O4
SMILES:	CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O
InChi:	InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1
Definition date:	2020-01-23
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid

R4S

R4S
Name:	N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
Formula:	C18 H22 F N7 O2
SMILES:	n1cc(cn1CCO)Nc2ncc(c(n2)N3CC4C(C3)(C4)NC(C5CC5)=O)F
InChi:	InChI=1S/C18H22FN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12-,18-/m1/s1
Definition date:	2020-01-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide

R4V

R4V
Name:	(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
Formula:	C18 H20 F3 N7 O
SMILES:	n1c(ncc(c1N3CC2C(C2C)(C3)NC(C4C(F)(C4)F)=O)F)Nc5cn(nc5)C
InChi:	InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1
Definition date:	2020-01-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide

R4Y

R4Y
Name:	(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
Formula:	C19 H21 F N8 O2
SMILES:	N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C#N)C5)=O
InChi:	InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12-,14+,19-/m1/s1
Definition date:	2020-01-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide

R5D

R5D
Name:	(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
Formula:	C19 H21 F N8 O2
SMILES:	N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C5)C#N)=O
InChi:	InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12+,14+,19+/m0/s1
Definition date:	2020-01-30
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide

R67

R67
Name:	3-(methylsulfonyl)-2-oxopropanoic acid
Formula:	C4 H6 O5 S
SMILES:	CS(CC(=O)C(O)=O)(=O)=O
InChi:	InChI=1S/C4H6O5S/c1-10(8,9)2-3(5)4(6)7/h2H2,1H3,(H,6,7)
Definition date:	2020-01-31
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	3-(methylsulfonyl)-2-oxopropanoic acid

R7V

R7V
Name:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
Formula:	C30 H29 F8 N O5 S
SMILES:	c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F
InChi:	InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
Definition date:	2020-02-06
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid

RGD

RGD
Name:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
Formula:	C14 H23 N O4
SMILES:	C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO
InChi:	InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone

RGM

RGM
Name:	(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
Formula:	C14 H17 N3 O2
SMILES:	C1(=O)C43C(CC(c2cncc12)N3C)CN(C(C)=O)C4
InChi:	InChI=1S/C14H17N3O2/c1-8(18)17-6-9-3-12-10-4-15-5-11(10)13(19)14(9,7-17)16(12)2/h4-5,9,12,15H,3,6-7H2,1-2H3/t9-,12-,14+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one

RGV

RGV
Name:	(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
Formula:	C13 H15 N3 O2
SMILES:	C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C
InChi:	InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde

RH4

RH4
Name:	methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
Formula:	C13 H13 N O3
SMILES:	c2(CC(c1ccncc1)C(OC)=O)ccco2
InChi:	InChI=1S/C13H13NO3/c1-16-13(15)12(9-11-3-2-8-17-11)10-4-6-14-7-5-10/h2-8,12H,9H2,1H3/t12-/m1/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate

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