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L3Q

L3Q
Name:	(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
Formula:	C6 H10 N2 O2
SMILES:	O=C1OC[CH]2CNCCN12
InChi:	InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1
Definition date:	2019-07-18
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

L7T

L7T
Name:	2,3,4,5,6-pentafluorobenzenesulfonamide
Formula:	C6 H2 F5 N O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide

JUT

JUT
Name:	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
Formula:	C9 H6 F2 N2 S
SMILES:	Nc1scc(n1)c2ccc(F)c(F)c2
InChi:	InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
Definition date:	2019-04-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine

K5W

K5W
Name:	2,3-bis(fluoranyl)benzenesulfonamide
Formula:	C6 H5 F2 N O2 S
SMILES:	N[S](=O)(=O)c1cccc(F)c1F
InChi:	InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2019-04-29
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3-bis(fluoranyl)benzenesulfonamide

KB5

KB5
Name:	6-azanyl-9~{H}-purine-8-thiol
Formula:	C5 H5 N5 S
SMILES:	Nc1ncnc2[nH]c(S)nc12
InChi:	InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
Definition date:	2019-05-09
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6-azanyl-9~{H}-purine-8-thiol

KBB

KBB
Name:	2,5-bis(fluoranyl)benzenesulfonamide
Formula:	C6 H5 F2 N O2 S
SMILES:	N[S](=O)(=O)c1cc(F)ccc1F
InChi:	InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2019-05-09
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,5-bis(fluoranyl)benzenesulfonamide

KBN

KBN
Name:	2-(trifluoromethyl)-9~{H}-purine-6-thiol
Formula:	C6 H3 F3 N4 S
SMILES:	FC(F)(F)c1nc(S)c2nc[nH]c2n1
InChi:	InChI=1S/C6H3F3N4S/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)
Definition date:	2019-05-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-(trifluoromethyl)-9~{H}-purine-6-thiol

KBZ

KBZ
Name:	4-cyanobenzenesulfonamide
Formula:	C7 H6 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C#N
InChi:	InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
Definition date:	2019-05-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-cyanobenzenesulfonamide

KD8

KD8
Name:	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
Formula:	C8 H8 N4 O S
SMILES:	Cc1nc2NC(=S)NC(=O)c2nc1C
InChi:	InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
Definition date:	2019-05-14
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one

KFH

KFH
Name:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C6 H3 F4 N O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
InChi:	InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
Definition date:	2019-05-20
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

KGK

KGK
Name:	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
Formula:	C7 H5 F4 N O2 S
SMILES:	Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14)
Definition date:	2019-05-21
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide

KJ5

KJ5
Name:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C8 H7 F4 N O2 S
SMILES:	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)
Definition date:	2019-05-22
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

QF1

QF1
Name:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H17 Br Cl N3 O5 S2
SMILES:	CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O
InChi:	InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3
Definition date:	2019-10-21
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide

QKP

QKP
Name:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula:	C27 H34 N2 O6
SMILES:	c2(OCC(CN1CCN(CC1)C)O)c(cc(cc2C)C3=CC(c4c(cc(cc4O3)OC)OC)=O)C
InChi:	InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
Definition date:	2019-11-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one

QZ1

QZ1
Name:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
Formula:	C19 H22 F N O2
SMILES:	c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
InChi:	InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
Definition date:	2020-01-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid

OS8

OS8
Name:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:	C24 H30 N4 O3
SMILES:	COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

OSN

OSN
Name:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:	C25 H31 N3 O2
SMILES:	COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

OSQ

OSQ
Name:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
Formula:	C22 H24 F2 N4 O2
SMILES:	C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3CCCc4ccccc34
InChi:	InChI=1S/C22H24F2N4O2/c1-14-20(29)27-17-9-4-8-16(19(17)26-14)21(30)25-12-22(23,24)13-28-11-5-7-15-6-2-3-10-18(15)28/h2-4,6,8-10,14,26H,5,7,11-13H2,1H3,(H,25,30)(H,27,29)/t14-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide

OU2

OU2
Name:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:	C30 H38 N6 O3
SMILES:	CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2
InChi:	InChI=1S/C30H38N6O3/c1-2-32-30(39)26(18-15-21-9-5-3-6-10-21)35-28(37)23-16-13-22(14-17-23)19-33-29(38)25-20-34-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,2-3,5-6,9-10,15,18-19,31H2,1H3,(H,32,39)(H,33,38)(H,35,37)/t26-/m0/s1
Definition date:	2020-04-05
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide

M0J

M0J
Name:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea
Formula:	C10 H14 N2 O2
SMILES:	N(C(=O)NCC(O)C)c1ccccc1
InChi:	InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1
Definition date:	2019-03-15
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[(2S)-2-hydroxypropyl]-N'-phenylurea

M4H

M4H
Name:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid
Formula:	C19 H19 N3 O4
SMILES:	OC(=O)C1=CN(CC2(CCCC2)n3ccc4cccnc34)C=C(O)C1=O
InChi:	InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
Definition date:	2019-10-03
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid

MU7

MU7
Name:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide
Formula:	C20 H19 I N2 O4
SMILES:	Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O
InChi:	InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2019-04-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide

Q1Y

Q1Y
Name:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide
Formula:	C28 H27 F N4 O4
SMILES:	c6(OCC1C(CCNC1)c2ccc(c(c2)C(NCc4c3c(cccc3)nn4)=O)F)cc5c(OCO5)cc6
InChi:	InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1
Definition date:	2019-09-06
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide

Q8D

Q8D
Name:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
Formula:	C13 H15 N3 O2
SMILES:	c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
InChi:	InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid

Q8G

Q8G
Name:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
Formula:	C14 H16 N2 O2
SMILES:	c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
InChi:	InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
Definition date:	2019-10-02
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid

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