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AXJ

AXJ
Name:	[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol
Formula:	C15 H25 N O
SMILES:	CC1(C)[CH]2CC=C(CN3CCC[CH]3CO)[CH]1C2
InChi:	InChI=1S/C15H25NO/c1-15(2)12-6-5-11(14(15)8-12)9-16-7-3-4-13(16)10-17/h5,12-14,17H,3-4,6-10H2,1-2H3/t12-,13+,14-/m0/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	[(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol

AXS

AXS
Name:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
Formula:	C12 H16 F N O
SMILES:	Fc1ccc(CNC[CH]2CCCO2)cc1
InChi:	InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine

AXV

AXV
Name:	1~{H}-benzimidazol-2-ylcyanamide
Formula:	C8 H6 N4
SMILES:	N#CNc1[nH]c2ccccc2n1
InChi:	InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1~{H}-benzimidazol-2-ylcyanamide

AYJ

AYJ
Name:	2-[cyclohexyl(methylsulfonyl)amino]ethanamide
Formula:	C9 H18 N2 O3 S
SMILES:	C[S](=O)(=O)N(CC(N)=O)C1CCCCC1
InChi:	InChI=1S/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[cyclohexyl(methylsulfonyl)amino]ethanamide

AYS

AYS
Name:	2-[(4-chlorophenyl)amino]benzamide
Formula:	C13 H11 Cl N2 O
SMILES:	NC(=O)c1ccccc1Nc2ccc(Cl)cc2
InChi:	InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[(4-chlorophenyl)amino]benzamide

AYV

AYV
Name:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
Formula:	C11 H16 N2 O3
SMILES:	CC(CO)(CO)NC(=O)Nc1ccccc1
InChi:	InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

B0A

B0A
Name:	~{N}-cyclohexyl-2-phenoxy-ethanamide
Formula:	C14 H19 N O2
SMILES:	O=C(COc1ccccc1)NC2CCCCC2
InChi:	InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-cyclohexyl-2-phenoxy-ethanamide

B0G

B0G
Name:	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
Formula:	C13 H17 N O3
SMILES:	OC1CCN(CC1)C(=O)OCc2ccccc2
InChi:	InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(phenylmethyl) 4-oxidanylpiperidine-1-carboxylate

B0J

B0J
Name:	4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol
Formula:	C14 H21 N O2
SMILES:	CC1(C)C[CH](CCO1)NCc2ccc(O)cc2
InChi:	InChI=1S/C14H21NO2/c1-14(2)9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h3-6,12,15-16H,7-10H2,1-2H3/t12-/m0/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol

B0M

B0M
Name:	1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
Formula:	C14 H17 N3 O
SMILES:	CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2
InChi:	InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone

B0V

B0V
Name:	2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide
Formula:	C12 H17 N O2
SMILES:	COCC(=O)Nc1c(C)cc(C)cc1C
InChi:	InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

B0Y

B0Y
Name:	5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
Formula:	C12 H15 N3 O S
SMILES:	CCc1sc(cc1)C(=O)NCc2cnn(C)c2
InChi:	InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

B1A

B1A
Name:	~{N}-(4-phenylazanylphenyl)ethanamide
Formula:	C14 H14 N2 O
SMILES:	CC(=O)Nc1ccc(Nc2ccccc2)cc1
InChi:	InChI=1S/C14H14N2O/c1-11(17)15-13-7-9-14(10-8-13)16-12-5-3-2-4-6-12/h2-10,16H,1H3,(H,15,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-(4-phenylazanylphenyl)ethanamide

B1J

B1J
Name:	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol
Formula:	C9 H8 Cl N3 O
SMILES:	OCc1cn(nn1)c2ccc(Cl)cc2
InChi:	InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]methanol

B7S

B7S
Name:	5,7-dihydroxy-4H-1-benzopyran-4-one
Formula:	C9 H6 O4
SMILES:	C1(C=COc2c1c(cc(c2)O)O)=O
InChi:	InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
Definition date:	2017-08-04
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	5,7-dihydroxy-4H-1-benzopyran-4-one

B9K

B9K
Name:	4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
Formula:	C20 H23 N5 O S
SMILES:	CSc1[nH]c(c(C)n1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
InChi:	InChI=1S/C20H23N5OS/c1-14-19(24-20(22-14)27-2)15-7-8-21-18(13-15)23-16-3-5-17(6-4-16)25-9-11-26-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,21,23)(H,22,24)
Definition date:	2017-09-26
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-(4-methyl-2-methylsulfanyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine

0B5

0B5
Name:	~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
Formula:	C19 H18 F5 N5 O3
SMILES:	CC(F)(F)[CH]1OC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N
InChi:	InChI=1S/C19H18F5N5O3/c1-18(14(22)15(19(2,23)24)32-17(25)29-18)10-5-9(3-4-11(10)21)28-16(30)12-6-27-13(7-26-12)31-8-20/h3-7,14-15H,8H2,1-2H3,(H2,25,29)(H,28,30)/t14-,15-,18+/m0/s1
Definition date:	2017-09-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-[3-[(4~{R},5~{R},6~{S})-2-azanyl-6-[1,1-bis(fluoranyl)ethyl]-5-fluoranyl-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide

BGE

BGE
Name:	4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
Formula:	C19 H21 N5 O
SMILES:	Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC4)c2
InChi:	InChI=1S/C19H21N5O/c1-14-19(22-13-21-14)15-6-7-20-18(12-15)23-16-2-4-17(5-3-16)24-8-10-25-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H,21,22)
Definition date:	2017-10-02
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine

BKD

BKD
Name:	1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
Formula:	C20 H22 N4 O
SMILES:	C5C(Cn4c1CCN(C(C)=O)Cc1c(c2c3c(ccc2)ncc3)n4)C5
InChi:	InChI=1S/C20H22N4O/c1-13(25)23-10-8-19-17(12-23)20(22-24(19)11-14-5-6-14)16-3-2-4-18-15(16)7-9-21-18/h2-4,7,9,14,21H,5-6,8,10-12H2,1H3
Definition date:	2017-08-09
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one

8KX

8KX
Name:	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
Formula:	C21 H12 F3 N O6 S
SMILES:	Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc4)C(F)(F)F
InChi:	InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H
Definition date:	2017-07-27
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide

8L3

8L3
Name:	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
Formula:	C18 H20 Cl2 N2 O
SMILES:	Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl
InChi:	InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
Definition date:	2017-07-27
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine

8LF

8LF
Name:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
Formula:	C21 H15 N O6 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O
InChi:	InChI=1S/C21H15NO6S/c1-11-6-8-12(9-7-11)29(27,28)22-16-10-15-17(21(26)20(16)25)19(24)14-5-3-2-4-13(14)18(15)23/h2-10,22,25-26H,1H3
Definition date:	2017-07-31
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide

8N3

8N3
Name:	(2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide
Formula:	C15 H23 N3 O3
SMILES:	CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO
InChi:	InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
Definition date:	2017-08-07
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide

8OF

8OF
Name:	N-(4-methoxyphenyl)quinolin-4-amine
Formula:	C16 H14 N2 O
SMILES:	COc1ccc(Nc2ccnc3ccccc23)cc1
InChi:	InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
Definition date:	2017-08-22
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-(4-methoxyphenyl)quinolin-4-amine

8QO

8QO
Name:	5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol
Formula:	C11 H14 N2 O2
SMILES:	COc1ccc(c(O)c1)C2=NC[CH](C)N2
InChi:	InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1
Definition date:	2017-08-25
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	5-methoxy-2-[(5~{R})-5-methyl-4,5-dihydro-1~{H}-imidazol-2-yl]phenol

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