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J7S

J7S
Name:	4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C16 H12 Cl N5 O2
SMILES:	O=C1CN(c2c(N1)cc(OC)cc2)c4c3c(nccc3)nc(n4)Cl
InChi:	InChI=1S/C16H12ClN5O2/c1-24-9-4-5-12-11(7-9)19-13(23)8-22(12)15-10-3-2-6-18-14(10)20-16(17)21-15/h2-7H,8H2,1H3,(H,19,23)
Definition date:	2018-08-20
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one

JJT

JJT
Name:	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
Formula:	C12 H20 N4 O3
SMILES:	OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2
InChi:	InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1
Definition date:	2019-03-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid

E0H

E0H
Name:	5-(3,4-dichlorophenyl)furan-2-carboxylic acid
Formula:	C11 H6 Cl2 O3
SMILES:	OC(=O)c1oc(cc1)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C11H6Cl2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
Definition date:	2018-02-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	5-(3,4-dichlorophenyl)furan-2-carboxylic acid

E0N

E0N
Name:	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid
Formula:	C18 H23 Cl N2 O3
SMILES:	CN1[CH](Cc2cc(Cl)ccc12)C(=O)N[CH](C3CCCCC3)C(O)=O
InChi:	InChI=1S/C18H23ClN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h7-9,11,15-16H,2-6,10H2,1H3,(H,20,22)(H,23,24)/t15-,16-/m1/s1
Definition date:	2018-02-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid

E0Q

E0Q
Name:	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid
Formula:	C12 H12 Cl N O4
SMILES:	Cc1cc2OCC(=O)N(CC(O)=O)c2c(C)c1Cl
InChi:	InChI=1S/C12H12ClNO4/c1-6-3-8-12(7(2)11(6)13)14(4-10(16)17)9(15)5-18-8/h3H,4-5H2,1-2H3,(H,16,17)
Definition date:	2018-02-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid

E0T

E0T
Name:	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid
Formula:	C11 H6 Cl2 O3
SMILES:	OC(=O)c1oc(cc1)c2cccc(Cl)c2Cl
InChi:	InChI=1S/C11H6Cl2O3/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)
Definition date:	2018-02-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid

E1W

E1W
Name:	6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one
Formula:	C12 H12 Cl N5 O2
SMILES:	Cc1cc2OCC(=O)N(Cc3[nH]nnn3)c2c(C)c1Cl
InChi:	InChI=1S/C12H12ClN5O2/c1-6-3-8-12(7(2)11(6)13)18(10(19)5-20-8)4-9-14-16-17-15-9/h3H,4-5H2,1-2H3,(H,14,15,16,17)
Definition date:	2018-02-11
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one

T90

T90
Name:	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
Formula:	C20 H21 N3 O2 S
SMILES:	COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O
InChi:	InChI=1S/C20H21N3O2S/c1-14(24)17-9-10-19(25-3)18(11-17)13-26-20-22-21-15(2)23(20)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
Definition date:	2016-06-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

O2P

O2P
Name:	N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
Formula:	C15 H15 N O2
SMILES:	N(c1ccc(cc1O)C)C(=O)c2ccccc2C
InChi:	InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide

O3A

O3A
Name:	(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
Formula:	C12 H16 N2 O
SMILES:	N(C(C1CCNC1)=O)(c2ccccc2)C
InChi:	InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide

O3D

O3D
Name:	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
Formula:	C9 H13 N O3 S
SMILES:	N1(CCS(CC1)(=O)=O)Cc2ccco2
InChi:	InChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione

O3G

O3G
Name:	N-benzyl-1-(4-fluorophenyl)methanamine
Formula:	C14 H14 F N
SMILES:	N(Cc1ccc(F)cc1)Cc2ccccc2
InChi:	InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-benzyl-1-(4-fluorophenyl)methanamine

O3M

O3M
Name:	4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
Formula:	C16 H17 N O
SMILES:	C(N1CCc2c(C1)cccc2)c3ccc(cc3)O
InChi:	InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol

O0G

O0G
Name:	(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol
Formula:	C8 H10 Cl F N2 O
SMILES:	n1c(c(cc(c1)Cl)F)NC(C)CO
InChi:	InChI=1S/C8H10ClFN2O/c1-5(4-13)12-8-7(10)2-6(9)3-11-8/h2-3,5,13H,4H2,1H3,(H,11,12)/t5-/m0/s1
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol

O0J

O0J
Name:	N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
Formula:	C11 H11 N3 O S
SMILES:	Nc2nc(c1ccc(cc1)NC(C)=O)cs2
InChi:	InChI=1S/C11H11N3OS/c1-7(15)13-9-4-2-8(3-5-9)10-6-16-11(12)14-10/h2-6H,1H3,(H2,12,14)(H,13,15)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide

O0M

O0M
Name:	1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
Formula:	C15 H23 N O
SMILES:	c1c(C(C)C)ccc(c1)CN2CCC(O)CC2
InChi:	InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol

O0P

O0P
Name:	N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide
Formula:	C8 H11 F N2 O2 S
SMILES:	NS(N(C)Cc1cc(ccc1)F)(=O)=O
InChi:	InChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide

O0S

O0S
Name:	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide
Formula:	C12 H11 N3 O2
SMILES:	n1cccnc1Oc2ccc(NC(C)=O)cc2
InChi:	InChI=1S/C12H11N3O2/c1-9(16)15-10-3-5-11(6-4-10)17-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,16)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide

O0V

O0V
Name:	(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
Formula:	C9 H13 F N2 O
SMILES:	n1c(N(C(C)CO)C)c(ccc1)F
InChi:	InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol

O0Y

O0Y
Name:	3-(diethylamino)phenol
Formula:	C10 H15 N O
SMILES:	c1(N(CC)CC)cccc(c1)O
InChi:	InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	3-(diethylamino)phenol

O1A

O1A
Name:	N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
Formula:	C13 H19 N3 O
SMILES:	N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O
InChi:	InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

O1D

O1D
Name:	3-(benzyloxy)aniline
Formula:	C13 H13 N O
SMILES:	c2(OCc1ccccc1)cc(N)ccc2
InChi:	InChI=1S/C13H13NO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10,14H2
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	3-(benzyloxy)aniline

O1J

O1J
Name:	(benzyloxy)acetic acid
Formula:	C9 H10 O3
SMILES:	c1ccccc1COCC(=O)O
InChi:	InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(benzyloxy)acetic acid

O1M

O1M
Name:	4-(4-fluorophenyl)piperazine-1-carboxamide
Formula:	C11 H14 F N3 O
SMILES:	N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
InChi:	InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-(4-fluorophenyl)piperazine-1-carboxamide

O2D

O2D
Name:	2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide
Formula:	C10 H16 N4 O
SMILES:	N(C(CC1CCCCC1)=O)n2cnnc2
InChi:	InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide

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