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75P

75P
Name:	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine
Formula:	C24 H38 N6 O2
SMILES:	c12cc(OCCN)c(OC)cc1c(nc(n2)N3CCCC3)NCCCCCN4CCCC4
InChi:	InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28)
Definition date:	2016-09-01
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine

77Y

77Y
Name:	5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine
Formula:	C22 H25 N4 O9 P
SMILES:	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=CCNC(=O)Cc3c[nH]c4ccccc34)C(=O)NC2=O
InChi:	InChI=1S/C22H25N4O9P/c27-17-9-20(35-18(17)12-34-36(31,32)33)26-11-13(21(29)25-22(26)30)4-3-7-23-19(28)8-14-10-24-16-6-2-1-5-15(14)16/h1-6,10-11,17-18,20,24,27H,7-9,12H2,(H,23,28)(H,25,29,30)(H2,31,32,33)/b4-3+/t17-,18+,20+/m0/s1
Definition date:	2016-09-12
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

78Z

78Z
Name:	2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C14 H11 F5 N6
SMILES:	Cc1cc(n2c(n1)nc(C(C)(F)F)n2)Nc3ccc(C(F)(F)F)nc3
InChi:	InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3
Definition date:	2016-09-13
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

53X

53X
Name:	3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
Formula:	C15 H15 N3 O2
SMILES:	O=C(O)c1cc(nn1C)c3c2ccccc2n(c3)CC
InChi:	InChI=1S/C15H15N3O2/c1-3-18-9-11(10-6-4-5-7-13(10)18)12-8-14(15(19)20)17(2)16-12/h4-9H,3H2,1-2H3,(H,19,20)
Definition date:	2015-07-22
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

5DT

5DT
Name:	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide
Formula:	C21 H19 F3 N2 O2 S2
SMILES:	Fc1c(c(c(c(c1NCc2ccccc2)S(=O)(=O)N)F)F)SCCc3ccccc3
InChi:	InChI=1S/C21H19F3N2O2S2/c22-16-17(23)21(30(25,27)28)19(26-13-15-9-5-2-6-10-15)18(24)20(16)29-12-11-14-7-3-1-4-8-14/h1-10,26H,11-13H2,(H2,25,27,28)
Definition date:	2015-09-11
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide

5DU

5DU
Name:	2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
Formula:	C17 H17 F3 N2 O3 S2
SMILES:	Fc1c(c(c(F)c(c1NC2CCc3c2cccc3)S(=O)(=O)N)F)SCCO
InChi:	InChI=1S/C17H17F3N2O3S2/c18-12-13(19)17(27(21,24)25)15(14(20)16(12)26-8-7-23)22-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,22-23H,5-8H2,(H2,21,24,25)/t11-/m0/s1
Definition date:	2015-09-11
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide

6RT

6RT
Name:	2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
Formula:	C17 H16 N6
SMILES:	C1CN1c2nc(nc(n2)c3cccn3c4ccccc4)N5CC5
InChi:	InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2
Definition date:	2016-06-08
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine

6RU

6RU
Name:	~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine
Formula:	C17 H20 N6
SMILES:	CN(C)c1nc(nc(n1)c2cccn2c3ccccc3)N(C)C
InChi:	InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3
Definition date:	2016-06-08
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	~{N}2,~{N}2,~{N}4,~{N}4-tetramethyl-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine-2,4-diamine

6W6

6W6
Name:	3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid
Formula:	C9 H5 Cl2 N O2 S
SMILES:	OC(=O)c1sccc1n2c(Cl)ccc2Cl
InChi:	InChI=1S/C9H5Cl2NO2S/c10-6-1-2-7(11)12(6)5-3-4-15-8(5)9(13)14/h1-4H,(H,13,14)
Definition date:	2016-07-08
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[2,5-bis(chloranyl)pyrrol-1-yl]thiophene-2-carboxylic acid

6XI

6XI
Name:	3-pyrrol-1-ylthiophene-2-carboxylic acid
Formula:	C9 H7 N O2 S
SMILES:	OC(=O)c1sccc1n2cccc2
InChi:	InChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12)
Definition date:	2016-07-08
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-pyrrol-1-ylthiophene-2-carboxylic acid

65S

65S
Name:	3-fluoro-2-oxopropanoic acid
Formula:	C3 H3 F O3
SMILES:	OC(=O)C(CF)=O
InChi:	InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
Definition date:	2016-02-01
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-fluoro-2-oxopropanoic acid

5EF

5EF
Name:	3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Formula:	C17 H17 F3 N2 O5 S2
SMILES:	OCCS(=O)(c1c(c(c(S(=O)(=O)N)c(F)c1NC2CCc3c2cccc3)F)F)=O
InChi:	InChI=1S/C17H17F3N2O5S2/c18-12-13(19)17(28(24,25)8-7-23)15(14(20)16(12)29(21,26)27)22-11-6-5-9-3-1-2-4-10(9)11/h1-4,11,22-23H,5-8H2,(H2,21,26,27)/t11-/m0/s1
Definition date:	2015-09-16
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

5EQ

5EQ
Name:	(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid
Formula:	C12 H9 N O4
SMILES:	c1cc2nccc2cc1C([C@H]=C(C(=O)O)O)=O
InChi:	InChI=1S/C12H9NO4/c14-10(6-11(15)12(16)17)8-1-2-9-7(5-8)3-4-13-9/h1-6,13,15H,(H,16,17)/b11-6-
Definition date:	2015-09-16
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	(2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid

5ER

5ER
Name:	(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
Formula:	C12 H9 N O4
SMILES:	c2c(c1c(cccc1)n2)C([C@H]=C(C(O)=O)O)=O
InChi:	InChI=1S/C12H9NO4/c14-10(5-11(15)12(16)17)8-6-13-9-4-2-1-3-7(8)9/h1-6,13,15H,(H,16,17)/b11-5-
Definition date:	2015-09-16
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	(2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid

5G1

5G1
Name:	2-chlorobenzohydrazide
Formula:	C7 H7 Cl N2 O
SMILES:	c1(ccccc1Cl)C(=O)NN
InChi:	InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
Definition date:	2015-09-22
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	2-chlorobenzohydrazide

5GC

5GC
Name:	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine
Formula:	C7 H13 N3 O2 S2
SMILES:	c1(c(c(SC)nn1)S(=O)(=O)C(C)C)N
InChi:	InChI=1S/C7H13N3O2S2/c1-4(2)14(11,12)5-6(8)9-10-7(5)13-3/h4H,1-3H3,(H3,8,9,10)
Definition date:	2015-09-23
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine

5GJ

5GJ
Name:	[(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone
Formula:	C15 H19 N O2
SMILES:	c1ccccc1C2(CC2)C(=O)N3CCCC(C3)O
InChi:	InChI=1S/C15H19NO2/c17-13-7-4-10-16(11-13)14(18)15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2/t13-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	[(3R)-3-hydroxypiperidin-1-yl](1-phenylcyclopropyl)methanone

5GL

5GL
Name:	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one
Formula:	C13 H20 N2 O S
SMILES:	CCCN1C(=O)N=C(SC(C)C)C2=C1CCC2
InChi:	InChI=1S/C13H20N2OS/c1-4-8-15-11-7-5-6-10(11)12(14-13(15)16)17-9(2)3/h9H,4-8H2,1-3H3
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

5GQ

5GQ
Name:	7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol
Formula:	C9 H12 N2 O
SMILES:	CC1=CN2C[CH](O)CN=C2C=C1
InChi:	InChI=1S/C9H12N2O/c1-7-2-3-9-10-4-8(12)6-11(9)5-7/h2-3,5,8,12H,4,6H2,1H3/t8-/m0/s1
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol

5GY

5GY
Name:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
Formula:	C14 H22 F N4 O8 P2 S
SMILES:	Nc1c(cnc(C)n1)C[n+]2c(c(sc2C(O)CF)CCOP(=O)(O)OP(O)(=O)O)C
InChi:	InChI=1S/C14H21FN4O8P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)5-15)19(8)7-10-6-17-9(2)18-13(10)16/h6,11,20H,3-5,7H2,1-2H3,(H4-,16,17,18,21,22,23,24,25)/p+1/t11-/m1/s1
Definition date:	2015-09-24
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

5HJ

5HJ
Name:	(2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
Formula:	C13 H15 N O2 S
SMILES:	c3(C1N(C(=O)CS1)C2CC2)ccc(cc3)OC
InChi:	InChI=1S/C13H15NO2S/c1-16-11-6-2-9(3-7-11)13-14(10-4-5-10)12(15)8-17-13/h2-3,6-7,10,13H,4-5,8H2,1H3/t13-/m1/s1
Definition date:	2015-09-25
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	(2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

5HL

5HL
Name:	3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one
Formula:	C15 H18 N2 O
SMILES:	c3cc2C=C(CNC1CC1)C(Nc2c(CC)c3)=O
InChi:	InChI=1S/C15H18N2O/c1-2-10-4-3-5-11-8-12(9-16-13-6-7-13)15(18)17-14(10)11/h3-5,8,13,16H,2,6-7,9H2,1H3,(H,17,18)
Definition date:	2015-09-25
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one

5HO

5HO
Name:	N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
Formula:	C11 H12 Cl N3 O2
SMILES:	c1(ccc(nc1)NC(C(N2CCCC2)=O)=O)Cl
InChi:	InChI=1S/C11H12ClN3O2/c12-8-3-4-9(13-7-8)14-10(16)11(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14,16)
Definition date:	2015-09-25
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide

5HQ

5HQ
Name:	1-[6-(furan-2-yl)pyridin-3-yl]methanamine
Formula:	C10 H10 N2 O
SMILES:	c2(c1occc1)ncc(CN)cc2
InChi:	InChI=1S/C10H10N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H,6,11H2
Definition date:	2015-09-25
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	1-[6-(furan-2-yl)pyridin-3-yl]methanamine

5HS

5HS
Name:	3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine
Formula:	C11 H12 N2 O
SMILES:	c2ncc(CCc1c(con1)C)cc2
InChi:	InChI=1S/C11H12N2O/c1-9-8-14-13-11(9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,4-5H2,1H3
Definition date:	2015-09-28
Last modified:	2016-09-23
Release date:	2016-09-28
Identifier:	3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine

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