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1RY

1RY
Name:	[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C8 H13 F N3 O12 P3 S
SMILES:	NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
InChi:	InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
Definition date:	2013-05-14
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

1S0

1S0
Name:	4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one
Formula:	C9 H16 N3 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:	InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
Definition date:	2013-05-14
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one

20Q

20Q
Name:	(3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one
Formula:	C22 H22 Cl2 N2 O2
SMILES:	O=C(N4CCCC(C2(c1ccc(Cl)cc1NC2=O)Cc3cccc(Cl)c3)C4)C
InChi:	InChI=1S/C22H22Cl2N2O2/c1-14(27)26-9-3-5-16(13-26)22(12-15-4-2-6-17(23)10-15)19-8-7-18(24)11-20(19)25-21(22)28/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,25,28)/t16-,22-/m0/s1
Definition date:	2013-08-13
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	(3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one

20U

20U
Name:	(2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Formula:	C30 H29 Cl2 F N4 O3
SMILES:	O=C(N)c1ccc(cc1)NC(=O)C5NC(C2(c3c(NC2=O)cc(Cl)cc3)C5c4cccc(Cl)c4F)CC(C)(C)C
InChi:	InChI=1S/C30H29Cl2FN4O3/c1-29(2,3)14-22-30(19-12-9-16(31)13-21(19)36-28(30)40)23(18-5-4-6-20(32)24(18)33)25(37-22)27(39)35-17-10-7-15(8-11-17)26(34)38/h4-13,22-23,25,37H,14H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t22-,23-,25+,30+/m0/s1
Definition date:	2013-08-13
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	(2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide

36U

36U
Name:	(5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one
Formula:	C18 H13 Cl3 O2 S
SMILES:	Clc3ccccc3SC2=C(O)CC(c1c(Cl)cccc1Cl)CC2=O
InChi:	InChI=1S/C18H13Cl3O2S/c19-11-4-1-2-7-16(11)24-18-14(22)8-10(9-15(18)23)17-12(20)5-3-6-13(17)21/h1-7,10,22H,8-9H2/t10-/m0/s1
Definition date:	2014-06-26
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	(5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one

36V

36V
Name:	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione
Formula:	C18 H15 N O4 S
SMILES:	[O-][N+](=O)c3c(SC2C(=O)CC(c1ccccc1)CC2=O)cccc3
InChi:	InChI=1S/C18H15NO4S/c20-15-10-13(12-6-2-1-3-7-12)11-16(21)18(15)24-17-9-5-4-8-14(17)19(22)23/h1-9,13,18H,10-11H2/t13-,18-
Definition date:	2014-06-26
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione

37H

37H
Name:	(5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine
Formula:	C17 H27 N9 O5
SMILES:	O=C(O)C(N)CCC(CNC(=[N@H])N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N9O5/c18-8(16(29)30)2-1-7(4-22-17(20)21)3-9-11(27)12(28)15(31-9)26-6-25-10-13(19)23-5-24-14(10)26/h5-9,11-12,15,27-28H,1-4,18H2,(H,29,30)(H2,19,23,24)(H4,20,21,22)/t7-,8-,9+,11+,12+,15+/m0/s1
Definition date:	2014-06-30
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	(5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine

29G

29G
Name:	pyrimido[4,5-d]pyrimidine-2,4-diamine
Formula:	C6 H6 N6
SMILES:	n1cc2c(nc1)nc(nc2N)N
InChi:	InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)
Definition date:	2013-09-11
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	pyrimido[4,5-d]pyrimidine-2,4-diamine

29H

29H
Name:	2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one
Formula:	C6 H5 N5 O
SMILES:	O=C1c2cncnc2N=C(N)N1
InChi:	InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)
Definition date:	2013-09-11
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one

FEH

FEH
Name:	(1R)-1-phenylethane-1,2-diol
Formula:	C8 H10 O2
SMILES:	OC(c1ccccc1)CO
InChi:	InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1
Definition date:	2013-11-27
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	(1R)-1-phenylethane-1,2-diol

CQD

CQD
Name:	6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione
Formula:	C15 H16 Cl N3 O3
SMILES:	ClC=3C(=O)c1cccnc1C(=O)C=3NCCN2CCOCC2
InChi:	InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
Definition date:	2012-08-28
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione

2F2

2F2
Name:	dimethyl ether
Formula:	C2 H6 O
SMILES:	methoxymethane
InChi:	InChI=1S/C2H6O/c1-3-2/h1-2H3
Definition date:	2013-10-04
Last modified:	2014-07-11
Release date:	2014-07-16
Identifier:	dimethyl ether

A6K

A6K
Name:	(3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
Formula:	C21 H24 Cl2 N2 O2
SMILES:	O=C(N2CC(c1ccc(Cl)cc1)C(CO)C2)CC(N)Cc3ccc(Cl)cc3
InChi:	InChI=1S/C21H24Cl2N2O2/c22-17-5-1-14(2-6-17)9-19(24)10-21(27)25-11-16(13-26)20(12-25)15-3-7-18(23)8-4-15/h1-8,16,19-20,26H,9-13,24H2/t16-,19-,20-/m1/s1
Definition date:	2013-11-25
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	(3R)-3-amino-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

7AH

7AH
Name:	2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide
Formula:	C21 H22 F N3 O
SMILES:	Fc1ccc(cc1)CC(=O)Nc2ccc3ncc(c3c2)C4CCNCC4
InChi:	InChI=1S/C21H22FN3O/c22-16-3-1-14(2-4-16)11-21(26)25-17-5-6-20-18(12-17)19(13-24-20)15-7-9-23-10-8-15/h1-6,12-13,15,23-24H,7-11H2,(H,25,26)
Definition date:	2013-11-25
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	2-(4-fluorophenyl)-N-[3-(piperidin-4-yl)-1H-indol-5-yl]acetamide

5C3

5C3
Name:	4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide
Formula:	C14 H20 N2 O3 S
SMILES:	O=S(=O)(c1ccccc1)NC(=O)C2CCC(CN)CC2
InChi:	InChI=1S/C14H20N2O3S/c15-10-11-6-8-12(9-7-11)14(17)16-20(18,19)13-4-2-1-3-5-13/h1-5,11-12H,6-10,15H2,(H,16,17)/t11-,12-
Definition date:	2013-06-25
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	trans-4-(aminomethyl)-N-(phenylsulfonyl)cyclohexanecarboxamide

BV5

BV5
Name:	3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE
Formula:	C15 H19 F3 N2 O4 S
SMILES:	FC(F)(F)Oc1ccccc1S(=O)(=O)NC(=O)CCC2CCNCC2
InChi:	InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
Definition date:	2013-06-25
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	3-(piperidin-4-yl)-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}propanamide

2M7

2M7
Name:	(2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol
Formula:	C13 H15 N O2
SMILES:	C(#Cc1ccccc1)C2NC(C)C(O)C2O
InChi:	InChI=1S/C13H15NO2/c1-9-12(15)13(16)11(14-9)8-7-10-5-3-2-4-6-10/h2-6,9,11-16H,1H3/t9-,11-,12+,13-/m0/s1
Definition date:	2014-04-17
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	(2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol

2OX

2OX
Name:	(2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol
Formula:	C13 H16 N4 O2
SMILES:	n2nn(c1ccccc1)cc2C3NC(C)C(O)C3O
InChi:	InChI=1S/C13H16N4O2/c1-8-12(18)13(19)11(14-8)10-7-17(16-15-10)9-5-3-2-4-6-9/h2-8,11-14,18-19H,1H3/t8-,11-,12+,13-/m0/s1
Definition date:	2014-04-24
Last modified:	2014-07-10
Release date:	2014-07-08
Identifier:	(2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol

W2D

W2D
Name:	2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
Formula:	C17 H14 N6 O4 S
SMILES:	O=S(=O)(N)c1cc2nc(n3nc(nc3c2cc1)N)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C17H14N6O4S/c18-17-21-16-11-3-2-10(28(19,24)25)7-12(11)20-15(23(16)22-17)6-9-1-4-13-14(5-9)27-8-26-13/h1-5,7H,6,8H2,(H2,18,22)(H2,19,24,25)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide

T62

T62
Name:	5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
Formula:	C16 H13 N5 O2
SMILES:	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4
InChi:	InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-[(2-amino[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol

URU

URU
Name:	((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(2- ((((2R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphate
Formula:	C20 H26 N5 O14 P
SMILES:	O=P(O)(O)OCC2OC(N1C=CC(=O)NC1=O)C(O)C2CC(=O)NCC4OC(N3C(=O)NC(=O)C=C3)C(O)C4O
InChi:	InChI=1S/C20H26N5O14P/c26-11-1-3-24(19(32)22-11)17-14(29)8(10(39-17)7-37-40(34,35)36)5-13(28)21-6-9-15(30)16(31)18(38-9)25-4-2-12(27)23-20(25)33/h1-4,8-10,14-18,29-31H,5-7H2,(H,21,28)(H,22,26,32)(H,23,27,33)(H2,34,35,36)/t8-,9-,10-,14-,15-,16-,17-,18-/m1/s1
Definition date:	2014-01-07
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	{(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-[2-({[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino)-2-oxoethyl]-4-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate (non-preferred name)

TV2

TV2
Name:	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C17 H13 N5 O2
SMILES:	O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45)N
InChi:	InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21)
Definition date:	2014-04-03
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine

2YA

2YA
Name:	4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
Formula:	C19 H15 Cl N4 O2
SMILES:	[O-][n+]4c1c(cccc1)c(OC(c3nnn(c2ccc(Cl)cc2)c3)C)cc4
InChi:	InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1
Definition date:	2014-04-11
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	4-{(1R)-1-[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethoxy}quinoline 1-oxide

2YM

2YM
Name:	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C16 H21 N7 O
SMILES:	O=C4N=C(N)Nc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChi:	InChI=1S/C16H21N7O/c17-15-19-11-9-13-12(8-10(11)14(24)22-15)20-16(21-13)18-4-7-23-5-2-1-3-6-23/h8-9H,1-7H2,(H2,18,20,21)(H3,17,19,22,24)
Definition date:	2014-04-17
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

2YO

2YO
Name:	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C16 H20 N6 O
SMILES:	O=C4N=CNc2c4cc3nc(NCCN1CCCCC1)nc3c2
InChi:	InChI=1S/C16H20N6O/c23-15-11-8-13-14(9-12(11)18-10-19-15)21-16(20-13)17-4-7-22-5-2-1-3-6-22/h8-10H,1-7H2,(H2,17,20,21)(H,18,19,23)
Definition date:	2014-04-24
Last modified:	2014-07-03
Release date:	2014-07-08
Identifier:	2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

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