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S0G

S0G
Name:	6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H16 N4 O2
SMILES:	O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2
InChi:	InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)
Definition date:	2013-11-06
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione

S0I

S0I
Name:	4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C15 H14 N2 O
SMILES:	O=C2Nc1c(cccc1)N(C2)Cc3ccccc3
InChi:	InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18)
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	4-benzyl-3,4-dihydroquinoxalin-2(1H)-one

S0J

S0J
Name:	4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine
Formula:	C14 H19 N3 O S
SMILES:	n3c(c1c(n(c(c1)C)CC2OCCC2)C)csc3N
InChi:	InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)/t11-/m1/s1
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine

S0K

S0K
Name:	N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
Formula:	C15 H16 N2 O2 S
SMILES:	O=C(Nc1ccccc1N2CCOCC2)c3ccsc3
InChi:	InChI=1S/C15H16N2O2S/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17/h1-5,10-11H,6-9H2,(H,16,18)
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide

SVN

SVN
Name:	thieno[2,3-b]pyrazin-7-amine
Formula:	C6 H5 N3 S
SMILES:	n1c2scc(c2ncc1)N
InChi:	InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2
Definition date:	2014-01-08
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	thieno[2,3-b]pyrazin-7-amine

VT4

VT4
Name:	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
Formula:	C19 H25 N O2
SMILES:	O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC
InChi:	InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3
Definition date:	2014-03-22
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one

SXS

SXS
Name:	6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Formula:	C7 H6 N2 O3 S
SMILES:	O=C2c1ccc(cc1S(=O)(=O)N2)N
InChi:	InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
Definition date:	2014-02-10
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide

1VL

1VL
Name:	(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C21 H23 N3 O4
SMILES:	O=C2N(c1ccccc1C2O)CN3CCN(CC3)Cc4ccc5OCOc5c4
InChi:	InChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1
Definition date:	2013-06-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one

6DJ

6DJ
Name:	(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol
Formula:	C11 H20 N2 O3 S
SMILES:	N(=C1SCC2N1CC(O)C(O)C2O)CCCC
InChi:	InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/b12-11-/t7-,8+,9+,10-/m1/s1
Definition date:	2013-07-26
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol

3A9

3A9
Name:	2,3-dihydro-1-benzofuran-5-carboxylic acid
Formula:	C9 H8 O3
SMILES:	O=C(O)c2cc1c(OCC1)cc2
InChi:	InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)
Definition date:	2014-03-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	2,3-dihydro-1-benzofuran-5-carboxylic acid

52N

52N
Name:	1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate
Formula:	C25 H49 O19 P3
SMILES:	O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCC
InChi:	InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20+,21-,22+,23-,24-,25+/m1/s1
Definition date:	2014-01-16
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	(2R)-3-{[(S)-hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate

24W

24W
Name:	1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C9 H12 N2
SMILES:	c12cccc(c1CCNC2)N
InChi:	InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2
Definition date:	2013-09-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	1,2,3,4-tetrahydroisoquinolin-5-amine

2C9

2C9
Name:	3-methylbenzene-1,2-diamine
Formula:	C7 H10 N2
SMILES:	Nc1c(cccc1N)C
InChi:	InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
Definition date:	2013-09-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	3-methylbenzene-1,2-diamine

2CK

2CK
Name:	1,2,3,4-tetrahydroisoquinoline
Formula:	C9 H11 N
SMILES:	c1ccc2c(c1)CNCC2
InChi:	InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
Definition date:	2013-09-20
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	1,2,3,4-tetrahydroisoquinoline

2GD

2GD
Name:	6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine
Formula:	C11 H10 Cl2 N4
SMILES:	Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2
InChi:	InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
Definition date:	2013-10-12
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine

2GE

2GE
Name:	N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
Formula:	C13 H12 Cl2 N4
SMILES:	Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3
InChi:	InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
Definition date:	2013-10-15
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

2H1

2H1
Name:	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C25 H24 N6 O
SMILES:	n1c(c2c(nc1)n(nc2c5cc4ccc(OCc3ccccc3)nc4c(c5)C)C(C)C)N
InChi:	InChI=1S/C25H24N6O/c1-15(2)31-25-21(24(26)27-14-28-25)23(30-31)19-11-16(3)22-18(12-19)9-10-20(29-22)32-13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,28)
Definition date:	2013-10-18
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

2HD

2HD
Name:	(2R)-2,3-dibutoxypropyl (R)-octylphosphinate
Formula:	C19 H41 O4 P
SMILES:	O=P(OCC(OCCCC)COCCCC)CCCCCCCC
InChi:	InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1
Definition date:	2013-10-21
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	(2R)-2,3-dibutoxypropyl (R)-octylphosphinate

2L1

2L1
Name:	2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Formula:	C14 H17 N3
SMILES:	n1c(c(nc1)CN3Cc2c(cccc2)CC3)C
InChi:	InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16)
Definition date:	2013-11-25
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

2L2

2L2
Name:	2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C14 H18 N4
SMILES:	n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C
InChi:	InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17)
Definition date:	2013-11-25
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine

AUB

AUB
Name:	4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid
Formula:	C24 H32 N2 O4
SMILES:	O=C(O)c5ccc(OC4CCC(NC(=O)NC13CC2CC(C1)CC(C2)C3)CC4)cc5
InChi:	InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15-,16+,17-,19-,21-,24-
Definition date:	2013-11-07
Last modified:	2014-04-11
Release date:	2014-04-16
Identifier:	4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid

T46

T46
Name:	dTDP-4-keto-6-deoxyglucose
Formula:	C16 H24 N2 O15 P2
SMILES:	O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3O)C)O)O)C
InChi:	InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1
Definition date:	2014-01-08
Last modified:	2014-04-04
Release date:	2014-04-09
Identifier:	(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

W83

W83
Name:	5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C19 H18 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(OCOC)ccc2cc3
InChi:	InChI=1S/C19H18N2O6/c1-26-10-27-14-6-5-12-4-2-11(8-13(12)9-14)3-7-15-16(18(23)24)20-19(25)21-17(15)22/h2,4-6,8-9H,3,7,10H2,1H3,(H,23,24)(H2,20,21,22,25)
Definition date:	2013-03-18
Last modified:	2014-04-04
Release date:	2014-04-09
Identifier:	5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

W87

W87
Name:	5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Formula:	C21 H20 N2 O6
SMILES:	O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc3cc2cccc(C(=O)OC)c2cc3
InChi:	InChI=1S/C21H20N2O6/c1-29-20(27)15-8-4-6-13-11-12(9-10-14(13)15)5-2-3-7-16-17(19(25)26)22-21(28)23-18(16)24/h4,6,8-11H,2-3,5,7H2,1H3,(H,25,26)(H2,22,23,24,28)
Definition date:	2013-03-18
Last modified:	2014-04-04
Release date:	2014-04-09
Identifier:	5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

RMD

RMD
Name:	[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium
Formula:	C19 H24 N O2 Rh
SMILES:	O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34
InChi:	InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9
Definition date:	2013-10-18
Last modified:	2014-04-04
Release date:	2014-04-09
Identifier:	[(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium

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