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24L

24L
Name:	4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid
Formula:	C32 H29 N O9
SMILES:	O=C(O)CCCc2cc1c(cccc1)c(c2)CNC(=O)c4c3OC5=CC(O)=C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C
InChi:	InChI=1S/C32H29NO9/c1-16(34)26-21(35)14-24-32(2,30(26)39)28-22(36)13-23(41-3)27(29(28)42-24)31(40)33-15-19-12-17(7-6-10-25(37)38)11-18-8-4-5-9-20(18)19/h4-5,8-9,11-14,35-36H,6-7,10,15H2,1-3H3,(H,33,40)(H,37,38)/t32-/m1/s1
Definition date:	2012-01-17
Last modified:	2012-01-27
Identifier:	4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid

NIN

NIN
Name:	DINITROPHENYLENE
Formula:	C6 H4 N2 O4
SMILES:	O=[N+]([O-])c1cccc([N+]([O-])=O)c1
InChi:	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
Definition date:	2001-01-26
Last modified:	2012-01-25
Identifier:	1,3-dinitrobenzene

TAT

TAT
Name:	ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE
Formula:	C10 H16 N5 O12 P3 S
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30-/m1/s1
Definition date:	2004-11-06
Last modified:	2012-01-25
Identifier:	5'-O-[(R)-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]adenosine

TOE

TOE
Name:	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL
Formula:	C7 H16 O4
SMILES:	OCCOCCOCCOC
InChi:	InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
Definition date:	1999-07-08
Last modified:	2012-01-25
Identifier:	2-[2-(2-methoxyethoxy)ethoxy]ethanol

ILT

ILT
Name:	MONOIMIDAZOLE LEXITROPSIN
Formula:	C17 H25 N11 O3
SMILES:	O=C(c1nc(NC(=O)CNC(=[N@H])N)cn1C)Nc2cc(C(=O)NCCC(=[N@H])N)n(c2)C
InChi:	InChI=1S/C17H25N11O3/c1-27-7-9(5-10(27)15(30)22-4-3-11(18)19)24-16(31)14-26-12(8-28(14)2)25-13(29)6-23-17(20)21/h5,7-8H,3-4,6H2,1-2H3,(H3,18,19)(H,22,30)(H,24,31)(H,25,29)(H4,20,21,23)
Definition date:	1999-07-08
Last modified:	2012-01-25
Identifier:	N-(5-{[(3E)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-imidazole-2-carboxamide

0BY

0BY
Name:	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Formula:	C17 H13 Cl N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3Cl
InChi:	InChI=1S/C17H13ClN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
Definition date:	2011-11-29
Last modified:	2012-01-23
Identifier:	4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid

0FX

0FX
Name:	dTDP-4-amino-4,6-dideoxyglucose
Formula:	C16 H27 N3 O14 P2
SMILES:	O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C
InChi:	InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1
Definition date:	2012-01-04
Last modified:	2012-01-20
Identifier:	(2R,3R,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyltetrahydro-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)

0GY

0GY
Name:	(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Formula:	C7 H6 O7
SMILES:	O=C(O)C(O)=CC(C(=O)O)=C/C(=O)O
InChi:	InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1-
Definition date:	2012-01-13
Last modified:	2012-01-20
Identifier:	(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid

0GZ

0GZ
Name:	2-oxo-2H-pyran-4,6-dicarboxylic acid
Formula:	C7 H4 O6
SMILES:	O=C1OC(=CC(C(=O)O)=C1)C(=O)O
InChi:	InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
Definition date:	2012-01-13
Last modified:	2012-01-20
Identifier:	2-oxo-2H-pyran-4,6-dicarboxylic acid

0H3

0H3
Name:	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one
Formula:	C23 H31 N5 O4
SMILES:	O=C2N=C(c1cnc(cc1N2CCOCCC)c3ccc(OC)nc3)NCCOC(C)C
InChi:	InChI=1S/C23H31N5O4/c1-5-10-31-12-9-28-20-13-19(17-6-7-21(30-4)26-14-17)25-15-18(20)22(27-23(28)29)24-8-11-32-16(2)3/h6-7,13-16H,5,8-12H2,1-4H3,(H,24,27,29)
Definition date:	2012-01-17
Last modified:	2012-01-20
Identifier:	7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one

MIV

MIV
Name:	MYCINAMICIN IV
Formula:	C37 H61 N O11
SMILES:	CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](OC)[CH]3OC
InChi:	InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1
Definition date:	2011-01-05
Last modified:	2012-01-20
Identifier:	(3E,5S,6S,7S,9R,11E,13E,15R,16R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

NXZ

NXZ
Name:	1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
Formula:	C19 H23 N5 O
SMILES:	O=C4N(C3CN(c2ncnc(c1ccccc1)c2)CC3N)CCCC4
InChi:	InChI=1S/C19H23N5O/c20-15-11-23(12-17(15)24-9-5-4-8-19(24)25)18-10-16(21-13-22-18)14-6-2-1-3-7-14/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,20H2/t15-,17-/m0/s1
Definition date:	2011-01-17
Last modified:	2012-01-20
Identifier:	1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one

TOK

TOK
Name:	(3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol
Formula:	C26 H32 N2 O
SMILES:	n2c1ccccc1n(c2)C4=CCC5C6CC=C3CC(O)CCC3(C)C6CCC45C
InChi:	InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1
Definition date:	2011-08-08
Last modified:	2012-01-20
Identifier:	(3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol

09H

09H
Name:	2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
Formula:	C22 H22 N4 O2 S
SMILES:	O=C(c1nc(sc1)c3cc2c(OCC2)cc3)Nc5ccccc5N4CCNCC4
InChi:	InChI=1S/C22H22N4O2S/c27-21(24-17-3-1-2-4-19(17)26-10-8-23-9-11-26)18-14-29-22(25-18)16-5-6-20-15(13-16)7-12-28-20/h1-6,13-14,23H,7-12H2,(H,24,27)
Definition date:	2011-11-01
Last modified:	2012-01-20
Identifier:	2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

0BX

0BX
Name:	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid
Formula:	C17 H14 N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3
InChi:	InChI=1S/C17H14N4O2/c22-16(23)12-6-8-14(9-7-12)20-17-18-11-10-15(21-17)19-13-4-2-1-3-5-13/h1-11H,(H,22,23)(H2,18,19,20,21)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid

0BZ

0BZ
Name:	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Formula:	C17 H13 F N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3F
InChi:	InChI=1S/C17H13FN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid

0C0

0C0
Name:	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
Formula:	C23 H18 N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc4ccccc4c3ccccc3
InChi:	InChI=1S/C23H18N4O2/c28-22(29)17-10-12-18(13-11-17)25-23-24-15-14-21(27-23)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,28,29)(H2,24,25,26,27)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid

0C1

0C1
Name:	6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide
Formula:	C24 H19 F2 N3 O5 S
SMILES:	O=S(=O)(NC(=O)c1n(c4c(c1C2=CC=CNC2=O)c3OCCc3cc4)Cc5cc(F)ccc5F)C
InChi:	InChI=1S/C24H19F2N3O5S/c1-35(32,33)28-24(31)21-19(16-3-2-9-27-23(16)30)20-18(7-4-13-8-10-34-22(13)20)29(21)12-14-11-15(25)5-6-17(14)26/h2-7,9,11H,8,10,12H2,1H3,(H,27,30)(H,28,31)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide

0C2

0C2
Name:	(3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide
Formula:	C25 H21 F2 N3 O5 S
SMILES:	O=S(=O)(NC(=O)c1n(c4c(c1C2=CC=CNC2=O)c3OCC(c3cc4)C)Cc5cc(F)ccc5F)C
InChi:	InChI=1S/C25H21F2N3O5S/c1-13-12-35-23-16(13)6-8-19-21(23)20(17-4-3-9-28-24(17)31)22(25(32)29-36(2,33)34)30(19)11-14-10-15(26)5-7-18(14)27/h3-10,13H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t13-/m1/s1
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	(3S)-6-(2,5-difluorobenzyl)-3-methyl-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide

0C3

0C3
Name:	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
Formula:	C18 H13 F3 N4 O2
SMILES:	FC(F)(F)c1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3
InChi:	InChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid

0C4

0C4
Name:	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Formula:	C17 H13 Br N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3Br
InChi:	InChI=1S/C17H13BrN4O2/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-({4-[(2-bromophenyl)amino]pyrimidin-2-yl}amino)benzoic acid

0C5

0C5
Name:	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid
Formula:	C18 H13 N5 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc3ccccc3C#N
InChi:	InChI=1S/C18H13N5O2/c19-11-13-3-1-2-4-15(13)22-16-9-10-20-18(23-16)21-14-7-5-12(6-8-14)17(24)25/h1-10H,(H,24,25)(H2,20,21,22,23)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid

0C6

0C6
Name:	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid
Formula:	C17 H12 Cl F N4 O2
SMILES:	O=C(O)c1ccc(cc1)Nc2nc(c(F)cn2)Nc3ccccc3Cl
InChi:	InChI=1S/C17H12ClFN4O2/c18-12-3-1-2-4-14(12)22-15-13(19)9-20-17(23-15)21-11-7-5-10(6-8-11)16(24)25/h1-9H,(H,24,25)(H2,20,21,22,23)
Definition date:	2011-11-29
Last modified:	2012-01-20
Identifier:	4-({4-[(2-chlorophenyl)amino]-5-fluoropyrimidin-2-yl}amino)benzoic acid

0C7

0C7
Name:	N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine
Formula:	C17 H13 Cl N8
SMILES:	Clc1ccccc1Nc2nc(ncc2)Nc4ccc(c3nnnn3)cc4
InChi:	InChI=1S/C17H13ClN8/c18-13-3-1-2-4-14(13)21-15-9-10-19-17(22-15)20-12-7-5-11(6-8-12)16-23-25-26-24-16/h1-10H,(H2,19,20,21,22)(H,23,24,25,26)
Definition date:	2011-12-02
Last modified:	2012-01-20
Identifier:	N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine

0C8

0C8
Name:	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
Formula:	C18 H13 F3 N4 O3
SMILES:	FC(F)(F)Oc1ccccc1Nc2nc(ncc2)Nc3ccc(C(=O)O)cc3
InChi:	InChI=1S/C18H13F3N4O3/c19-18(20,21)28-14-4-2-1-3-13(14)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
Definition date:	2011-12-02
Last modified:	2012-01-20
Identifier:	4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid

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