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ENT

ENT
Name:	3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:	C16 H23 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:	InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1
Definition date:	2005-12-01
Last modified:	2011-06-04
Identifier:	[(3R)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

EOA

EOA
Name:	N-PHENETHYL-FORMAMIDE
Formula:	C9 H11 N O
SMILES:	O=CNCCc1ccccc1
InChi:	InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-(2-phenylethyl)formamide

EOT

EOT
Name:	[(1-[(BIS-CARBOXYMETHYL-AMINO)-METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-AMINO]-ACETIC ACID
Formula:	C20 H28 N4 O9 S
SMILES:	S=C(Nc1ccc(cc1)CC(N(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)NCCO
InChi:	InChI=1S/C20H28N4O9S/c25-6-5-21-20(34)22-14-3-1-13(2-4-14)7-15(24(11-18(30)31)12-19(32)33)8-23(9-16(26)27)10-17(28)29/h1-4,15,25H,5-12H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,21,22,34)/t15-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2,2',2'',2'''-{[(2S)-3-(4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid

EOZ

EOZ
Name:	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID
Formula:	C11 H14 N2 O10 P2
SMILES:	O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O
InChi:	InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)
Definition date:	2006-02-17
Last modified:	2011-06-04
Identifier:	3,5-bis[(phosphonoacetyl)amino]benzoic acid

EP1

EP1
Name:	3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID
Formula:	C9 H20 N2 O4 S
SMILES:	O=S(=O)(O)CCCN1CCN(CCO)CC1
InChi:	InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
Definition date:	2003-11-20
Last modified:	2011-06-04
Identifier:	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid

EPO

EPO
Name:	(2R,3R)-oxirane-2,3-dicarboxylic acid
Formula:	C4 H4 O5
SMILES:	O=C(O)C1OC1C(=O)O
InChi:	InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,3R)-oxirane-2,3-dicarboxylic acid

EPY

EPY
Name:	1-HYDROXY-2-S-GLUTATHIONYL-3-PARA-NITROPHENOXY-PROPANE
Formula:	C19 H26 N4 O10 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(COc1ccc(cc1)[N+]([O-])=O)CO
InChi:	InChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-13(8-24)9-33-12-3-1-11(2-4-12)23(31)32/h1-4,13-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
Definition date:	2000-02-10
Last modified:	2011-06-04
Identifier:	L-gamma-glutamyl-S-{(1S)-2-hydroxy-1-[(4-nitrophenoxy)methyl]ethyl}-L-cysteinylglycine

ERD

ERD
Name:	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Formula:	C15 H12 O6
SMILES:	O=C2c3c(OC(c1ccc(O)c(O)c1)C2)cc(O)cc3O
InChi:	InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
Definition date:	2006-10-27
Last modified:	2011-06-04
Identifier:	(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one

1LI

1LI
Name:	N-[(1S,2R)-3-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorobenzyl)-2-hydroxypropyl]acetamide
Formula:	C28 H38 F2 N2 O2
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)CNC3(c2cccc(c2)C(C)(C)C)CCCCC3
InChi:	InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1
Definition date:	2009-09-22
Last modified:	2011-06-04
Identifier:	N-[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide

ES0

ES0
Name:	2-amino-1H-benzimidazol-7-ol
Formula:	C7 H7 N3 O
SMILES:	Nc1[nH]c2c(O)cccc2n1
InChi:	InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	2-azanyl-3H-benzimidazol-4-ol

ES1

ES1
Name:	quinolin-4-ol
Formula:	C9 H7 N O
SMILES:	Oc1ccnc2ccccc12
InChi:	InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
Definition date:	2009-12-02
Last modified:	2011-06-04
Identifier:	quinolin-4-ol

ES2

ES2
Name:	6-chloro-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 Cl N O
SMILES:	Clc1ccc2CC(=O)Nc2c1
InChi:	InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
Definition date:	2009-12-02
Last modified:	2011-06-04
Identifier:	6-chloro-1,3-dihydroindol-2-one

ES3

ES3
Name:	4-bromo-1H-imidazole
Formula:	C3 H3 Br N2
SMILES:	Brc1c[nH]cn1
InChi:	InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
Definition date:	2009-12-02
Last modified:	2011-06-04
Identifier:	4-bromo-1H-imidazole

ES4

ES4
Name:	6-chloro-9H-purine
Formula:	C5 H3 Cl N4
SMILES:	Clc1ncnc2[nH]cnc12
InChi:	InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
Definition date:	2009-12-02
Last modified:	2011-06-04
Identifier:	6-chloro-9H-purine

ES5

ES5
Name:	quinolin-6-amine
Formula:	C9 H8 N2
SMILES:	Nc1ccc2ncccc2c1
InChi:	InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	quinolin-6-amine

ES6

ES6
Name:	2-oxo-1,2-dihydropyridine-3-carboxylic acid
Formula:	C6 H5 N O3
SMILES:	OC(=O)C1=CC=CNC1=O
InChi:	InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	2-oxo-1H-pyridine-3-carboxylic acid

ES9

ES9
Name:	5-chloro-1H-benzimidazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1ccc2[nH]cnc2c1
InChi:	InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	5-chloro-1H-benzimidazole

1MG

1MG
Name:	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3O)COP(=O)(O)O
InChi:	InChI=1S/C11H16N5O8P/c1-15-9(19)5-8(14-11(15)12)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-methylguanosine 5'-(dihydrogen phosphate)

ESG

ESG
Name:	L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
Formula:	C16 H24 N4 O8 S
SMILES:	CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:	InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
Definition date:	2010-01-18
Last modified:	2011-06-04
Identifier:	2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid

ESI

ESI
Name:	4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE
Formula:	C9 H8 I N2 S
SMILES:	Ic1cccc2sc(cc12)C(=[NH2+])N
InChi:	InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1
Definition date:	2000-01-14
Last modified:	2011-06-04
Identifier:	amino(4-iodo-1-benzothiophen-2-yl)methaniminium

ESO

ESO
Name:	O3-PHOSPHONOESTRONE
Formula:	C18 H23 O5 P
SMILES:	O=P(O)(O)Oc1cc4c(cc1)C3CCC2(C(=O)CCC2C3CC4)C
InChi:	InChI=1S/C18H23O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	17-oxoestra-1,3,5(10)-trien-3-yl dihydrogen phosphate

ESP

ESP
Name:	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE
Formula:	C8 H8 N3 S
SMILES:	n1cccc2c1sc(c2)C(=[NH2+])N
InChi:	InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
Definition date:	2000-01-14
Last modified:	2011-06-04
Identifier:	amino(thieno[2,3-b]pyridin-2-yl)methaniminium

EST

EST
Name:	ESTRADIOL
Formula:	C18 H24 O2
SMILES:	Oc1cc4c(cc1)C3CCC2(C(CCC2O)C3CC4)C
InChi:	InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol

ESX

ESX
Name:	BENZO[B]THIOPHENE-2-CARBOXAMIDINE
Formula:	C9 H9 N2 S
SMILES:	s2c1ccccc1cc2C(=[NH2+])N
InChi:	InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
Definition date:	2000-01-14
Last modified:	2011-06-04
Identifier:	amino(1-benzothiophen-2-yl)methaniminium

ET
Name:	ETHIDIUM
Formula:	C21 H20 N3
SMILES:	c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N
InChi:	InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3,8-diamino-5-ethyl-6-phenylphenanthridinium

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