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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

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

ESY

ESY
Name:	benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
Formula:	C32 H43 N3 O8
SMILES:	O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C
InChi:	InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1
Definition date:	2006-02-06
Last modified:	2011-06-04
Identifier:	benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate

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

ET2

ET2
Name:	6-fluoro-1H-benzimidazol-2-amine
Formula:	C7 H6 F N3
SMILES:	Nc1[nH]c2cc(F)ccc2n1
InChi:	InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
Definition date:	2009-12-04
Last modified:	2011-06-04
Identifier:	6-fluoro-1H-benzimidazol-2-amine

ETG

ETG
Name:	(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:	C29 H41 N3 O5 S
SMILES:	O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOCCOCCNC(=O)C35CC4CC(CC(C3)C4)C5
InChi:	InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29-
Definition date:	2010-10-12
Last modified:	2011-06-04
Identifier:	(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

ETP

ETP
Name:	3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
Formula:	C16 H14 B N O6 S3
SMILES:	O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:	InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
Definition date:	2000-12-07
Last modified:	2011-06-04
Identifier:	[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

EV0

EV0
Name:	2-amino-6-propylpyrimidin-4(3H)-one
Formula:	C7 H11 N3 O
SMILES:	O=C1C=C(N=C(N)N1)CCC
InChi:	InChI=1S/C7H11N3O/c1-2-3-5-4-6(11)10-7(8)9-5/h4H,2-3H2,1H3,(H3,8,9,10,11)
Definition date:	2009-06-18
Last modified:	2011-06-04
Identifier:	2-amino-6-propylpyrimidin-4(3H)-one

EV2

EV2
Name:	3-pyrrolidin-1-ylquinoxalin-2-amine
Formula:	C12 H14 N4
SMILES:	n1c3ccccc3nc(c1N2CCCC2)N
InChi:	InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)
Definition date:	2009-06-18
Last modified:	2011-06-04
Identifier:	3-pyrrolidin-1-ylquinoxalin-2-amine

EV4

EV4
Name:	4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide
Formula:	C18 H25 Cl N4 O
SMILES:	Clc1cc2nc(N)n(c2cc1)CCCC(=O)N(C3CCCCC3)C
InChi:	InChI=1S/C18H25ClN4O/c1-22(14-6-3-2-4-7-14)17(24)8-5-11-23-16-10-9-13(19)12-15(16)21-18(23)20/h9-10,12,14H,2-8,11H2,1H3,(H2,20,21)
Definition date:	2010-05-04
Last modified:	2011-06-04
Identifier:	4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide

EVA

EVA
Name:	(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid
Formula:	C6 H9 N O6
SMILES:	O=C(O)C1NC(=O)C(O)C(O)C1O
InChi:	InChI=1S/C6H9NO6/c8-2-1(6(12)13)7-5(11)4(10)3(2)9/h1-4,8-10H,(H,7,11)(H,12,13)/t1-,2+,3-,4+/m0/s1
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid

EWA

EWA
Name:	[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:	C11 H16 B N O5
SMILES:	O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:	InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid

EWB

EWB
Name:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:	C16 H19 B N O4
SMILES:	O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-07-07
Last modified:	2011-06-04
Identifier:	[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)

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