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YE7

YE7
Name:	IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE
Formula:	C12 H10 N4 O
SMILES:	O=C(c1nc2c3c(ccn2c1)cccc3)NN
InChi:	InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
Definition date:	2007-03-29
Last modified:	2011-06-04
Identifier:	imidazo[2,1-a]isoquinoline-2-carbohydrazide

ZZV

ZZV
Name:	N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
Formula:	C20 H18 F N3 O4 S
SMILES:	O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C
InChi:	InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide

ZZW

ZZW
Name:	9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide
Formula:	C19 H14 F N3 O2
SMILES:	Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4
InChi:	InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
Definition date:	2010-10-04
Last modified:	2011-06-04
Identifier:	9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide

WHJ

WHJ
Name:	CARMOTEROL
Formula:	C21 H24 N2 O4
SMILES:	COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c3NC(=O)C=Cc23)cc1
InChi:	InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one

XGA

XGA
Name:	6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C14 H16 N5 O7 P
SMILES:	O=C2c3cc1ncn(c1cc3N=C(N)N2)C4OC(C(O)C4)COP(=O)(O)O
InChi:	InChI=1S/C14H16N5O7P/c15-14-17-7-2-9-8(1-6(7)13(21)18-14)16-5-19(9)12-3-10(20)11(26-12)4-25-27(22,23)24/h1-2,5,10-12,20H,3-4H2,(H2,22,23,24)(H3,15,17,18,21)/t10-,11+,12+/m0/s1
Definition date:	2006-09-26
Last modified:	2011-06-04
Identifier:	6-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

W14

W14
Name:	2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
Formula:	C11 H10 F3 N O2
SMILES:	FC(F)(F)C(=O)N2Cc1c(ccc(O)c1)CC2
InChi:	InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2
Definition date:	2010-10-05
Last modified:	2011-06-04
Identifier:	2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone

X1N

X1N
Name:	2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE
Formula:	C16 H13 N5 O2 S
SMILES:	[O-][N+](=O)C=4C=CCC(=Nc1ncc3c(n1)c2sc(nc2CC3)C)C=4
InChi:	InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2,4,7-8H,3,5-6H2,1H3/b19-11-
Definition date:	2009-12-31
Last modified:	2011-06-04
Identifier:	2-methyl-N-[(1Z)-3-nitrocyclohexa-2,4-dien-1-ylidene]-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-8-amine

X24

X24
Name:	TERT-BUTYL [(TRANS-4-{[({2-[4-(AMINOMETHYL)PHENYL]QUINOLIN-4-YL}CARBONYL)AMINO]METHYL}CYCLOHEXYL)METHYL]CARBAMATE
Formula:	C30 H38 N4 O3
SMILES:	O=C(OC(C)(C)C)NCC1CCC(CC1)CNC(=O)c2c4ccccc4nc(c2)c3ccc(cc3)CN
InChi:	InChI=1S/C30H38N4O3/c1-30(2,3)37-29(36)33-19-22-10-8-21(9-11-22)18-32-28(35)25-16-27(23-14-12-20(17-31)13-15-23)34-26-7-5-4-6-24(25)26/h4-7,12-16,21-22H,8-11,17-19,31H2,1-3H3,(H,32,35)(H,33,36)/t21-,22-
Definition date:	2010-01-11
Last modified:	2011-06-04
Identifier:	tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-yl}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate

W37

W37
Name:	N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE
Formula:	C25 H29 Br N2 O
SMILES:	Brc3ccc(c2nccc1cc(OCCCCCCN(CC=C)C)ccc12)cc3
InChi:	InChI=1S/C25H29BrN2O/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20/h3,8-15,19H,1,4-7,16-18H2,2H3
Definition date:	2002-10-03
Last modified:	2011-06-04
Identifier:	6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}-N-methyl-N-prop-2-en-1-ylhexan-1-amine

SCI

SCI
Name:	L-THIOCITRULLINE
Formula:	C6 H13 N3 O2 S
SMILES:	O=C(O)C(N)CCC/N=C(S)N
InChi:	InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(Z)-N~5~-[amino(sulfanyl)methylidene]-L-ornithine

BBQ

BBQ
Name:	CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
Formula:	C32 H44 B N4 O9
SMILES:	CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56
InChi:	InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1
Definition date:	2010-04-22
Last modified:	2011-06-04
Identifier:	cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate

BBZ

BBZ
Name:	2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C27 H29 N7
SMILES:	n2c(c1ccc(N(C)C)cc1)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6
InChi:	InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N,N-dimethyl-4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]aniline

BCQ

BCQ
Name:	N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE
Formula:	C31 H42 N4 O8 S2
SMILES:	O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4
InChi:	InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1
Definition date:	2006-02-08
Last modified:	2011-06-04
Identifier:	N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide

BDK

BDK
Name:	2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE
Formula:	C23 H30 F2 N6 O5 S
SMILES:	O=C(NCCN1CCOCC1)C(F)(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3sccc3)C(C)C
InChi:	InChI=1S/C23H30F2N6O5S/c1-14(2)18(19(33)23(24,25)22(35)27-5-6-30-7-9-36-10-8-30)29-17(32)13-31-20(16-4-3-11-37-16)28-12-15(26)21(31)34/h3-4,11-12,14,18H,5-10,13,26H2,1-2H3,(H,27,35)(H,29,32)/t18-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4S)-4-{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide

BE9

BE9
Name:	phenyl N-sulfamoylmorpholine-4-carboximidoate
Formula:	C11 H15 N3 O4 S
SMILES:	O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N
InChi:	InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11-
Definition date:	2010-03-09
Last modified:	2011-06-04
Identifier:	phenyl N-sulfamoylmorpholine-4-carboximidoate

SIG

SIG
Name:	STIGMATELLIN
Formula:	C30 H42 O5
SMILES:	O=C1c2c(OC(=C1C)CCC(C)C(C)C(C)C(C=CC=CC(=CC)C)C)c(O)c(OC)cc2OC
InChi:	InChI=1S/C30H42O5/c1-10-18(2)13-11-12-14-19(3)21(5)22(6)20(4)15-16-24-23(7)28(31)27-25(33-8)17-26(34-9)29(32)30(27)35-24/h10-14,17,19-22,32H,15-16H2,1-9H3/b13-11+,14-12+,18-10+/t19-,20+,21-,22+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	8-hydroxy-5,7-dimethoxy-3-methyl-2-[(3R,4R,5R,6S,7E,9E,11E)-3,4,5,6,11-pentamethyltrideca-7,9,11-trien-1-yl]-4H-chromen-4-one

BER

BER
Name:	BERBERINE
Formula:	C20 H18 N O4
SMILES:	O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5
InChi:	InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
Definition date:	2001-09-12
Last modified:	2011-06-04
Identifier:	9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium

BF5

BF5
Name:	(3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE
Formula:	C17 H19 F N4 O4
SMILES:	[O-]C(=O)C=1C(O)=C4C=2N(C=1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C
InChi:	InChI=1S/C17H21FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h7,9,23H,2-6,8,19H2,1H3,(H,24,25)/p-1/t9-/m0/s1
Definition date:	2010-06-08
Last modified:	2011-06-04
Identifier:	(3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate

SK2

SK2
Name:	(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
Formula:	C19 H21 N3 O6 S
SMILES:	O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3
InChi:	InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1
Definition date:	2005-12-05
Last modified:	2011-06-04
Identifier:	[(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid

BG3

BG3
Name:	3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID
Formula:	C6 H11 N O5 S
SMILES:	O=S(=O)(O)C1NC(C(=O)O)C(C)C1
InChi:	InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1
Definition date:	2004-07-14
Last modified:	2011-06-04
Identifier:	(3R,5S)-3-methyl-5-sulfo-D-proline

SK4

SK4
Name:	4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
Formula:	C18 H17 N3 O4 S
SMILES:	O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C
InChi:	InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)
Definition date:	2009-01-16
Last modified:	2011-06-04
Identifier:	4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide

BG4

BG4
Name:	5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
Formula:	C7 H14 N2 O3
SMILES:	O=C(O)C1NC(N(O)C)CC1C
InChi:	InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1
Definition date:	2004-07-14
Last modified:	2011-06-04
Identifier:	(3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline

BG5

BG5
Name:	5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C1NC(NO)CC1C
InChi:	InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1
Definition date:	2004-07-14
Last modified:	2011-06-04
Identifier:	(3R,5R)-5-(hydroxyamino)-3-methyl-D-proline

SKF

SKF
Name:	1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
Formula:	C9 H12 N2 O2 S
SMILES:	O=S(=O)(c1ccc2c(c1)CNCC2)N
InChi:	InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
Definition date:	2001-01-08
Last modified:	2011-06-04
Identifier:	1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

SL2

SL2
Name:	3'-DEOXY-2'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE
Formula:	C19 H28 N6 O11 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(OC(=O)C3=CC(N(O)C3(C)C)(C)C)C4
InChi:	InChI=1S/C19H28N6O11P2/c1-18(2)6-11(19(3,4)25(18)27)17(26)35-12-5-10(7-33-38(31,32)36-37(28,29)30)34-16(12)24-9-23-13-14(20)21-8-22-15(13)24/h6,8-10,12,16,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t10-,12+,16+/m0/s1
Definition date:	2003-04-23
Last modified:	2011-06-04
Identifier:	3'-deoxy-2'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate)

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222415

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