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79X

79X
Name:	2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one
Formula:	C17 H13 N O4
SMILES:	O=C3c4c(c2cc1c(ccc(O)c1)n23)cc(OC)c(OC)c4
InChi:	InChI=1S/C17H13NO4/c1-21-15-7-11-12(8-16(15)22-2)17(20)18-13-4-3-10(19)5-9(13)6-14(11)18/h3-8,19H,1-2H3
Definition date:	2010-09-22
Last modified:	2011-06-04
Identifier:	2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one

OTK

OTK
Name:	(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate
Formula:	C26 H38 O10
SMILES:	O=C3OC2C1C(C)C(OC(=O)C(=C/C)C)CC1C(OC(=O)C)(CC(OC(=O)CCC)C2(O)C3(O)C)C
InChi:	InChI=1S/C26H38O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,14,16-18,20-21,31-32H,8,10-12H2,1-7H3/b13-9-/t14-,16-,17+,18-,20+,21-,24-,25+,26+/m0/s1
Definition date:	2010-06-08
Last modified:	2011-06-04
Identifier:	(3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate

7CP

7CP
Name:	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
Formula:	C18 H18 Cl2 N4 O
SMILES:	N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3
InChi:	InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1
Definition date:	2007-11-30
Last modified:	2011-06-04
Identifier:	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

7CS

7CS
Name:	(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
Formula:	C16 H19 N3 O2
SMILES:	O=C(OC2CC1N(C)C(CC1)C2)c4c3cccnc3nc4
InChi:	InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12+
Definition date:	2007-07-11
Last modified:	2011-06-04
Identifier:	(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

7HI

7HI
Name:	(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid
Formula:	C31 H38 N2 O5
SMILES:	O=C(O)CC(O)CC(O)CCn1c(c(c2c1CCCCC2)C(=O)Nc4ccc(c3ccccc3)cc4)CC
InChi:	InChI=1S/C31H38N2O5/c1-2-27-30(31(38)32-23-15-13-22(14-16-23)21-9-5-3-6-10-21)26-11-7-4-8-12-28(26)33(27)18-17-24(34)19-25(35)20-29(36)37/h3,5-6,9-10,13-16,24-25,34-35H,2,4,7-8,11-12,17-20H2,1H3,(H,32,38)(H,36,37)/t24-,25-/m1/s1
Definition date:	2008-02-27
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid

P37

P37
Name:	N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
Formula:	C24 H21 F2 N5 O2
SMILES:	O=C(NC1CC1)c2cc(c(cc2)C)NC=4c3cnn(c3N(C(=O)C=4)C)c5ccc(F)cc5F
InChi:	InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33)
Definition date:	2009-03-12
Last modified:	2011-06-04
Identifier:	N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide

P3Y

P3Y
Name:	5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE
Formula:	C22 H20 N4 O2
SMILES:	O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2c3ccccc3OC)cnc4
InChi:	InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)
Definition date:	2007-08-02
Last modified:	2011-06-04
Identifier:	5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide

AGO

AGO
Name:	2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one
Formula:	C18 H22 N7 O14 P3
SMILES:	O=P(OCC2OC(C(=O)C2OC(=O)c1ccccc1NC)n3c4N=C(N)NC(=O)c4nc3)(O)OP(=O)(O)NP(=O)(O)O
InChi:	InChI=1S/C18H22N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,13,16,20H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,13-,16-/m1/s1
Definition date:	2009-08-06
Last modified:	2011-06-04
Identifier:	2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one

AIO

AIO
Name:	[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
Formula:	C13 H26 B N3 O4
SMILES:	O=C(N1CCCC1B(O)O)C(NC(=O)C(N)C)C(C)CC
InChi:	InChI=1S/C13H26BN3O4/c1-4-8(2)11(16-12(18)9(3)15)13(19)17-7-5-6-10(17)14(20)21/h8-11,20-21H,4-7,15H2,1-3H3,(H,16,18)/t8-,9-,10-,11-/m0/s1
Definition date:	2007-02-23
Last modified:	2011-06-04
Identifier:	[(2R)-1-(L-alanyl-L-isoleucyl)pyrrolidin-2-yl]boronic acid

AJM

AJM
Name:	AJMALINE
Formula:	C18 H22 N2 O2
SMILES:	OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C
InChi:	InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1
Definition date:	2005-06-03
Last modified:	2011-06-04
Identifier:	(5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol

AK6

AK6
Name:	4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
Formula:	C25 H24 N4 O3 S
SMILES:	O=C(Nc1ccccc1)c2cc(c(OC)cc2)NC(=O)CCSCc3cc4c(nc3)ncc4
InChi:	InChI=1S/C25H24N4O3S/c1-32-22-8-7-19(25(31)28-20-5-3-2-4-6-20)14-21(22)29-23(30)10-12-33-16-17-13-18-9-11-26-24(18)27-15-17/h2-9,11,13-15H,10,12,16H2,1H3,(H,26,27)(H,28,31)(H,29,30)
Definition date:	2008-06-24
Last modified:	2011-06-04
Identifier:	4-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide

01I

01I
Name:	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
Formula:	C16 H8 O6
SMILES:	O=C(O)c1oc4c(c1)c3cc2oc(cc2cc3cc4)C(=O)O
InChi:	InChI=1S/C16H8O6/c17-15(18)13-4-8-3-7-1-2-11-10(6-14(21-11)16(19)20)9(7)5-12(8)22-13/h1-6H,(H,17,18)(H,19,20)
Definition date:	2010-03-26
Last modified:	2011-06-04
Identifier:	naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid

031

031
Name:	(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate
Formula:	C30 H39 N3 O8 S
SMILES:	O=C1NC(CC1)CN(S(=O)(=O)c2ccc(OC)cc2)CC(O)C(NC(=O)OC4CC3C(OCC3)C4)Cc5ccccc5
InChi:	InChI=1S/C30H39N3O8S/c1-39-23-8-10-25(11-9-23)42(37,38)33(18-22-7-12-29(35)31-22)19-27(34)26(15-20-5-3-2-4-6-20)32-30(36)41-24-16-21-13-14-40-28(21)17-24/h2-6,8-11,21-22,24,26-28,34H,7,12-19H2,1H3,(H,31,35)(H,32,36)/t21-,22+,24+,26-,27+,28+/m0/s1
Definition date:	2009-04-22
Last modified:	2011-06-04
Identifier:	(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate

04L

04L
Name:	2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide
Formula:	C29 H23 N5 O2
SMILES:	O=C(C=Cc1ccccc1)Nc2cc(c(cc2)C)C(=O)Nc4cc5nc(c3ccccc3)nc5nc4
InChi:	InChI=1S/C29H23N5O2/c1-19-12-14-22(31-26(35)15-13-20-8-4-2-5-9-20)16-24(19)29(36)32-23-17-25-28(30-18-23)34-27(33-25)21-10-6-3-7-11-21/h2-18H,1H3,(H,31,35)(H,32,36)(H,30,33,34)/b15-13+
Definition date:	2010-11-09
Last modified:	2011-06-04
Identifier:	2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide

ANW

ANW
Name:	2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
Formula:	C16 H14 N2 O4
SMILES:	O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
InChi:	InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
Definition date:	2009-10-09
Last modified:	2011-06-04
Identifier:	2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid

ANZ

ANZ
Name:	[(6-AMINO-9H-PURIN-9-YL)-[5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1-BENZOXABOROLE]-4'YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C17 H17 B F N5 O8 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6cc(F)ccc56)O[CH]34
InChi:	InChI=1S/C17H17BFN5O8P/c19-9-1-2-10-8(3-9)4-28-18(10)31-13-11(5-29-33(25,26)27)30-17(14(13)32-18)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17H,4-5H2,(H2,20,21,22)(H2,25,26,27)/q-1/t11-,13-,14-,17-,18+/m1/s1
Definition date:	2007-05-14
Last modified:	2011-06-04
Identifier:	[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate

AO9

AO9
Name:	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine
Formula:	C15 H16 N6 O5 S
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)c3cnc4sccn34
InChi:	InChI=1S/C15H16N6O5S/c16-9-1-2-21(14(25)19-9)13-11(23)10(22)8(26-13)6-17-12(24)7-5-18-15-20(7)3-4-27-15/h1-5,8,10-11,13,22-23H,6H2,(H,17,24)(H2,16,19,25)/t8-,10-,11-,13-/m1/s1
Definition date:	2011-01-07
Last modified:	2011-06-04
Identifier:	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine

057

057
Name:	N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
Formula:	C21 H22 N4 O2
SMILES:	O=C(c1cc2c(cc1)n(cc2c4cc3cccnc3n4)C)NC(C)(C)CO
InChi:	InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)
Definition date:	2009-01-09
Last modified:	2011-06-04
Identifier:	N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide

APB

APB
Name:	M-AMINOPHENYLBORONIC ACID
Formula:	C6 H8 B N O2
SMILES:	OB(O)c1cccc(N)c1
InChi:	InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3-aminophenyl)boronic acid

0A2

0A2
Name:	[(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)
Formula:	C9 H24 B N2 O3
SMILES:	O[B-](OCC)(OCC)C(N)CCCCN
InChi:	InChI=1S/C9H24BN2O3/c1-3-14-10(13,15-4-2)9(12)7-5-6-8-11/h9,13H,3-8,11-12H2,1-2H3/q-1/t9-/m0/s1
Definition date:	2007-11-09
Last modified:	2011-06-04
Identifier:	[(1R)-1,5-diaminopentyl][bis(ethanolato)]hydroxyborate(1-)

0AY

0AY
Name:	diethyl [(1R)-1,5-diaminopentyl]boronate
Formula:	C9 H23 B N2 O2
SMILES:	O(B(OCC)C(N)CCCCN)CC
InChi:	InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1
Definition date:	2007-11-09
Last modified:	2011-06-04
Identifier:	diethyl [(1R)-1,5-diaminopentyl]boronate

AUR

AUR
Name:	AUROVERTIN B
Formula:	C25 H32 O8
SMILES:	O=C1OC(=C(C(OC)=C1)C)C=CC=CC=CC3OC2(C(OC(=O)C)C(OC2CC)(C3O)C)C
InChi:	InChI=1S/C25H32O8/c1-7-20-24(4)23(30-16(3)26)25(5,33-20)22(28)18(32-24)13-11-9-8-10-12-17-15(2)19(29-6)14-21(27)31-17/h8-14,18,20,22-23,28H,7H2,1-6H3/b9-8+,12-10+,13-11+/t18-,20+,22-,23+,24-,25-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S)-4-O-acetyl-1,5:3,6-dianhydro-7,8-dideoxy-1-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)hexa-1,3,5-trien-1-yl]-3,5-dimethyl-D-glycero-L-talo-octitol

PBA

PBA
Name:	PHENYLETHANE BORONIC ACID
Formula:	C8 H11 B O2
SMILES:	OB(O)CCc1ccccc1
InChi:	InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2-phenylethyl)boronic acid

PBC

PBC
Name:	PHENYL BORONIC ACID
Formula:	C6 H7 B O2
SMILES:	OB(O)c1ccccc1
InChi:	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
Definition date:	2001-08-29
Last modified:	2011-06-04
Identifier:	phenylboronic acid

PCU

PCU
Name:	CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN
Formula:	C44 H36 Cu N8
SMILES:	c56C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)(n9%10)n%11%12
InChi:	InChI=1S/C44H36N8.Cu/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[5,10,15,20-tetrakis(1-methylpyridin-4(1H)-ylidene)-5,10,15,20,22,24-hexahydroporphyrinato(4-)-kappa~4~N~21~,N~22~,N~23~,N~24~]copper

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