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LP9

LP9
Name:	3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
Formula:	C21 H23 N3 O6
SMILES:	CCOC(=O)C1=C(O)c2cc(Oc3ccc(cc3)N(CC)CC)cnc2N(O)C1=O
InChi:	InChI=1S/C21H23N3O6/c1-4-23(5-2)13-7-9-14(10-8-13)30-15-11-16-18(25)17(21(27)29-6-3)20(26)24(28)19(16)22-12-15/h7-12,25,28H,4-6H2,1-3H3
Definition date:	2010-02-16
Last modified:	2011-06-04
Identifier:	ethyl 6-[4-(diethylamino)phenoxy]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

LPC

LPC
Name:	[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
Formula:	C22 H47 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
InChi:	InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4R,7R)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatricosan-1-aminium 4-oxide

LPM

LPM
Name:	6,8-DIMERCAPTO-OCTANOIC ACID AMIDE
Formula:	C8 H17 N O S2
SMILES:	O=C(N)CCCCC(S)CCS
InChi:	InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)/t7-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(6R)-6,8-disulfanyloctanamide

LPN

LPN
Name:	(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
Formula:	C35 H41 Cl3 N2 O4
SMILES:	O=C(N(C1CC1)Cc2cc(ccc2Cl)CCCOC)C5C(c4ccc(OCCOc3c(Cl)cc(cc3Cl)C)cc4)CCNC5
InChi:	InChI=1S/C35H41Cl3N2O4/c1-23-18-32(37)34(33(38)19-23)44-17-16-43-28-10-6-25(7-11-28)29-13-14-39-21-30(29)35(41)40(27-8-9-27)22-26-20-24(4-3-15-42-2)5-12-31(26)36/h5-7,10-12,18-20,27,29-30,39H,3-4,8-9,13-17,21-22H2,1-2H3/t29-,30+/m1/s1
Definition date:	2010-08-11
Last modified:	2011-06-04
Identifier:	(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide

LPX

LPX
Name:	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
Formula:	C21 H44 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1
Definition date:	2008-05-01
Last modified:	2011-06-04
Identifier:	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

9AP

9AP
Name:	9-AMINOPHENANTHRENE
Formula:	C14 H11 N
SMILES:	c23c1ccccc1cc(N)c2cccc3
InChi:	InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
Definition date:	2000-02-23
Last modified:	2011-06-04
Identifier:	phenanthren-9-amine

9BD

9BD
Name:	2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
Formula:	C19 H19 N5 O3
SMILES:	n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N
InChi:	InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)
Definition date:	2009-05-07
Last modified:	2011-06-04
Identifier:	2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine

LQZ

LQZ
Name:	2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
Formula:	C14 H22 N2 O
SMILES:	O=C(Nc1c(cccc1C)C)CN(CC)CC
InChi:	InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
Definition date:	2009-09-10
Last modified:	2011-06-04
Identifier:	N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide

LRG

LRG
Name:	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
Formula:	C21 H18 O3
SMILES:	O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
Definition date:	2007-10-24
Last modified:	2011-06-04
Identifier:	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid

QO9

QO9
Name:	1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C24 H43 N3 O8 S Si2
SMILES:	O=C1C(=CN(C(=O)N1)C3OC(C2(OS(=O)(=O)C=C2N)C3O[Si](C(C)(C)C)(C)C)CO[Si](C(C)(C)C)(C)C)C
InChi:	InChI=1S/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1
Definition date:	2011-02-15
Last modified:	2011-06-04
Identifier:	1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione

9CA

9CA
Name:	9H-CARBAZOLE
Formula:	C12 H9 N
SMILES:	c1cccc3c1c2c(cccc2)n3
InChi:	InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
Definition date:	2006-02-14
Last modified:	2011-06-04
Identifier:	9H-carbazole

9CL

9CL
Name:	(chloromethyl)benzene
Formula:	C7 H7 Cl
SMILES:	ClCc1ccccc1
InChi:	InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
Definition date:	2009-02-16
Last modified:	2011-06-04
Identifier:	(chloromethyl)benzene

9DA

9DA
Name:	9-DEAZAADENINE
Formula:	C6 H6 N4
SMILES:	n1c(c2c(nc1)ccn2)N
InChi:	InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
Definition date:	2002-02-25
Last modified:	2011-06-04
Identifier:	5H-pyrrolo[3,2-d]pyrimidin-4-amine

9DG

9DG
Name:	9-DEAZAGUANINE
Formula:	C6 H6 N4 O
SMILES:	O=C1c2c(N=C(N1)N)ccn2
InChi:	InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
Definition date:	2000-01-11
Last modified:	2011-06-04
Identifier:	2-amino-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

9DI

9DI
Name:	9-DEAZAINOSINE
Formula:	C11 H13 N3 O5
SMILES:	O=C1NC=Nc2c1ncc2C3OC(CO)C(O)C3O
InChi:	InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(1S)-1,4-anhydro-1-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-D-ribitol

9DP

9DP
Name:	(3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula:	C24 H25 Cl2 N5 O3
SMILES:	Clc1cccc(c1Cl)NC(=O)Nc4cc(nn4c2ccc3c(c2)CC(C(=O)O)NC3)C(C)(C)C
InChi:	InChI=1S/C24H25Cl2N5O3/c1-24(2,3)19-11-20(29-23(34)28-17-6-4-5-16(25)21(17)26)31(30-19)15-8-7-13-12-27-18(22(32)33)10-14(13)9-15/h4-9,11,18,27H,10,12H2,1-3H3,(H,32,33)(H2,28,29,34)/t18-/m0/s1
Definition date:	2011-02-18
Last modified:	2011-06-04
Identifier:	(3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

QPU

QPU
Name:	1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol
Formula:	C19 H35 N O12
SMILES:	O(C1C(OCC(O)C1O)CO)C3OC(C(NC2C(O)C(C)C(O)C(O)C2O)C(O)C3O)C
InChi:	InChI=1S/C19H35NO12/c1-5-11(23)10(15(27)16(28)12(5)24)20-9-6(2)31-19(17(29)14(9)26)32-18-8(3-21)30-4-7(22)13(18)25/h5-29H,3-4H2,1-2H3/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14-,15-,16-,17+,18+,19+/m0/s1
Definition date:	2008-05-01
Last modified:	2011-06-04
Identifier:	1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol

9DS

9DS
Name:	DANSYL-L-SARCOSINE
Formula:	C15 H18 N2 O4 S
SMILES:	O=C(O)CN(C)S(=O)(=O)c1cccc2c1cccc2N(C)C
InChi:	InChI=1S/C15H18N2O4S/c1-16(2)13-8-4-7-12-11(13)6-5-9-14(12)22(20,21)17(3)10-15(18)19/h4-9H,10H2,1-3H3,(H,18,19)
Definition date:	2010-10-27
Last modified:	2011-06-04
Identifier:	N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-N-methylglycine

9DX

9DX
Name:	(2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
Formula:	C11 H17 N O7
SMILES:	O=C(O)C(N)CC2(OC1C(OCCC1O)C2)C(=O)O
InChi:	InChI=1S/C11H17NO7/c12-5(9(14)15)3-11(10(16)17)4-7-8(19-11)6(13)1-2-18-7/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6+,7+,8+,11+/m0/s1
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	(2R,3aR,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-7-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)

QQ1

QQ1
Name:	2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE
Formula:	C21 H22 N6 S
SMILES:	n1c(c2nc(sc2nc1)c3c(ncn3CC4CCCCC4)c5ccccc5)N
InChi:	InChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24)
Definition date:	2009-08-18
Last modified:	2011-06-04
Identifier:	2-[1-(cyclohexylmethyl)-4-phenyl-1H-imidazol-5-yl][1,3]thiazolo[5,4-d]pyrimidin-7-amine

QQ2

QQ2
Name:	[(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE
Formula:	C24 H27 Cl N6 O2
SMILES:	Clc1ccc(cc1N(c3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3)CC#N)C
InChi:	InChI=1S/C24H27ClN6O2/c1-17-4-9-21(25)22(12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(H,27,28,29)/t19-/m1/s1
Definition date:	2006-06-26
Last modified:	2011-06-04
Identifier:	[(2-chloro-5-methylphenyl){6-[(4-{[(2R)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]pyrimidin-4-yl}amino]acetonitrile

QQ3

QQ3
Name:	(3R)-3-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-PYRROLO[3,4-C]QUINOLIN-2-YL)HEXANOIC ACID
Formula:	C18 H18 N2 O4
SMILES:	O=C(O)CC(N3C(=O)c2c(nc1ccccc1c2C3=O)C)CCC
InChi:	InChI=1S/C18H18N2O4/c1-3-6-11(9-14(21)22)20-17(23)15-10(2)19-13-8-5-4-7-12(13)16(15)18(20)24/h4-5,7-8,11H,3,6,9H2,1-2H3,(H,21,22)/t11-/m1/s1
Definition date:	2009-09-01
Last modified:	2011-06-04
Identifier:	(3R)-3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)hexanoic acid

QQ7

QQ7
Name:	cucurbit[7]uril
Formula:	C42 H42 N28 O14
SMILES:	O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
InChi:	InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+
Definition date:	2010-02-01
Last modified:	2011-06-04

QQQ

QQQ
Name:	1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid
Formula:	C10 H12 N2 O3 S
SMILES:	O=S(=O)(O)c2nc1ccccc1n2C(C)C
InChi:	InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid

QRW

QRW
Name:	3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide
Formula:	C24 H21 F3 N6 O
SMILES:	FC(F)(F)c1ccccc1CNC(=O)c4cc(NCc3nnc(c2ccncc2)n3C)ccc4
InChi:	InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)
Definition date:	2010-12-10
Last modified:	2011-06-04
Identifier:	3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide

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