Data for (Study ST004341)

(Analysis AN007249)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3
10S-HODE	0.4311	1.3808	1.5294
1-(10-methyl-hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine	2.2499	0.0001	0.0001
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate	2.2497	0.0002	0.0002
11,12,13-trihydroxy-9-octadecenoic acid	0.9285	1.0545	1.0599
1,1^-Bis(2-hydroxy-3-methylcarbazole)	1.8794	0.5930	0.0000
(-)-11-nor-9-carboxy-?9-THC-d3	0.0001	0.0001	3.5997
11-O-Demethylpradimicinone II	2.2500	0.0000	0.0000
11-O-Demethylpradimicinone II Esi-1.17	2.2498	0.0002	0.0002
12(13)-EpOME	1.0914	1.8538	0.0000
12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid	0.0001	0.0001	3.5997
1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene	1.3398	1.4562	0.0000
1,2,3-Trichlorobenzene	0.0000	0.0000	3.6000
1?,25-dihydroxy-11?-phenylvitamin D3 / 1?,25-dihydroxy-11?-phenylcholecalciferol	0.8519	2.2369	0.0000
1?,25-dihydroxy-24a-homo-22-thia-20-epivitamin D3 / 1?,25-dihydroxy-24a-homo-22-thia-20-epicholecalciferol	2.2496	0.0003	0.0003
1?,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 / 1?,25-dihydroxy-25,25-diphenyl-26,27-dinorcholecalciferol	2.2500	0.0000	0.0000
1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 / 1?,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norcholecalciferol	0.0001	3.5996	0.0001
1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-20,21-didehydro-23-oxacholecalciferol	0.0000	3.6000	0.0000
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione	1.1466	0.9479	0.8174
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one	1.0578	0.8577	1.0498
12alpha-Methylpregna-4,9(11)-diene-3,20-dione	1.2876	1.5399	0.0000
12alpha-Methylpregna-4,9(11)-diene-3,20-dione Esi-15.2185	0.9280	1.2020	0.9133
1,2-Di(2-pyridyl)ethylene	0.0000	1.3410	2.2590
1,2-Dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine	0.5444	0.9876	1.7413
1,2-Distearoyl phosphatidyl serine	2.2499	0.0001	0.0001
1,2-Glyceryl dinitrate	1.4888	0.5396	0.6784
1,2-Glyceryl dinitrate Esi-1.2638462	2.2500	0.0000	0.0000
1,2-Glyceryl dinitrate glucuronide	1.1523	0.7410	1.0153
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate	1.2338	0.8126	0.8133
12R-HOME(13Z)	1.2371	0.0000	1.6206
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid	1.5538	0.0000	1.1139
12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid Esi-15.246286	0.4020	2.9568	0.0000
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4	1.3489	0.0000	1.4418
13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4 Esi-7.218078	0.9302	0.0001	2.1116
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	0.0000	3.5999	0.0000
13-(2-Methylcrotonoyl)oxylupanine	1.1307	0.8027	0.9882
1-(3,4-Dihydroxyphenyl)-1-decene-3,5-dione	0.6787	1.0009	1.5132
1,3,5-Trihydroxy-10-methylacridone	1.1124	0.8705	0.9497
1,3,5-Trihydroxy-10-methylacridone Esi-5.972	1.2096	0.0001	1.6646
13-Dihydrocarminomycin	2.2500	0.0000	0.0000
1,3-Dinitropyrene	1.2977	0.0000	1.5237
1(3)-glyceryl-6-keto-PGF1?	1.0012	1.1248	0.8733
1(3)-glyceryl-6-keto-PGF1? Esi-10.624619	1.2416	0.8465	0.7670
1(3)-glyceryl-PGF2?	0.8653	1.1684	1.0470
14,14,14-Trifluoro-11E-tetradecenyl acetate	2.2500	0.0000	0.0000
14,14,14-Trifluoro-11Z-tetradecenyl acetate	2.2282	0.0175	0.0175
14,15-HxA3-C(11S)	0.0000	3.6000	0.0000
14,15-LTC4	0.9167	0.7365	1.3968
14,19-Dihydroaspidospermatine	2.2500	0.0000	0.0000
14,19-Dihydroaspidospermatine Esi-19.115	2.2499	0.0000	0.0000
14alpha-Hydroxyixocarpanolide	0.0001	0.0001	3.5997
1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)	2.2493	0.0006	0.0006
1,4-beta-D-Glucan	2.2500	0.0000	0.0000
1,4-Bis(chloromethoxymethyl)benzene	1.2151	0.7213	0.9346
14-chlorotetracosane-1,15-disulfate	1.0281	0.9542	1.0008
14-chlorotetracosane-1,15-disulfate Esi-13.981997	0.9647	2.0565	0.0000
1,5-Diferuloylquinic acid	0.0000	3.6000	0.0000
15-HETE-VA	0.0001	3.5999	0.0001
15-methoxy-tricosanoic acid	0.4807	1.5841	1.2467
1-(5^-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	2.2498	0.0001	0.0001
15(S)-15-methyl PGF2? isopropyl ester	2.2499	0.0001	0.0001
15(S)-HETE-biotin	1.0272	0.9330	1.0235
15(S)-HETE-biotin Esi-23.795	0.0000	3.6000	0.0000
16:1 Campesteryl ester	0.0000	1.3603	2.2397
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	1.2143	1.6571	0.0000
16-a-Hydroxypregnenolone	0.0002	0.0002	3.5995
16beta-16-Hydroxy-3-oxo-1,12-oleanadien-28-oic acid	2.2500	0.0000	0.0000
16-Hydroxy-10-oxohexadecanoic acid	0.0003	0.0003	3.5992
16?-Hydroxy-17-epistanozolol	0.0000	2.0632	1.5367
16?-Hydroxy-17-epistanozolol Esi-14.794	0.0001	0.0001	3.5998
16?-Hydroxy-17-epistanozolol Esi-15.883	0.0002	3.5996	0.0002
17,20-Hexacosadienoic acid	2.2499	0.0001	0.0001
17,20-Hexacosadienoic acid Esi-20.101692	0.6631	1.0946	1.4444
17-?, 21-Dihydroxy-11,20-dioxo-5-?-pregnan-3-?-yl-?-d-glucuronide	1.0686	0.9563	0.9340
(17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione	2.2500	0.0000	0.0000
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol	2.2499	0.0001	0.0001
17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol	0.0002	0.0002	3.5995
17beta-Hydroxy-4-mercaptoandrost-4-en-3-one 4-acetate 17-propionate	2.2499	0.0000	0.0000
17beta-Hydroxy-4-methylandrost-4-en-3-one	1.0861	0.9400	0.9223
17beta-Pyrazol-3-ylandrost-5-en-3beta-ol	1.6768	0.9171	0.0000
17-phenyl-trinor-PGE2	1.0019	0.9591	1.0378
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2?	2.2497	0.0003	0.0003
17-trifluoromethylphenyl trinor PGF2?	2.2500	0.0000	0.0000
17-trifluoromethylphenyl trinor PGF2? methyl ester	0.0005	0.0005	3.5987
18-bromo-8E,17E19Z-tricosatrien-4,6-diynoic acid	0.8828	0.9297	1.2578
18-hydroxypregna-1,4,20-trien-3-one	1.2946	1.5286	0.0000
18-hydroxypregna-1,4,20-trien-3-one Esi-16.252502	1.1709	0.0000	1.7265
1-(9,14-dimethyl-pentadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol	0.6836	1.6523	0.8539
19-Chloro-17beta-hydroxyandrost-4-en-3-one	0.0002	3.5994	0.0002
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol	1.0193	1.0564	0.9126
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol Esi-9.872001	2.2500	0.0000	0.0000
19-Hydroxycinnzeylanol 19-glucoside	1.0367	0.9808	0.9604
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol	2.2498	0.0001	0.0001
1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid	0.7778	1.1812	1.1743
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline	2.2499	0.0001	0.0001
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone	1.0954	0.8969	0.9504
1-Benzyloxycarbonylaminophenethyl Chloromethyl Ketone Esi-5.037	0.0006	0.0006	3.5985
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo-	0.0000	3.6000	0.0000
1-epi-Fortimicin B	1.0451	0.9185	1.0094
1-epi-Fortimicin B Esi-12.41777	1.4187	1.3301	0.0000
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3	1.4427	0.7555	0.5362
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-12.445	0.0002	0.0002	3.5994
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 Esi-15.548998	0.0000	3.5999	0.0000
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	0.9018	1.1004	1.0567
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate Esi-1.7930001	0.0000	3.6000	0.0000
(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester	0.9738	0.8175	1.2245
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol	2.2500	0.0000	0.0000
1?-hydroxy-2?-(3-hydroxypropoxy) vitamin D3 / 1?-hydroxy-2?-(3-hydroxypropoxy)cholecalciferol Esi-18.329	0.0004	3.5990	0.0004
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol	1.1170	0.9402	0.8727
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-20.962	0.0004	0.0004	3.5990
1?-hydroxy-2?-(5-hydroxypentoxy)vitamin D3 / 1?-hydroxy-2?-(5-hydroxypentoxy)cholecalciferol Esi-21.0028	1.5381	0.0001	1.1389
1-Hydroxycarvedilol	1.0396	0.9273	1.0094
1-(Indol-3-yl)propanol 3-phosphate	1.0215	0.8154	1.1501
1-Methylhypoxanthine	0.6870	2.5007	0.0000
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone	1.4656	0.0000	1.2550
1-O-2^-Hydroxy-4^-methoxycinnamoyl-b-D-glucose	0.0001	0.0001	3.5999
1-O-[2^^-sulfo-alpha-D-Mannosyl -1^^-2^-alpha-D-Glucosyl]-sn-2,3-di-O-phytanylglycerol	2.2499	0.0001	0.0001
1^-O-Acetylpaxilline	0.9721	0.0001	2.0446
1-(O-alpha-D-mannopyranosyl)-(1,3R,25S,27R)-octacosanetetraol	2.2499	0.0000	0.0000
1-O-Galloylglycerol	0.6205	2.6072	0.0000
1-O-Galloylglycerol Esi-0.86399996	0.0001	3.5998	0.0001
1-Phenyl-1,3-octadecanedione	2.2500	0.0000	0.0000
1-Phenyl-1,3-octadecanedione Esi-19.642	2.2499	0.0001	0.0001
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid	0.8171	1.2929	0.9998
(1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid Esi-0.8549233	1.4660	0.0000	1.2544
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	2.2499	0.0001	0.0001
(20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 / (20R)-1?,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol	2.2499	0.0001	0.0001
2,2^-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol	0.8491	1.1596	1.0818
22:2(5Z,9Z)(13Me,17Me,21Me)	0.0003	0.0003	3.5993
22:3-Glc-Stigmasterol	1.0310	0.8293	1.1211
2,2^,5-Trichloro-4-hydroxybiphenyl	0.9590	0.0000	2.0657
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-18.394	2.2500	0.0000	0.0000
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.11475	2.2500	0.0000	0.0000
2,2^,5-Trichloro-4-hydroxybiphenyl Esi-19.373375	2.2500	0.0000	0.0000
22-Acetylpriverogenin B	2.2500	0.0000	0.0000
2,2-Bis(4-hydroxyphenyl)hexafluoropropane	0.0001	3.5998	0.0001
2,2-Bis(4-hydroxyphenyl)hexafluoropropane Esi-0.66150004	1.5408	0.0001	1.1347
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate	0.6472	1.2970	1.2674
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate Esi-18.447002	0.0000	3.6000	0.0000
(22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 / (22E,24E,24bE)-1?,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomocholecalciferol	2.2500	0.0000	0.0000
(22E,24R)-Stigmasta-4,22-diene-3,6-dione	0.0000	1.6900	1.9100
22-epi-Hippurin-1	2.2500	0.0000	0.0000
22-keto-26-Hexacosanolide	0.8419	2.2529	0.0000
22-Oxo-docosanoate	2.2498	0.0001	0.0001
22-Oxo-docosanoate Esi-19.509	2.2497	0.0003	0.0003
22-Oxo-docosanoate Esi-20.011	2.2495	0.0004	0.0004
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol	2.2499	0.0001	0.0001
(22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1?,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol Esi-15.688002	0.0000	0.0000	3.6000
2,3,3-Triphenylacrylonitrile	0.0001	3.5997	0.0001
2,3,4-Trioxycyclopentanone	0.6624	1.4971	1.0430
2,3,7,8-Tetrachlorodibenzofuran	0.0001	0.0001	3.5998
2,3-Dehydrosilychristin	0.0001	3.5999	0.0001
2,3-dihydrothieno-Thiadiazole Carboxylate	0.0000	1.6818	1.9182
2,3-Dihydroxy-4-Methoxy-4^-Ethoxybenzophenone	0.0001	0.0001	3.5998
2,3-dinor Fluprostenol	1.0882	1.0874	0.7714
(23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxyvitamin D3 / (23S)-26,26,26,27,27,27-hexafluoro-1?,23,25-trihydroxycholecalciferol	0.0000	0.0000	3.6000
23-trans-p-Coumaroyloxytormentic acid	1.1383	0.0000	1.7788
24,24-difluoro-1?,25-dihydroxy-24a-homovitamin D3 / 24,24-difluoro-1?,25-dihydroxy-24a-homocholecalciferol	2.2499	0.0000	0.0000
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	2.2500	0.0000	0.0000
24,25-Diacetylvulgaroside	2.2500	0.0000	0.0000
24:2(5Z,9Z)(11Me,15Me,19Me,23Me)	0.0004	0.0004	3.5990
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	0.0001	3.5997	0.0001
2,4,5,6-Phenanthrenetetrol	2.2499	0.0000	0.0000
2,4,5-Trichlorophenoxyacetic Acid, Isooctyl Ester	2.2498	0.0002	0.0002
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol	0.0000	1.8494	1.7506
24-Acetyl- 25-cinnamoylvulgaroside	0.5496	1.4341	1.2865
24-Acetyl- 25-cinnamoylvulgaroside Esi-16.903997	0.0000	3.6000	0.0000
2,4-dichloro-N-propylbenzamide	0.9846	0.0001	2.0245
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one	0.6070	2.6288	0.0000
2,4-Dimethyl-2-pentacosenoic acid	0.8385	1.2573	1.0011
2,4-Dimethyl-2-pentacosenoic acid Esi-20.993261	1.2905	0.0000	1.5352
(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid	2.2500	0.0000	0.0000
2-(4-Hydroxyphenyl)naphthalic anhydride	1.1494	0.6894	1.0715
2-(4-Hydroxyphenyl)naphthalic anhydride Esi-7.146	0.0010	3.5974	0.0010
24-methylene-cholesterol sulfate	2.2500	0.0000	0.0000
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol	0.8606	1.1501	1.0729
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol	0.9179	1.1432	0.9882
(24S)-24-fluoro-1?,25-dihydroxyvitamin D2 / (24S)-24-fluoro-1?,25-dihydroxyergocalciferol Esi-23.75	0.0000	0.0000	3.6000
25-Hydroxycholecalciferol (25-hydroxyvitamin D3)	2.2497	0.0003	0.0003
(25R)-11alpha,20,26-trihydroxyecdysone	0.9206	0.0000	2.1270
(25R)-26,26,26-trifluoro-1?,25-dihydroxyvitamin D3 / (25R)-26,26,26-trifluoro-1?,25-dihydroxycholecalciferol	0.0007	0.0007	3.5982
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine	0.4827	1.4250	1.4027
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine Esi-15.506749	1.9130	0.5392	0.0000
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside	1.0733	0.8728	1.0099
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-13.956809	0.4905	1.0241	1.7910
(25R)-5alpha-spirostan-3beta,6alpha,23S-triol 3-O-alpha-L-rhamnopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside Esi-14.336	0.0000	0.0000	3.6000
26,26,26,27,27,27-hexafluoro-1?,25-dihydroxyvitamin D3 / 26,26,26,27,27,27-hexafluoro-1?,25-dihydroxycholecalciferol	2.2500	0.0000	0.0000
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol	0.9942	1.1456	0.8637
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.198999	0.0000	0.0000	3.6000
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-10.2890005	0.0000	0.0000	3.5999
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.429	2.2499	0.0000	0.0000
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol Esi-11.430093	1.1537	0.0000	1.7541
2^^,6^^-Di-O-acetylononin	1.3818	1.3890	0.0001
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.06	2.2499	0.0001	0.0001
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.547	2.2500	0.0000	0.0000
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate Esi-16.567	2.2500	0.0000	0.0000
26-Hydroxybrassinolide	2.2500	0.0000	0.0000
26-O-beta-D-glucopyranosyl-22R-methoxyl-(25R)-furost-5-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-{[R-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]}-beta-D-glucopyranoside	1.0228	1.0220	0.9415
2-(7^-Methylthio)heptylmalic acid	0.6437	1.3801	1.1900
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine	2.2500	0.0000	0.0000
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.884	0.0000	0.0000	3.5999
2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine Esi-16.886997	0.0001	3.5999	0.0001
28:7(n-6)	1.4587	0.5644	0.7016
28:7(n-6) Esi-22.012001	1.7878	0.0001	0.7395
29:2(5Z,9Z)(6Br)	1.0719	1.0069	0.8780
29:2(5Z,9Z)(6Br) Esi-14.901	2.2500	0.0000	0.0000
29-demethylgeodisterol-O-sulfite	0.9236	1.0201	1.1022
2-(Acetamidomethylene)succinate	0.0000	3.6000	0.0000
2-Acetolactic acid	1.4349	0.0000	1.3042
2-Acetolactic acid Esi-21.026	2.2496	0.0003	0.0003
2-(a-Hydroxyethyl)thiamine diphosphate	0.4773	0.8482	1.9882
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate	0.4410	1.4225	1.4719
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate Esi-14.866998	0.7473	0.0000	2.4044
2alpha,7beta,15beta,18-tetraacetoxy-cholest-5-en-3alpha-ol	0.0000	3.6000	0.0000
2-Amino-1,2-bis(p-chlorophenyl)ethanol	1.1793	0.7094	1.0036
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine	1.1712	0.6959	1.0302
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-5.9999514	0.5404	1.2844	1.4509
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-6.372	0.0013	3.5966	0.0013
2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine Esi-8.364308	1.1702	0.0000	1.7277
2-Amino-3-oxobutanoate	1.2265	1.6376	0.0000
2-APB	0.0002	1.7360	1.8638
2-Arachidonoyl Glycerol-d8	1.3413	1.4539	0.0001
2-Butyl-1H-benzimidazole	0.0000	3.5999	0.0000
(2-Butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone	2.2500	0.0000	0.0000
2-Butylbenzothiazole	0.0002	3.5996	0.0002
2-carbazol-9-ylbenzoic acid	0.0000	0.0000	3.5999
2-Chloro-1,1,1-trifluoroethane	0.0000	0.0000	3.5999
2-Chloro-1,1,1-trifluoroethane Esi-0.85225	0.8644	2.2170	0.0000
2-Chloro-1,1,2-trifluoroethyl ethyl ether	2.2500	0.0000	0.0000
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.2605551	1.0763	0.8398	1.0381
2-Chloro-1,1,2-trifluoroethyl ethyl ether Esi-1.5084999	0.0000	2.1792	1.4208
2-C-Methyl-D-erythritol 4-phosphate	2.2499	0.0001	0.0001
2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone	2.2500	0.0000	0.0000
2-demethylmenaquinone-8	2.2500	0.0000	0.0000
2-deoxy-20-hydroxyecdysone 22-phosphate	0.9941	1.2145	0.7949
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-10.612	0.0001	0.0001	3.5998
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.433553	0.8323	1.0285	1.2398
2-deoxy-20-hydroxyecdysone 22-phosphate Esi-11.438	0.0000	0.0000	3.5999
2-deoxyecdysone 22-phosphate	0.0002	3.5996	0.0002
2-deoxyecdysone 22-phosphate Esi-13.526	0.0002	0.0002	3.5996
2-Dodecylbenzenesulfonic acid	0.0000	0.0000	3.5999
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	1.5873	0.0000	1.0604
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein Esi-1.4988573	1.5935	0.0000	1.0504
2-Ethoxythiazole	0.0000	0.0000	3.6000
2-glyceryl-6-keto-PGF1?	1.1130	1.8191	0.0001
2-glyceryl-6-keto-PGF1? Esi-11.426	0.0000	0.0000	3.5999
2-Heptenedioic acid, 4-oxo-	2.2500	0.0000	0.0000
2-Hydroxy-22-methyltetracosanoic acid	2.2499	0.0001	0.0001
2-Hydroxy-22-methyltetracosanoic acid Esi-20.554382	0.5800	1.3704	1.3017
2-Hydroxy-24-keto-octacosanolide	2.2500	0.0000	0.0000
2-Hydroxy-24-keto-octacosanolide Esi-21.0155	1.6956	0.0002	0.8868
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	0.8687	1.5562	0.6538
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	2.2500	0.0000	0.0000
(?-2-Hydroxy-4-(methylthio)butanoic acid	0.9569	1.0146	1.0542
(?-2-Hydroxy-4-(methylthio)butanoic acid Esi-6.1074557	1.0866	0.8961	0.9654
2-Hydroxyhexadecanoic acid	0.7760	1.0042	1.3542
2-Hydroxymyristic Acid	0.5667	0.0001	2.6931
2-hydroxy-nonadecanoic acid	1.3130	0.6894	0.8097
2-Hydroxytenoxicam	0.0001	0.0001	3.5998
2-hydroxy-tricosanoic acid	1.2115	0.7926	0.8690
2-hydroxy-tricosanoic acid Esi-21.992998	2.2493	0.0005	0.0005
2-Imino-4-methylpiperidine	1.0769	0.0001	1.8768
2-[(Isopropylthio)methyl]furan	1.6321	0.9887	0.0000
2-Keto valeric acid	2.2499	0.0001	0.0001
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	1.3872	0.0000	1.3804
2-Methyl-4-oxopentanedioic acid	1.2843	0.5110	1.0341
2-Methyl-4-oxopentanedioic acid Esi-1.251	2.2500	0.0000	0.0000
2-(Methylthio)propane	0.0003	0.0003	3.5993
2-Naphthaleneacetic acid, 6-(sulfooxy)-	2.2499	0.0001	0.0001
2-Naphthaleneacetic acid, 6-(sulfooxy)- Esi-1.52	2.2483	0.0013	0.0013
2-O-(beta-D-galactopyranosyl-(1-6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid	2.2500	0.0000	0.0000
2-O-Caffeoylglucarate	1.5537	0.4150	0.6991
2-O-Galloylgalactaric acid	1.1290	1.7936	0.0000
2-O-p-Coumaroyltartronic acid	0.0000	0.0000	3.5999
2-Oxopropyl-CoM	1.2252	0.1418	1.4980
2-Phenylethyl octanoate	1.0189	1.0700	0.8998
2-Phthalimidoglutaric acid	2.2499	0.0001	0.0001
2-Propylglutaric acid	2.2497	0.0003	0.0003
(2R,4S)-2,4-Diaminopentanoate	1.3874	1.3801	0.0000
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1-6)-b-D-glucopyranoside]	2.2500	0.0000	0.0000
2-Stearyl citrate	0.0001	3.5999	0.0001
2-trans,6-cis-farnesyl diphosphate	2.2499	0.0001	0.0001
(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol	2.2491	0.0007	0.0007
(2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol	0.0001	3.5998	0.0001
32,35-anhydrobacteriohopaneterol	0.8776	1.1292	1.0667
32:5(14Z,17Z,20Z,23Z,26Z)	1.3843	0.0000	1.3852
32:5(14Z,17Z,20Z,23Z,26Z) Esi-21.008463	1.3082	1.5069	0.0000
32:5(14Z,17Z,20Z,23Z,26Z) Esi-22.019249	1.5270	0.0002	1.1566
3-(2,5-Dimethoxyphenyl)propanoic acid	0.9423	1.0705	1.0217
3-(2-Furanyl)-2-propenal	0.0000	0.0000	3.5999
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol	2.2499	0.0001	0.0001
3,3^-Bisanigorufone	2.2500	0.0000	0.0000
3,3^-Dichloro-4,4^-diaminodiphenyl ether	2.2497	0.0002	0.0002
3,3-Difluoro-17-methyl-5alpha-androstan-17beta-ol	0.0002	0.0002	3.5995
3,3^-Dimethoxybenzidine	0.9667	1.1169	0.9363
34:6(16Z,19Z,22Z,25Z,28Z,31Z)	2.2500	0.0000	0.0000
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-21.001324	0.6143	1.5187	1.0984
34:6(16Z,19Z,22Z,25Z,28Z,31Z) Esi-22.015	2.2498	0.0002	0.0002
3^,4^-Anhydrovinblastine	1.1580	0.8575	0.8897
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate	0.0002	0.0002	3.5995
3,4-Methylenedioxybenzoic acid	2.2497	0.0002	0.0002
3,5,6-Trihydroxy-3^,4^,7-trimethoxyflavone 3-glucuronide	2.2499	0.0000	0.0000
35-aminobacteriohopane-31,32,33,34-tetrol	2.2496	0.0003	0.0003
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid	2.2500	0.0000	0.0000
36:6(5Z,9Z,12Z,15Z,18Z,21Z)(34Me[S])	1.4370	0.0000	1.3009
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid	0.7572	1.0388	1.3497
3?,6?,7?,12?-Tetrahydroxy-5?-cholest-24-en-26-oic acid Esi-16.144	2.2500	0.0000	0.0000
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid	1.0811	0.0000	1.8702
3alpha,7alpha,12alpha-trihydroxy-27a,27b-dihomo-5beta-cholestane-26,27b-dioic acid	2.2500	0.0000	0.0000
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide	0.6793	1.4113	1.1018
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.433	0.0001	0.0001	3.5998
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide Esi-11.4330015	0.7180	1.1260	1.3252
3alpha-Hydroxy-5beta-chol-14-en-24-oic Acid	1.0535	1.0809	0.8335
3-Amino-4,7-dihydroxycoumarin	0.0000	0.0000	3.5999
3b,15b,17a-Trihydroxy-pregnenone	2.2500	0.0000	0.0000
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside	0.9497	1.1538	0.9266
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.446557	1.6623	0.0000	0.9403
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.668497	0.9537	2.0740	0.0000
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-13.684941	0.8951	1.1467	1.0212
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside Esi-16.573	0.0001	0.0001	3.5997
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol	2.2500	0.0000	0.0000
(3b,5a,6b,25R)-3,6-Dihydroxyspirostane-2,12-dione 3-[4^-(2^^-glucosyl-3^^-xylosyl)-galactoside]	0.0000	0.0000	3.5999
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide	0.7495	1.1539	1.2469
3-Benzoyloxy-11-oxo-12-ursen-28-oic acid	1.0183	0.9889	0.9818
(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol	2.2497	0.0002	0.0002
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol	2.2499	0.0001	0.0001
3beta-Acetoxy-19alpha-hydroxy-12-ursene	0.3463	1.4592	1.5867
3beta-Cycloartane-3,29-diol	0.6846	0.8075	1.6971
3beta-Cycloartane-3,29-diol Esi-21.035477	0.9342	2.1053	0.0000
3beta-Fluoro-5alpha-androstan-17beta-ol	0.0000	1.4915	2.1085
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide	2.2499	0.0001	0.0001
3-Bromo-tyrosine	0.4668	1.2063	1.6468
3-Chloro-2-hydroxymuconic semialdehyde	0.8888	0.0000	2.1779
3-Demethylsimmondsin 2^-(Z)-ferulate	2.2499	0.0001	0.0001
3^-Demethylstaurosporine	2.2500	0.0000	0.0000
3^-Demethylstaurosporine Esi-18.837	0.0000	0.0000	3.5999
3-Deoxy-D-manno-octulosonate	1.5497	1.1204	0.0000
3-Deoxy-D-manno-octulosonate 8-phosphate	2.2500	0.0000	0.0000
3-Deoxy-D-manno-octulosonate Esi-1.309	2.2478	0.0017	0.0017
3^-Deoxydryopteric acid	0.0000	2.2046	1.3954
3^-Deoxydryopteric acid Esi-0.7716665	0.9238	2.1218	0.0000
3^-Deoxystreptomycin 3^^-phosphate	0.9917	1.0873	0.9259
3^-Deoxystreptomycin 3^^-phosphate Esi-13.791	2.2499	0.0001	0.0001
3^-Deoxystreptomycin 3^^-phosphate Esi-13.794664	0.7300	1.4166	1.0155
3-Formylrifampin	2.2500	0.0000	0.0000
3-Formylrifampin Esi-14.060999	2.2500	0.0000	0.0000
3-Hydroxy-3-methyl-glutaric acid	0.5899	0.9262	1.7300
3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	0.8199	1.2425	1.0457
3-Hydroxy-7-acetamidoclonazepam	1.0913	0.8763	0.9776
3-Hydroxy-7-acetylaminonitrazepam	1.5484	0.0000	1.1225
3-Hydroxy-beta-ionol 3-[glucosyl-(1-6)-glucoside]	0.0000	3.6000	0.0000
3-?-Hydroxydeoxygedinin	0.0001	0.0001	3.5998
3^-HydroxyIndinavir	2.2499	0.0000	0.0000
3^-HydroxyIndinavir Esi-15.330999	0.0000	0.0000	3.5999
3-Hydroxy-L-proline	1.0257	0.8908	1.0681
3-Hydroxy-L-proline Esi-0.955	2.2498	0.0001	0.0001
3-Hydroxy-L-proline Esi-1.23	0.0000	3.5999	0.0000
3-Hydroxyneogrifolin	0.5582	1.2300	1.4768
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole	2.2499	0.0001	0.0001
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile	1.7153	0.0000	0.8555
3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile Esi-4.29	1.6724	0.0000	0.9241
3-Mercaptohexyl butyrate	0.5982	0.9939	1.6489
3-Mercaptohexyl hexanoate	0.9748	1.0709	0.9695
3-Mercaptohexyl hexanoate Esi-10.98	2.2494	0.0004	0.0004
3-Methoxy-4-hydroxyphenylethylene glycol	0.0004	0.0004	3.5990
3-Methyl-2-thiohydantoin	1.6327	0.0000	0.9876
3-Methyl-2-thiohydantoin Esi-0.82217646	0.0000	1.7446	1.8554
3-Methylsuberic acid	1.4574	0.0002	1.2679
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone	2.2500	0.0000	0.0000
3^-N-Debenzoyltaxol	1.0835	1.2252	0.6412
3-O-alpha-L-Arabinopyranosyl-L-arabinose	0.0006	3.5985	0.0006
3^-O-Methyl-(-)-epicatechin-7-O-sulphate	1.5339	0.0000	1.1457
3-O-Methylniveusin A	1.0529	1.9153	0.0000
3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol	0.5619	1.5392	1.1618
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol	0.0000	0.0000	3.6000
3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-5alpha-spirostan-3beta-ol Esi-14.215151	0.4581	1.3811	1.4858
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol	1.0606	1.9031	0.0000
3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furosta-5,20(22)-dien-3beta,26-diol Esi-13.189001	0.0000	0.0000	3.5999
3-oxoglutaric acid	2.2500	0.0000	0.0000
3-oxoglutaric acid Esi-1.0950001	0.0000	0.0000	3.6000
3-oxohexacosanoic acid	1.5858	0.0000	1.0627
3-oxo-tetracosanoic acid	0.8724	0.0001	2.2042
3R-hydroxy-eicosanoic acid	2.2498	0.0001	0.0001
3-tert-Butyl-5-methylcatechol	1.0698	0.9547	0.9337
3-Vinylbacteriochlorophyllide d	0.0000	1.6973	1.9026
3-Vinylbacteriochlorophyllide d Esi-10.615	0.0002	0.0002	3.5995
(3Z)-Phytochromobilin	1.5126	1.1799	0.0000
4,4^^-bis(N-feruloyl)serotonin	2.2500	0.0000	0.0000
4,4^^-bis(N-feruloyl)serotonin Esi-14.83	0.0000	0.0000	3.5999
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate	0.7742	0.0000	2.3612
4,4^-(Diphenylethenylidene)bis[N,N-dimethylbenzenamine]	2.2499	0.0001	0.0001
4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]	2.2499	0.0001	0.0001
4,4^-Thiobis-2-butanone	0.8217	0.8584	1.4268
4-[(5-amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]-Benzamide	2.0299	0.3521	0.0000
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin	0.7916	1.0687	1.2647
4-Acetyl-2(3H)-benzoxazolone	0.0000	0.0000	3.5999
4-Amino-2-nitrophenol	2.2500	0.0000	0.0000
4-Amino-2-nitrophenol Esi-0.7922775	1.2631	0.9427	0.6362
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid	2.2500	0.0000	0.0000
4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate	2.2499	0.0000	0.0000
4-Aminoethylbenzenesulfonyl Fluoride	0.0000	0.0000	3.5999
4-Bromophenylacetate	0.0000	0.0000	3.5999
4-Carboxy-4^-sulfoazobenzene	1.0911	0.8692	0.9850
4-Carboxy-4^-sulfoazobenzene Esi-1.5220001	0.0001	0.0001	3.5998
4-Chloro-6,7-dimethoxy-2-benzoxazolinone	1.3250	0.0001	1.4800
4^-Cinnamoylmussatioside	1.1491	0.9475	0.8138
4-Feruloyl-1,5-quinolactone	0.4463	1.5044	1.3816
4-Fluoro-L-threonine	2.2499	0.0001	0.0001
4-Glucogallic acid	2.2500	0.0000	0.0000
4-Glucogallic acid Esi-15.439053	0.9694	1.0154	1.0335
4^-Hydroxyfenoprofen	0.0001	0.0001	3.5997
4^-Hydroxyfenoprofen Esi-6.271	0.0000	3.5999	0.0000
4-Hydroxyfurano[2^^,3^^:6,7]aurone	1.5024	0.0000	1.1961
4-Hydroxypenbutolol glucuronide	1.1689	1.0391	0.6907
4-Hydroxypenbutolol glucuronide Esi-13.303999	0.0001	0.0001	3.5998
4-Hydroxyrottlerin	0.0004	0.0004	3.5991
4-Methylburimamide	0.7547	0.9260	1.4666
4-Methylburimamide Esi-13.114	0.0002	3.5994	0.0002
4-Methyldibenzothiophene	0.8124	0.0002	2.3000
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	0.0003	3.5991	0.0003
4-(Methylthio)-1-butanol	2.2500	0.0000	0.0000
4-(Methylthio)-1-butanol Esi-6.2737703	0.5339	1.1499	1.5958
(4OH,8Z,t18:1) sphingosine	2.2489	0.0009	0.0009
4^-O-Methyl-(-)-epicatechin-7-O-sulphate	2.2500	0.0000	0.0000
4^-O-Methylglucoliquiritigenin	2.2500	0.0000	0.0000
4^-O-Methylneobavaisoflavone 7-O-(2^^-p-coumaroylglucoside)	2.2500	0.0000	0.0000
4-oxo 2-Nonenal-d3	1.0885	0.7419	1.1164
4-oxo 2-Nonenal-d3 Esi-5.091	0.0001	0.0001	3.5997
4-Phenylbutyl glucosinolate	1.1113	0.0000	1.8219
4-Phenylpyridine	0.0000	1.5108	2.0892
4-Quinolinemethanol, 2,8-bis(trifluoromethyl)-	0.0000	0.0000	3.5999
4-Quinolone-3-Carboxamide Furan CB2 Agonist	0.0001	3.5998	0.0001
(4S,6S)-4-Hydroxy-1,7-dioxaspiro[5.5]undecane	0.0008	3.5979	0.0008
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester	1.5046	0.6121	0.5806
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one	2.2499	0.0000	0.0000
5-((2-hydroxy-2-methylpropoxy)carbonyl)-2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid	2.2500	0.0000	0.0000
5-(4-Acetoxybut-1-ynyl)-2,2^-bithiophene	1.5228	0.0000	1.1635
5^^-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-D-xylopyranoside	2.2499	0.0001	0.0001
5,6-Dichloro-1,3-cyclohexadiene	0.6930	0.0000	2.4912
5,7,3^,4^-Tetrahydroxy-3,6,5^-trimethoxyflavone	2.2496	0.0003	0.0003
5,7,8-Trihydroxy-3,6,4^-trimethoxy-flavone 8-isovalerate	1.1158	1.0987	0.7160
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S	0.9954	1.0211	0.9863
5a-Cholestane-3a,7a,12a,25-tetrol	2.2499	0.0000	0.0000
5a-Cholestane-3a,7a,12a,25-tetrol Esi-19.3675	0.0000	1.7703	1.8296
5a-Dihydrotestosterone sulfate	1.1721	0.8292	0.8956
5a-Dihydrotestosterone sulfate Esi-13.40978	1.0056	1.1346	0.8565
5b-Cholestane-3a,7a,12a,24,25-pentol	2.2498	0.0001	0.0001
5b-Cholestane-3a,7a,12a,24,25-pentol Esi-19.362	2.2498	0.0002	0.0002
5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione	2.2499	0.0001	0.0001
5beta-Chola-3,11-dien-24-oic Acid	0.0000	0.0000	3.5999
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate	0.7905	1.1470	1.1882
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-10.625	2.2498	0.0002	0.0002
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate Esi-11.439357	0.7102	1.2570	1.2067
5beta-scymnol sulfate	2.2496	0.0003	0.0003
5-bromo-3-cyclohexyl-2-hydroxybenzamide	1.1873	1.1205	0.5798
5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one; R 29676	2.2499	0.0001	0.0001
5?-Cholanic acid-3?, 12?-diol N-(2-sulphoethyl)-amide	1.0623	1.1614	0.7390
5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-2-pyridinyl)methyl]thio]-1H-benzimidazole	2.2499	0.0001	0.0001
5-Fluorodeoxyuridine monophosphate	2.2499	0.0001	0.0001
5-Heptynoic acid, 7-bromo-; 7-Bromo-5-heptynoic acid	0.8281	2.2751	0.0000
5-Hydroxy-3,3^,7,8-tetramethoxy-4^,5^-methylenedioxyflavone	1.4950	0.5319	0.6761
5-Hydroxybuspirone	0.9156	1.1206	1.0145
5-Hydroxymethyldeoxycytidylate	2.2496	0.0003	0.0003
5-Hydroxypropafenone	0.5864	1.0919	1.5699
5-Hydroxysulfapyridine	1.1346	0.0000	1.7846
5-Hydroxythiabendazole	1.1504	0.7083	1.0511
5-Methylthiopentanaldoxime	1.0208	1.1068	0.8600
5-O-?-D-Mycaminosyltylactone	0.6614	1.1667	1.3751
5-Pentacosyl-1,3-benzenediol	1.5292	0.0001	1.1532
5(S),6(R)-DiHETE	0.0000	0.0000	3.6000
5-Tricosyl-1,3-benzenediol	0.8053	0.9934	1.3182
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol	0.0001	0.0001	3.5997
6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside	0.0001	1.8123	1.7876
6-(2-Chloroallylthio)purine	0.0000	0.0000	3.5999
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ^^2b^^ aglycone	0.0004	0.0004	3.5989
6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol	0.0003	3.5991	0.0003
6-Bromo-5E,9Z,13Z-docosatrienoic acid	2.2500	0.0000	0.0000
6-Chloroapigenin	0.0000	3.5999	0.0000
6-Cyano-7-nitroquinoxaline-2,3-dione	2.2499	0.0001	0.0001
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C	0.0001	0.0001	3.5998
6^^^-Deamino-6^^^-dehydro-6^^^-oxoneomycin C Esi-13.725	2.2500	0.0000	0.0000
6^^^-Deamino-6^^^-hydroxyneomycin C	0.9311	1.0367	1.0736
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.429496	1.0446	1.0741	0.8545
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-13.670749	0.8822	2.1885	0.0000
6^^^-Deamino-6^^^-hydroxyneomycin C Esi-14.769	2.2497	0.0002	0.0002
6^-Dehydro-6^-oxoparomamine	0.7090	0.0000	2.4656
6-Desmethylprazosin	0.0001	1.4876	2.1122
6-(Dibromomethylene)-17beta-hydroxyandrost-4-en-3-one	2.2500	0.0000	0.0000
6-HydroxyKetanserinol	1.2050	0.8330	0.8389
6-HydroxyKetanserinol Esi-5.773736	1.1075	1.8279	0.0001
6-HydroxyKetanserinol Esi-5.9623346	1.0080	0.8706	1.1166
6-Hydroxyondansetron glucuronide	2.2497	0.0003	0.0003
6-Hydroxysandoricin	0.0000	1.8174	1.7826
6-Methoxy-3-(2-thiazolyl)-1H-indole	0.0000	0.0000	3.5999
6-Methoxy-3-(2-thiazolyl)-1H-indole Esi-0.81799996	0.0001	3.5997	0.0001
6-methoxy Naphthalene Acetic Acid	1.4347	0.0000	1.3045
6?-Methylprednisolone Acetate	1.5807	0.0000	1.0708
6-Methylthiohexanaldoxime	1.0656	0.8927	1.0024
6-O-Methylarmillaridin	0.5973	1.1456	1.4986
6-O-Methylguanine	0.0000	3.5999	0.0000
6-O-Oleuropeoylsucrose	1.6925	0.4665	0.4255
6-Oxo-2-hydroxy-7-(4^-chlorophenyl)-3,8,8,8-tetrachloroocta-2E,4E-dienoate	0.0000	0.0000	3.5999
7,12-Dimethylbenz[a]anthracene 5,6-oxide	1.1829	0.0000	1.7073
7,8,7^,8^-Tetradehydroastaxanthin	0.6450	2.2222	0.3458
7,8,7^,8^-Tetradehydroastaxanthin Esi-17.003	2.2500	0.0000	0.0000
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C	0.0000	3.5999	0.0000
7-bromo-5-heptynoic acid	2.2500	0.0000	0.0000
7-Epiloganin tetraacetate	1.3598	1.4243	0.0000
7-Hydroxybenzo[a]pyrene	0.9178	0.9312	1.2003
7-Hydroxylevomepromazine	0.0000	3.5999	0.0000
7-Hydroxylevomepromazine Esi-18.838	2.2499	0.0001	0.0001
7-Hydroxyriluzole	2.1391	0.0000	0.1774
7-Hydroxyriluzole Esi-0.95457155	2.2500	0.0000	0.0000
7-Oxociguatoxin	0.0000	3.5999	0.0000
(7^R,8^R)-4,7^-Epoxy-3^-methoxy-4^,5,9,9^-lignanetetrol 9^-glucoside	1.7748	0.0000	0.7602
7R-hydroxy-hexadecanoic acid	2.2500	0.0000	0.0000
7?-(Thiomethyl)spironolactone	0.8167	1.2702	1.0231
7?-(Thiomethyl)spironolactone Esi-19.928175	0.0000	1.7505	1.8495
7?-(Thiomethyl)spironolactone sulfone	0.0000	0.0000	3.5999
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene	1.0325	0.9204	1.0276
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene Esi-11.457001	1.0352	0.0003	1.9434
8-Chloro-2,7-dibenzofurandiol	1.5493	1.1210	0.0000
8-HETE	2.2366	0.0215	0.0000
8-HpODE	0.8553	1.1759	1.0556
8?-Hydroxycarapin, 3,8-Hemiacetal	2.2500	0.0000	0.0000
8-Hydroxyluteolin 7-[6^^^-acethylallosyl-(1-2)-3^^-acetylglucoside]	2.2499	0.0001	0.0001
8-Hydroxypurine	0.0001	0.0001	3.5996
8-oxo-dGDP	2.2498	0.0001	0.0001
8-Prenylafzelechin 5-methyl ether	0.9845	1.0362	0.9885
8-Prenylafzelechin 5-methyl ether Esi-19.126862	1.0965	1.0082	0.8375
8-Prenylafzelechin 5-methyl ether Esi-23.754	0.0000	0.0000	3.6000
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside]	2.2500	0.0000	0.0000
8-Prenylkaempferol 3-rhamnosyl-(1-3)-[apiosyl-(1-6)-glucoside] Esi-14.374623	0.7863	1.4104	0.9316
8-Prenylkaempferol 4^-methyl ether 3-[4^^^-,6^^^-diacetylglucosyl-(1-3)-4^^-acetylrhamnoside]	2.2496	0.0003	0.0003
8-Prenylquercetin 7,4^-dimethyl ether 3-rhamnosyl-(1-4)-rhamnoside	2.2500	0.0000	0.0000
8-Propyloxycaffeine	0.5503	1.8018	0.9176
8R,9S-cis-epoxy-10S-hydroxy-eicosa-11Z,14Z-dienoic acid.	1.1887	1.6980	0.0000
9,10-dibromo-stearic acid	2.2499	0.0001	0.0001
9,11-methane-epoxy PGF1?	0.7842	2.3452	0.0000
9,12-dimethoxy-13-hydroxy-10-octadecenoic acid	0.0001	0.0001	3.5998
9-Aminocamptothecin	0.0007	0.0007	3.5982
9-Anthroic acid	2.2500	0.0000	0.0000
(?9-HpODE	0.0000	0.0000	3.6000
9-Hydroxy-2,6-dichlorodibenzofuran	0.9614	1.0966	0.9652
9-Methoxy-alpha-lapachone	0.0001	0.0001	3.5997
9-Methyl-7-bromoeudistomin D	2.2499	0.0001	0.0001
9-Methylxanthine	0.0001	0.0001	3.5997
9-Nitroanthracene	0.9877	0.8667	1.1529
9-O-Demethyl-2alpha-hydroxyhomolycorine	0.0000	0.0000	3.6000
9-O-Demethyl-2alpha-hydroxyhomolycorine Esi-14.196001	0.0001	3.5998	0.0001
9R-hydroxy-12E-octadecenoic acid	0.6877	1.2283	1.2714
9R-hydroxy-12E-octadecenoic acid Esi-15.234078	0.5881	1.2159	1.4431
9Z,11Z-Tetradecadienyl acetate	0.0004	0.0004	3.5991
A 922500	1.2699	0.8064	0.7617
AB005	2.2500	0.0000	0.0000
AB005 Esi-18.463	2.2498	0.0001	0.0001
Abu-His-OH	1.4165	0.0000	1.3336
(Ac)2-L-Lys-D-Ala-D-Ala	0.0001	0.0001	3.5997
(Ac)2-L-Lys-D-Ala-D-Ala Esi-14.157999	0.0002	0.0002	3.5996
Acarbose (component 2)	0.0000	0.0000	3.5999
Acetic anhydride	0.8982	1.0195	1.1433
Acetic anhydride Esi-0.8806667	0.0000	1.7825	1.8175
Acetylsoyasaponin A3	1.1579	1.7474	0.0000
Acetylsoyasaponin A3 Esi-15.020002	2.2500	0.0000	0.0000
Acidissiminol	2.2500	0.0000	0.0000
Acifluorfen	0.7796	0.0000	2.3526
Aconine	1.0696	0.9508	0.9379
Acotiamide	1.1956	0.8449	0.8421
ACS 67	2.2499	0.0001	0.0001
Aculeacin A	1.4459	0.0000	1.2865
Aculeacin A Esi-14.0290365	0.7173	1.4436	1.0088
Acutoside B	2.2500	0.0000	0.0000
Acutoside C	0.0000	0.0000	3.6000
Acyclovir (8-hydroxy-9-(2-hydroxythoxymethyl)guanine	2.2499	0.0001	0.0001
Adenosine 2^,5^-bisphosphate	0.0000	2.5051	1.0949
Adiantifoline	2.2499	0.0001	0.0001
AG-183	1.0178	0.8614	1.1102
AG-99	0.8067	1.0997	1.2096
AL 6598	2.2499	0.0001	0.0001
Ala Ala Asp	0.7629	1.4944	0.8850
Ala Glu Trp	2.2500	0.0000	0.0000
Ala Glu Trp Esi-18.232277	0.4058	0.6632	2.2874
Ala His Lys	1.2187	1.6500	0.0000
Ala Lys His	0.0000	0.0000	3.6000
Ala Lys Ser	0.0004	0.0004	3.5990
Alamarine	1.9160	0.5343	0.0000
Alanyl-Glycine	0.9206	1.6357	0.4913
a-L-Arabinofuranosyl-(1-3)-[a-L-arabinofuranosyl-(1r5)]-L-arabinose	2.2500	0.0000	0.0000
Albafuran B	1.1840	1.7056	0.0000
Aldoifosfamide	1.1304	1.7913	0.0000
Alhagidin	2.2500	0.0000	0.0000
Aliskiren	2.2500	0.0000	0.0000
all-trans-Carophyll yellow	2.2499	0.0001	0.0001
all-trans-heptaprenyl diphosphate	0.0001	0.0001	3.5999
all-trans-hexaprenyl diphosphate	0.0001	0.0001	3.5997
alNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0)	1.1512	0.9623	0.7957
(+/-)-alpha-Hydroxyisovaleric acid	0.9673	0.8810	1.1714
(+/-)-alpha-Hydroxyisovaleric acid Esi-1.936	2.2500	0.0000	0.0000
alpha-kamlolenic acid	0.0002	0.0002	3.5994
alpha-kamlolenic acid Esi-15.540627	0.9070	2.1488	0.0000
Alteichin	0.8835	1.0908	1.0957
Aluminum acetate	2.2500	0.0000	0.0000
Aluminum acetate Esi-5.152	0.0000	3.6000	0.0000
AM2232	1.5110	1.1823	0.0001
AM251	2.2497	0.0002	0.0002
Amarogentin	0.0002	0.0002	3.5994
Amastatin	1.0630	1.8992	0.0000
Amataine	0.6827	0.0000	2.5076
Ambrettolic acid	2.2496	0.0003	0.0003
Amidosulfuron	0.6828	1.4581	1.0495
amifloxacin	1.1899	0.7080	0.9883
Aminocaproic acid	1.3649	0.0000	1.4162
Aminofurantoin	0.7657	2.3746	0.0002
Amlodipine	1.1192	1.0249	0.7844
Ammodendrine	0.0002	3.5995	0.0002
Amorphigenol O-vicianoside	0.6117	1.2853	1.3360
Amphibine A	2.2499	0.0000	0.0000
Amphibine H	0.7033	1.5019	0.9727
Amphibine H Esi-15.1	2.2499	0.0001	0.0001
Androsterone glucuronide	0.0001	3.5997	0.0001
Androsterone glucuronide Esi-10.629364	1.2398	0.0001	1.6162
Androsterone sulfate	1.0137	1.0090	0.9691
Angustibalin	0.0006	0.0006	3.5984
Angustine	1.0084	0.7135	1.2731
Anhwiedelphinine	0.0000	0.8624	2.7376
Anhydroicaritin 3-(6^^^-acetylgalactosyl)(1-3)-rhamnoside-7-glucoside	2.2499	0.0000	0.0000
Anigorootin	2.2499	0.0000	0.0000
Antillatoxin B (red color)	2.2500	0.0000	0.0000
Antillatoxin B (red color) Esi-14.678	2.2500	0.0000	0.0000
Antillatoxin B (red color) Esi-15.468799	2.2500	0.0000	0.0000
Apigenin 7-(6^^-crotonylglucoside)	0.0005	0.0005	3.5987
Apovincamine	2.2496	0.0003	0.0003
Aprobarbital	2.2500	0.0000	0.0000
Arachidic acid(d3)	1.2374	0.0002	1.6200
Arachidonoyl Glycine-d8	1.1194	0.8445	0.9644
Arachidonoyl Glycine-d8 Esi-19.228	2.2498	0.0001	0.0001
Arachidonoyl Glycine-d8 Esi-19.229002	2.2499	0.0001	0.0001
Arachidonoyl Glycine-d8 Esi-19.351	2.2499	0.0000	0.0000
Aragusteroketal	0.0000	2.4403	1.1596
Araloside S1	1.1619	0.0000	1.7410
Araloside S1 Esi-15.079001	0.0000	3.5999	0.0000
Argenteane	1.1274	1.3131	0.4830
Argentine	0.4236	1.4232	1.4991
Arg Gln Pro	0.4606	0.9296	1.9334
Arg Glu Pro	0.8801	1.0873	1.1047
Arg Gly Cys	0.9060	1.1136	1.0368
Arg His Val	0.0006	0.0006	3.5985
Argininic acid	0.0000	3.6000	0.0000
Argiopinin III	2.2499	0.0000	0.0000
Arg Met Glu	0.5179	1.4172	1.3541
Arg Met Pro	1.6042	0.5518	0.4814
Arg Phe Phe	2.2499	0.0001	0.0001
Arg Phe Pro	1.0067	0.9111	1.0782
Arg Pro Phe	0.5461	1.3079	1.4183
Arg Trp Phe	1.1696	0.0000	1.7286
Arg Trp Phe Esi-13.224999	2.2499	0.0001	0.0001
Arg Tyr Arg	2.2497	0.0003	0.0003
Arg Tyr Arg Esi-11.43104	0.8111	1.1189	1.1833
Arg Tyr Arg Esi-15.564	0.0001	0.0001	3.5996
Arg Tyr Phe	0.0001	0.0001	3.5998
Armillarivin	1.7719	0.4199	0.3452
Armillatin	0.0001	3.5998	0.0001
Arnamiol	0.0008	0.0008	3.5979
Aromatized deshydroxy-C-1027 chromophore	2.2499	0.0000	0.0000
Artocommunol CA	2.2498	0.0001	0.0001
Artonin B	0.0001	0.0001	3.5998
Artonin B Esi-15.222	0.0001	0.0001	3.5998
Artonin C	0.0000	0.0000	3.5999
AS-1269574	2.2500	0.0000	0.0000
(-)-Asbestinine 2	0.5292	1.6641	1.0892
Ascorbate 2-sulfate	1.2269	1.6370	0.0000
Ascorbyl stearate	0.9159	0.0000	2.1345
Asn Asn His	0.3376	1.4747	1.5851
Asn Asp Cys	2.2499	0.0001	0.0001
Asn Asp Cys Esi-1.274	0.0003	0.0003	3.5993
Asn Leu Tyr	0.0001	0.0001	3.5997
Asn Trp Gln	0.6962	1.4168	1.0693
Asn-Trp-OH	0.0000	0.0000	3.5999
Asparagoside B	0.0000	0.0000	3.6000
Asparenomycin A	0.4447	1.4416	1.4469
Asp Asn Asn	0.7312	1.1940	1.2361
Asp Asn Asn Esi-13.780001	0.0000	0.0000	3.6000
Aspecioside	1.0254	1.1486	0.8108
Aspecioside Esi-24.107	2.2500	0.0000	0.0000
Asp Glu Ala	0.0000	3.5999	0.0000
Asp Glu Glu	0.0003	0.0003	3.5992
Asp-His-OH	1.0724	1.0207	0.8635
Asp-HoPhe-OH	1.0283	0.9640	0.9908
Asp-Met-OH	0.8524	1.1982	1.0380
Asp Phe Trp	2.2494	0.0005	0.0005
Asp Tyr Cys	1.2168	0.7280	0.9252
Asp Tyr Gln	2.0073	0.3883	0.0000
Asp Tyr Gln Esi-19.117998	0.0000	0.0000	3.6000
Asp-Tyr-OH	0.8619	0.0000	2.2210
Asp Val Lys	2.2500	0.0000	0.0000
Assamsaponin B	0.6389	1.5281	1.0497
Assamsaponin B Esi-14.01	0.0001	0.0001	3.5998
Asterlingulatoside D	1.0071	1.3798	0.6088
Asterlingulatoside D Esi-14.568447	1.0661	0.5925	1.3018
Asterlingulatoside D Esi-14.979998	0.0000	0.0000	3.5999
Asukamycin	0.0002	0.0002	3.5995
(+)-Atherospermoline	0.9492	0.7945	1.2868
Athidathion	0.8701	1.2921	0.9158
Atorvastatin	1.1982	0.0001	1.6828
Atorvastatin Metabolite(meta)	0.0001	0.0001	3.5998
Austalide I	2.2495	0.0004	0.0004
Austalide K	1.5062	0.9673	0.2228
Austalide K Esi-15.217778	1.3605	0.0000	1.4232
Austalide K Esi-21.41584	1.5961	1.0463	0.0000
Austalide K Esi-23.763	0.0000	0.0000	3.5999
Avadharidine	1.5673	1.0923	0.0000
Avadharidine Esi-15.600999	0.0000	0.0000	3.5999
Avermectin A2a aglycone	0.0000	3.6000	0.0000
Avocadene acetate	0.7375	1.1820	1.2380
Avocadene acetate Esi-18.514	2.2499	0.0001	0.0001
Avocadene acetate Esi-19.501625	0.7351	0.0000	2.4238
Azaconazole	0.4080	0.0000	2.9472
Azafenidin	0.3782	1.8157	1.1791
Azimsulfuron	2.2500	0.0000	0.0000
Azimsulfuron Esi-20.36	2.2499	0.0001	0.0001
AzIV	2.2499	0.0001	0.0001
Azoxystrobin	2.2500	0.0000	0.0000
Aztreonam	0.0001	3.5997	0.0001
B-(4-Fluorobenzoyl)propionic acid	0.7273	1.5463	0.8899
Bacampicillin	1.8281	0.3496	0.3254
bacteriohopane-32,33,34,35-tetrol	0.0000	3.6000	0.0000
bacteriohopane-32,33,34,35-tetrol Esi-21.027	0.0002	0.0002	3.5996
bacteriohopane-32,33-diol-34,35-dicarbamate	1.2733	0.7231	0.8397
Bacteriorubixanthinal	2.2500	0.0000	0.0000
Balagyptin	2.2500	0.0000	0.0000
Balagyptin Esi-11.428	2.2499	0.0001	0.0001
Balanitesin	0.8165	1.1902	1.1034
Baliospermin	2.2500	0.0000	0.0000
Baptifoline	0.4794	1.7194	1.1135
Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-	1.0954	0.7685	1.0788
Basellasaponin B	2.2500	0.0000	0.0000
Batrachotoxin	2.2500	0.0000	0.0000
bayogenin	2.2499	0.0001	0.0001
BAY-u3405	0.0002	0.0002	3.5996
b-D-Glucopyranosiduronic acid, 3-(6-methoxy-2-naphthalenyl)-1-methylpropyl	0.0000	1.8041	1.7959
Beiwutine	1.1602	0.9161	0.8276
Beiwutine Esi-13.659631	0.0000	2.0011	1.5988
Beiwutine Esi-14.034541	1.0205	1.0277	0.9395
Beiwutine Esi-14.055	2.2500	0.0000	0.0000
Beiwutine Esi-14.235663	0.7310	1.5470	0.8834
Beiwutine Esi-15.477	0.8916	1.1350	1.0384
Belladonnine	1.1384	0.9337	0.8449
Benazeprilat	1.6016	0.0000	1.0374
Benfuresate	0.0002	0.0002	3.5994
Benoxinate	0.9196	0.0000	2.1286
Benperidol	2.2500	0.0000	0.0000
Bensultap	2.2500	0.0000	0.0000
Benzanthrone	1.5873	0.5129	0.5475
Benzanthrone Esi-1.2634615	2.0164	0.3737	0.0000
Benzanthrone Esi-3.2669997	1.6442	0.9692	0.0000
Benzenepropanenitrile	0.0003	0.0003	3.5993
Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate	2.2496	0.0003	0.0003
Benzotrichloride	2.2500	0.0000	0.0000
Benzotrichloride Esi-1.2819998	0.0000	0.0000	3.5999
Benzotrichloride Esi-1.3895001	1.3098	1.5043	0.0000
Benzyl beta-primeveroside	2.2500	0.0000	0.0000
Benzyl sulfate	0.9948	0.9992	1.0091
Bestatin	2.2500	0.0000	0.0000
beta-Zearalanol	1.1304	0.0001	1.7913
BIBB 515	2.2500	0.0000	0.0000
BIBF 1120	2.2499	0.0000	0.0000
BIBF 1120 Esi-13.157214	0.3373	1.7314	1.3289
Bicuculline (+)	0.8780	1.1777	1.0174
Bifemelane (M5)	1.5381	0.0000	1.1390
Bifemelane (M5) Esi-8.831946	0.9685	0.0000	2.0503
Bifemelane (M5) Esi-8.8342	1.0483	1.9226	0.0001
Bilirubin-glucuronoside	2.2499	0.0001	0.0001
Biocytin	2.2500	0.0000	0.0000
Biotin-X-NHS	0.0000	0.0000	3.6000
Bisacodyl diphenol glucuronide	0.0002	0.0002	3.5995
Bis-gamma-glutamylcysteinylbis-beta-alanine	0.0000	3.5999	0.0000
Bisindolylmaleimide I	0.0000	3.5999	0.0000
Bisindolylmaleimide IV	0.0001	3.5998	0.0001
Bisindolylmaleimide IV Esi-9.834455	0.0001	2.2993	1.3006
Bismurrayafoline E	2.2500	0.0000	0.0000
Bismurrayafoline E Esi-15.327252	2.2500	0.0000	0.0000
Bispyribac	0.4417	2.8932	0.0000
Bispyribac Esi-1.513	2.2498	0.0001	0.0001
BIX01294	0.5192	1.2542	1.5151
Bluensidine	0.0000	1.9654	1.6346
Bluensidine 6-phosphate	1.9950	0.4081	0.0000
Bluensomycin	0.6500	2.5599	0.0000
Blumenol C O-[rhamnosyl-(1-6)-glucoside]	2.2499	0.0001	0.0001
BM 567	0.0000	1.7366	1.8634
Boc-Phe(NMe)-Gly-OMe	2.2495	0.0004	0.0004
Bopindolol	0.9751	0.9794	1.0605
Borrelidin	0.0000	3.5999	0.0000
Botrydial	0.9121	1.0405	1.1001
Botrydial Esi-14.114	2.2500	0.0000	0.0000
Brianthein X	2.2499	0.0001	0.0001
BRL 32872	0.8929	1.1349	1.0364
BRL 32872 Esi-13.780859	0.0000	2.4005	1.1995
Bromhexine	1.0699	0.0000	1.8882
Bromocriptine	2.2500	0.0000	0.0000
Bromoenol lactone	1.0415	0.0000	1.9336
Brompheniramine (monodemethylated)	2.2499	0.0000	0.0000
Brompheniramine (monodemethylated) Esi-0.844	0.0001	0.0001	3.5997
Bucladesine	2.0580	0.3072	0.0000
Budesonide	0.0001	3.5999	0.0001
Bufotalin	2.2497	0.0002	0.0002
Buserelin	1.0209	0.0000	1.9665
Butanoic acid, 3-bromo-, (S)-; (S)-(+)-3-Bromobutanoic acid; (S)-(+)-3-Bromobutyric acid	0.0001	0.0001	3.5998
butoxyacetic acid	1.0517	0.9018	1.0155
Butyl 3-O-beta-D-glucopyranosyl-butanoate	0.8308	0.0000	2.2706
Butyl 3-O-caffeoylquinate	0.0000	3.6000	0.0000
Butyl ethyl malonate	1.0841	0.0000	1.8654
Butyl oleate sulfate	1.4941	1.2095	0.0000
BW 723C86	2.2498	0.0002	0.0002
BW 723C86 Esi-5.992	0.0003	0.0003	3.5993
C14:1n-9	0.0002	3.5996	0.0002
C20:4n-2,6,9,12	0.0001	0.0001	3.5998
C22-OH Sulfatide	0.0000	3.6000	0.0000
C22 Sulfatide	2.2499	0.0001	0.0001
C-6 Ceramide	1.2945	0.0001	1.5286
C-6 NBD Ceramide	1.1276	0.9905	0.8054
C-6 NBD Ceramide Esi-16.093637	2.2500	0.0000	0.0000
Cafenstrole	0.9869	1.0896	0.9314
Caffeoyl aspartic acid	2.2499	0.0001	0.0001
Caffeoyl aspartic acid Esi-7.343	0.0002	0.0002	3.5995
Calcimycin	0.9849	1.0691	0.9550
Calcimycin Esi-14.084	0.0000	3.6000	0.0000
Calpeptin	0.9629	1.0121	1.0473
Calpeptin Esi-11.030671	1.0288	1.0467	0.9072
Calpeptin Esi-13.490726	0.9750	1.0258	1.0142
Camelliasaponin C1	0.8882	2.1789	0.0000
Campesteryl ferulate	2.2499	0.0001	0.0001
Candesartan Cilextil	0.0003	0.0003	3.5993
Cannabipiperidiethanone	0.8901	2.1758	0.0000
Cappariloside B	1.6747	0.4556	0.4648
Cappariloside B Esi-18.390999	1.2307	0.7058	0.9251
Capsianoside II	0.9363	2.1020	0.0000
Capsicosin	0.4642	0.0000	2.8573
Carapanaubine	2.2496	0.0004	0.0004
Carbaprostacyclin-biotin	1.1413	1.7739	0.0000
Caribbean ciguatoxin 1	1.6414	0.0000	0.9737
Carindacillin	2.2500	0.0000	0.0000
Carmamycin A	0.8586	1.2241	1.0021
Carmamycin A Esi-11.415	0.0000	3.5999	0.0000
Carmamycin A Esi-9.157391	0.9744	1.1663	0.8746
Carmamycin A Esi-9.452	0.0000	3.6000	0.0000
Carmamycin B	0.9459	0.9830	1.1035
Carphenazine	0.9189	2.1297	0.0001
Cartilagineal	1.0279	0.9616	0.9937
Cartormin	2.2500	0.0000	0.0000
Carvedilol	2.2500	0.0000	0.0000
Cascarillin	2.2498	0.0001	0.0001
Casimiroin	1.0829	1.0038	0.8635
Caspofungin	1.0867	0.9426	0.9187
Cassiaside B2	0.0002	3.5995	0.0002
CAY10404	1.2245	0.0000	1.6407
CAY10441	2.2500	0.0000	0.0000
CAY10448	2.2492	0.0006	0.0006
CAY10470	0.0000	3.6000	0.0000
CAY10470 Esi-18.841997	2.2499	0.0001	0.0001
CAY10500	0.0003	3.5993	0.0003
CAY10575	1.3409	0.0000	1.4545
CAY10598	0.5581	0.0000	2.7070
CAY10598 Esi-17.291996	0.9088	2.1460	0.0000
CAY10598 Esi-17.807	0.0000	3.5999	0.0000
CAY10608	0.0001	0.0001	3.5997
CAY10608 Esi-1.5159999	0.0003	3.5993	0.0003
CAY10633	1.0857	1.8629	0.0000
CB3717	2.2499	0.0001	0.0001
CDP-DG(18:0/22:3(10Z,13Z,16Z))	2.2500	0.0000	0.0000
Ceanothine E	0.7495	2.4008	0.0000
Cedrol	0.0021	0.0021	3.5946
Ceftriaxone	2.2500	0.0000	0.0000
Cephalexin	1.5175	1.1720	0.0000
Cephalexin Esi-6.09	0.0001	0.0001	3.5998
Ceranib-2	2.2500	0.0000	0.0000
Ceranib-2 Esi-16.965996	1.1392	0.8084	0.9688
Cerberin	1.2903	1.5356	0.0000
Cerberin Esi-11.905999	1.3165	0.0000	1.4936
Cer(d15:1/24:0)	0.5336	1.4232	1.3231
Cer(d15:1/24:0) Esi-23.756	2.2497	0.0003	0.0003
Cer(d16:2(4E,6E)/18:0)	1.2412	1.6140	0.0000
Cer(d16:2(4E,6E)/20:0)	1.0140	1.9775	0.0001
Cer(d16:2(4E,6E)/20:1(11Z))	2.2499	0.0001	0.0001
Cer(d18:0/16:0)	0.5745	1.2840	1.3968
Cer(d18:0/16:0(2OH))	1.3917	1.3732	0.0000
Cer(d18:1/24:1(15Z)) Esi-23.768	2.2499	0.0001	0.0001
Cer(t20:0/20:0)	0.7702	1.0508	1.3169
CGP72383	1.0926	0.9064	0.9455
Chalcomycin	0.0001	0.0001	3.5997
Chatenaytrienin 2	1.0064	1.9898	0.0000
Chatenaytrienin 2 Esi-23.705	0.0000	3.6000	0.0000
Chivosazole D	1.0457	0.9430	0.9839
Chivosazole F	0.0000	0.0000	3.6000
Chloraniformethan	0.0001	3.5998	0.0001
Chlorhexidine	0.0001	3.5998	0.0001
Chloromarmin	0.5181	1.2360	1.5352
Chloroneb	0.0000	3.5999	0.0000
Chlorophacinone	1.0490	1.0465	0.8750
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside	1.5321	0.0000	1.1487
cholest-5,24-dien-3beta-ol 3-O-beta-D-glucopyranoside Esi-20.863995	0.7818	1.3347	1.0144
Cholestane-3,7,12,25-tetrol-3-glucuronide	1.3202	0.7822	0.7056
cholesterol sulfate	0.7335	1.3730	1.0534
cholesterol sulfate Esi-23.72	0.0000	0.0000	3.6000
Cholic acid glucuronide	2.2500	0.0000	0.0000
Cholic acid glucuronide Esi-13.988553	0.9380	1.0949	1.0042
Cholic acid glucuronide Esi-14.196339	1.0336	1.0130	0.9332
Cholic acid glucuronide Esi-14.197	2.2500	0.0000	0.0000
Chrysosplenol F	2.2494	0.0004	0.0004
Ciglitazone	0.9851	1.0881	0.9358
Cimetidine	2.2499	0.0001	0.0001
Cinegalline	0.6235	1.3905	1.2119
Cinnamic acid	0.0000	0.0000	3.5999
Cinnavalininate	0.0001	3.5996	0.0001
Cinnzeylanol	0.0001	0.0001	3.5997
Ciprofibrate	0.8022	0.0000	2.3165
cis-2,3-Dihydro-2,3-dihydroxy-4^-chlorobiphenyl	0.0003	3.5993	0.0003
cis-4-Hydroxyequol	1.0632	0.9048	0.9940
cis-4-Hydroxyequol Esi-5.9713416	1.1680	0.7195	1.0117
Citalopram aldehyde	0.9698	0.0001	2.0482
Citalopram-N-Oxide	2.2499	0.0001	0.0001
Citbismine D	2.2500	0.0000	0.0000
Citiolone	0.0001	0.0001	3.5996
Citreovirenone	1.1107	1.8228	0.0001
CL(1^-[15:0/15:0],3^-[15:0/16:1(9Z)])[rac]	2.2499	0.0001	0.0001
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))	0.0001	3.5998	0.0001
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))	2.2499	0.0001	0.0001
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) Esi-14.614999	0.0001	3.5998	0.0001
Clofarabine	0.0001	3.5998	0.0001
Clomipramine	2.2500	0.0000	0.0000
Clo?sone butyrate	0.8891	0.6100	1.5675
Clovamide	1.1684	0.0000	1.7305
Coelichelin	0.0000	0.0000	3.5999
Coelichelin Esi-13.951	0.0001	3.5998	0.0001
Coenzyme F430	1.6296	0.9927	0.0000
Cohibin B	2.2500	0.0000	0.0000
Cohibin B Esi-20.1962	0.2394	1.6204	1.5965
Cohibin B Esi-20.35612	1.0101	1.2532	0.7307
Congmunoside X	2.2500	0.0000	0.0000
Congmunoside X Esi-14.336399	0.5921	1.3132	1.3393
Convicine	1.0056	1.0847	0.9063
Coproporphyrinogen I	2.2500	0.0000	0.0000
Corchoionoside B	1.0633	0.9757	0.9230
Corchorosol A	0.9545	1.1113	0.9615
Cortisol	2.2499	0.0000	0.0000
cortisol 21-sulfate	0.0012	0.0012	3.5968
Cortisone	2.2500	0.0000	0.0000
Corynoline	1.5708	1.0867	0.0000
CP 80633	2.2498	0.0002	0.0002
CPA(18:0)	0.4600	1.4027	1.4612
Crimidine	1.1461	0.8824	0.8838
Crimidine Esi-5.6406093	1.0931	0.8429	1.0081
CUDA	2.2499	0.0001	0.0001
Cuneatin Methyl Ether	1.0903	0.8648	0.9907
Curcumin diglucoside	1.1299	0.4766	1.3155
Curcumin diglucoside Esi-15.101372	0.5267	1.3220	1.4352
Cyanophos	0.0004	3.5991	0.0004
Cybutryne	0.8159	1.0988	1.1958
Cybutryne Esi-11.947	0.0000	0.0000	3.5999
Cybutryne Esi-9.505	1.4670	0.0001	1.2527
Cyclo-Ala-Pro diketopiperazine	1.0663	0.8734	1.0205
Cyclobuxine D	0.0000	1.4884	2.1116
Cyclobuxine D Esi-19.101	2.2500	0.0000	0.0000
Cyclocalopin D	2.2500	0.0000	0.0000
Cyclocalopin D Esi-9.411	2.2497	0.0003	0.0003
Cycloheximide	0.8679	2.2113	0.0000
Cycloheximide Esi-14.100669	0.7403	1.1752	1.2404
Cyclopassifloside II	1.4495	0.6510	0.6298
Cyclosporin A	2.2500	0.0000	0.0000
Cyclothiazide	2.2498	0.0001	0.0001
Cyenopyrafen	0.0000	0.0000	3.5999
Cyflufenamid	1.1384	1.0372	0.7414
Cyflufenamid Esi-3.2620006	2.2499	0.0000	0.0000
Cyflumetofen	2.2499	0.0000	0.0000
Cynarasaponin F	2.2499	0.0000	0.0000
Cynarasaponin F Esi-9.563	2.2498	0.0002	0.0002
Cynometrine	2.2499	0.0001	0.0001
Cys Arg Phe	2.2499	0.0001	0.0001
Cys Asn Thr	0.9996	1.2438	0.7569
Cys Asn Thr Esi-0.79099995	0.0000	3.5999	0.0000
Cys Cys Thr	1.2739	0.0001	1.5617
Cys Lys Glu	1.4554	1.2714	0.0000
Cys Lys Glu Esi-17.469164	1.1762	0.7103	1.0077
Cysteine-S-sulfate	0.9798	0.8963	1.1360
Cys Tyr Phe	2.2499	0.0001	0.0001
Cytochalasin Npho	0.9728	0.8864	1.1571
Cytochalasin Npho Esi-13.2610855	0.8579	1.3451	0.8823
Cytochalasin Npho Esi-13.328263	1.3830	0.0000	1.3873
Cytochalasin Npho Esi-13.509003	1.1773	1.7163	0.0000
Cytochalasin Npho Esi-13.511332	1.0110	0.9348	1.0476
Cytochalasin Npho Esi-16.313536	1.5493	1.1211	0.0000
Cytochalasin Npho Esi-16.317	2.2500	0.0000	0.0000
Cytosine	0.8632	1.0110	1.2079
Cytosine Esi-21.03491	1.4418	0.0001	1.2931
D-2-Aminobutyric acid	0.0000	0.0000	3.6000
Dabigatran etexilate	0.0000	3.5999	0.0000
Dacthal	0.6122	1.7011	0.9193
Dalfopristin	2.2500	0.0000	0.0000
DAT(19:0/23:0(2Me[S],3OH[S],4Me[S],6Me[S]))	2.2500	0.0000	0.0000
Daucic acid	1.4795	0.0000	1.2328
Daucic acid Esi-0.783	1.7076	0.0000	0.8678
Daucic acid Esi-0.78700006	2.2499	0.0000	0.0000
D-Camphorsulfonate	2.2498	0.0001	0.0001
D-Camphorsulfonate Esi-8.185	0.0001	3.5996	0.0001
D-Camphorsulfonate Esi-8.187	0.0001	0.0001	3.5998
DCI	0.0003	0.0003	3.5993
Deacetylcephalosporin C	2.2497	0.0003	0.0003
Deacetylcephalosporin C Esi-0.827	0.0012	3.5968	0.0012
Deacetyldiltiazem	1.5405	1.1352	0.0000
Deacetyldiltiazem Esi-6.6946545	1.1100	1.2092	0.6148
Debromohymenialdisine	2.2499	0.0000	0.0000
Debromohymenialdisine Esi-8.199001	0.5596	1.3408	1.3638
Decoside	0.0000	0.0000	3.6000
Delphinine	2.2500	0.0000	0.0000
delta-Carotene-1,2-epoxide	0.0000	0.0000	3.6000
Demethyl-desacetyl-rifamycin S	1.0628	0.9992	0.9004
Demethyl-desacetyl-rifamycin S Esi-13.157564	0.9582	1.0284	1.0385
Demethyl-desacetyl-rifamycin S Esi-13.981002	0.6750	2.5199	0.0000
Demethylisoalangiside	2.2500	0.0000	0.0000
Demeton-S-methylsulphon	0.0000	0.0000	3.6000
Deoxyadenosine monophosphate	1.1888	0.7716	0.9263
Deoxyadenosine monophosphate Esi-0.845	2.2495	0.0004	0.0004
Deoxycholic acid disulfate	1.8495	0.0000	0.6407
Deoxynojirimycin Tetrabenzyl Ether	0.5241	1.5625	1.1989
Deoxynojirimycin Tetrabenzyl Ether Esi-9.348715	0.0001	1.9892	1.6107
Deoxyuridine monophosphate (dUMP)	0.8341	2.2655	0.0000
Dermorphin	2.2496	0.0003	0.0003
Desacetylsufentanil	1.7626	0.7798	0.0000
Desacetylsufentanil Esi-7.7625303	1.1806	0.9658	0.7452
Descladinosyl-6-O-methylerythromycin	0.3771	2.1276	0.8691
Deserpidine	0.2719	1.5639	1.6010
(?-Desethylhydroxychloroquine	0.0003	0.0003	3.5991
Desmethyldescarbamoylnovobiocin	1.0990	1.0718	0.7698
Desmethyldescarbamoylnovobiocin Esi-13.859	2.2500	0.0000	0.0000
Desmethylnimodipine	2.2499	0.0001	0.0001
Desmethylpantoprazole sulfate	0.0000	0.0000	3.5999
Desmethyl rosuvastatin	2.0065	0.3896	0.0000
DETA NONOate	0.6414	2.5738	0.0001
Dexamethasone phosphate	2.2500	0.0000	0.0000
Dexamethasone phosphate Esi-18.227526	2.0550	0.0000	0.3121
D-Fructosazine	0.0001	0.0001	3.5998
DG(13:0/16:1(9Z)/0:0)[iso2]	0.0007	0.0007	3.5982
DG(14:0/17:0/0:0)[iso2]	0.7094	1.3230	1.1421
DG(14:0/17:0/0:0)[iso2] Esi-21.095	2.2499	0.0001	0.0001
DG(15:1(9Z)/16:0/0:0)[iso2]	1.1165	0.0001	1.8134
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2]	1.2373	0.0000	1.6202
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.037998	0.0001	3.5998	0.0001
DG(15:1(9Z)/16:1(9Z)/0:0)[iso2] Esi-21.205997	1.2450	0.0000	1.6080
DG(15:1(9Z)/18:0/0:0)[iso2]	0.0001	0.0001	3.5997
DG(15:1(9Z)/18:1(9Z)/0:0)[iso2]	1.0515	0.0000	1.9176
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]	0.0000	0.0000	3.6000
DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2] Esi-12.076	0.0001	0.0001	3.5999
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]	2.2499	0.0001	0.0001
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.384	2.2499	0.0001	0.0001
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-20.66	0.0001	0.0001	3.5996
DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2] Esi-21.1286	1.2526	0.0002	1.5956
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]	1.1363	1.0148	0.7672
DG(15:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2] Esi-17.803	2.2496	0.0004	0.0004
DG(17:2(9Z,12Z)/20:2(11Z,14Z)/0:0)[iso2]	0.0000	1.6390	1.9610
DG(19:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]	0.9206	0.8538	1.2733
DG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]	2.2500	0.0000	0.0000
DG(24:1(15Z)/20:3(8Z,11Z,14Z)/0:0)	0.4652	1.4021	1.4536
?-D-Glucose	0.0000	0.0000	3.6000
D-Glucosyldihydrosphingosine Esi-16.525	2.2500	0.0000	0.0000
D-Glucosyldihydrosphingosine Esi-16.563997	2.2500	0.0000	0.0000
D(-)-?-hydroxy butyric acid	2.2498	0.0001	0.0001
Diacetylfusarochromanone	0.0001	0.0001	3.5997
Diamidafos	1.1403	0.8699	0.9056
Diamidafos Esi-5.6443315	1.0898	0.8566	0.9998
Diazoxide	0.8633	2.2187	0.0000
Dibenz[c,h]acridine	0.7170	1.3566	1.0962
Dibenz[c,h]acridine Esi-14.184999	2.2499	0.0001	0.0001
Dibenzothiophene	1.1665	0.0000	1.7336
Dibenzothiophene Esi-2.2409997	0.0000	0.0000	3.6000
Dicamba	0.8038	1.1906	1.1233
Dichlozoline	0.4576	1.1259	1.7420
Dichotosinin	0.5848	1.4446	1.2197
Diclobutrazol	0.0001	0.6601	2.9398
Dictyoquinazol B	2.2500	0.0000	0.0000
Dictyoquinazol C	0.9048	1.0550	1.0974
Didanosine	1.4657	0.0000	1.2549
Dideoxymycobactin	1.6370	0.0000	0.9807
Didodecyl thiobispropanoate	2.2500	0.0000	0.0000
Didodecyl thiobispropanoate Esi-19.048002	0.0000	1.5990	2.0010
dIDP	2.2498	0.0002	0.0002
DIDS	2.2500	0.0000	0.0000
DIDS Esi-19.112	2.2499	0.0001	0.0001
Diethyl L-malate	1.3545	0.7571	0.6757
Diethylphosphate	0.8120	0.0000	2.3007
Diethyl succinate	2.2495	0.0004	0.0004
Difenacoum	2.2500	0.0000	0.0000
Diflunisal phenolic glucuronide	1.7459	0.8066	0.0000
Diflunisal phenolic glucuronide Esi-12.493718	1.0362	0.9414	1.0008
Diflunisal phenolic glucuronide Esi-18.394306	1.6644	0.9370	0.0000
Dihomomethionine	0.0001	0.0001	3.5998
Dihydro-2(3H)-thiophenone	2.2494	0.0004	0.0004
Dihydrocaffeic acid 3-O-glucuronide	2.2494	0.0005	0.0005
Dihydrocaffeic acid 3-sulfate	0.0001	0.0001	3.5998
Dihydrocodeine-6-glucuronide	0.7818	2.3491	0.0000
Dihydrocodeine-6-glucuronide Esi-12.849	2.2499	0.0001	0.0001
Dihydrodeoxystreptomycin	0.0016	0.0016	3.5959
Dihydroergocristine	0.9890	1.0613	0.9564
Dihydrojasmonic Acid, Methyl Ester	2.2499	0.0001	0.0001
Dihydrojasmonic Acid, Methyl Ester Esi-10.78	2.2499	0.0001	0.0001
Dihydrolevobunolol glucuronide	1.0916	0.0000	1.8535
Dihydrorhodamine 123	0.0003	0.0003	3.5993
Dihydroxyaltramine	1.1509	0.8814	0.8771
Diisopentyl thiomalate	0.8389	1.0199	1.2378
Diisopropyl sulfate	1.2256	0.7280	0.9110
Dikegulac	1.4413	1.2939	0.0000
Dimefuron	0.0000	0.0000	3.6000
Dimethipin	0.9635	0.8911	1.1673
Dimethylenetriurea	0.5738	1.3350	1.3470
Dinitrosopentamethylenetetramine	0.9798	0.9730	1.0594
Dinoflagellate luciferin	0.9686	0.9645	1.0858
Dinor Iloprost	0.0001	3.5998	0.0001
Dinoseb acetate	1.0507	0.8679	1.0510
Diosbulbinoside F	2.2499	0.0001	0.0001
Dioscoreside C	1.0678	0.9577	0.9339
Dioscoreside C Esi-13.767999	2.2499	0.0000	0.0000
Diphenoxylate	0.0003	0.0003	3.5993
Diphenylphosphine isopropyl ester	2.2500	0.0000	0.0000
Dipiperamide D	0.0000	3.5999	0.0000
Dipyridamole	2.2500	0.0000	0.0000
Dipyridamole Esi-13.513	2.2500	0.0000	0.0000
Distearyl phosphatidyl ethanolamine	0.2563	0.0000	3.1899
Distemonanthin	2.2499	0.0001	0.0001
Disulfiram	1.0517	1.0435	0.8737
Ditalimfos	2.2500	0.0000	0.0000
Dithianon	0.6060	1.3790	1.2513
Dithianon Esi-0.836	0.0001	0.0001	3.5997
Divinylprotochlorophyllide	0.0002	0.0002	3.5996
Djenkolic Acid	1.0327	0.9166	1.0311
DL-?-Lipoic Acid	0.0000	3.5999	0.0000
DL-PPMP	2.2500	0.0000	0.0000
DL-threo-PDMP	0.0001	0.0001	3.5998
DL-threo-PDMP Esi-12.943765	0.5252	1.3181	1.4417
DL-threo-PDMP Esi-13.547	0.0003	0.0003	3.5993
DL-threo-PDMP Esi-13.577822	0.5023	1.5726	1.2238
DMABA-d4 NHS ester	2.2496	0.0003	0.0003
D-Mannitol 1-phosphate	1.0068	1.0675	0.9217
Docusate	1.0024	1.0552	0.9410
Docusate Esi-23.757998	0.0000	0.0000	3.6000
Dodecylguanidine	0.0002	3.5995	0.0002
Dolastatin 11	2.2500	0.0000	0.0000
Donepezil	0.0000	3.5999	0.0000
DPTA NONOate	0.9020	0.9203	1.2364
DPTA NONOate Esi-10.725725	0.7296	1.0839	1.3488
D-Tartaric acid	0.6683	2.5306	0.0000
dTDP-4-oxo-5-C-methyl-L-rhamnose	2.2500	0.0000	0.0000
DU 122290	1.3918	0.8134	0.5596
Duartin (-)	0.0001	0.0001	3.5998
Dukunolide E	1.0169	1.9729	0.0001
dXTP	0.0001	0.0001	3.5996
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene	1.0721	0.9572	0.9274
(E)-1,2-bis(6-methoxyquinolin-4-yl)ethene Esi-5.559	2.2497	0.0002	0.0002
(E)-2-Methylglutaconic acid	2.2500	0.0000	0.0000
E-3179	0.0000	3.5999	0.0000
E-4031	0.5924	1.3071	1.3451
E-64c	2.2496	0.0003	0.0003
E-64d	1.0400	0.9944	0.9415
E-64d Esi-14.968064	1.1581	0.9177	0.8294
E-64d Esi-8.439941	0.7473	0.8134	1.5908
E-64d Esi-9.478	2.2499	0.0001	0.0001
ecdysone palmitate	0.8492	1.1440	1.0973
Eicosanedioic acid	0.0002	0.0002	3.5995
Eicosatrienoic acid	0.0000	0.0000	3.5999
Eicosatrienoic acid Esi-18.831545	0.5511	1.1596	1.5586
Elaiophylin	2.2499	0.0001	0.0001
Elaiophylin Esi-8.087501	1.0626	0.9444	0.9554
Endomorphin-2	1.0336	0.8459	1.1004
Enkephaline, (D-Ala)2-Leu	0.0000	0.0000	3.6000
ent-8-deoxy-J2-IsoP	0.9435	2.0903	0.0001
ent-Epicatechin-(4alpha-8)-ent-epicatechin 3,3^-digallate	0.0000	3.5999	0.0000
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	2.2499	0.0001	0.0001
Epitheaflavic acid 3^-gallate	0.0001	3.5998	0.0001
Equilin sulfate	2.2498	0.0001	0.0001
Eremopetasitenin A2	0.4494	1.2431	1.6378
Ergosine	0.7650	1.1637	1.2123
Ergosine Esi-13.778999	1.2516	0.0000	1.5974
Eruberin C	0.3696	0.0000	3.0087
Erythromycin C	0.5991	1.6017	1.0398
Erythrose	1.0646	0.7396	1.1571
Erythrose Esi-0.842	0.0001	0.0001	3.5999
Esmeraldin B	2.2499	0.0000	0.0000
(E)-Squamosamide	2.2499	0.0001	0.0001
Estra-1,3,5(10)-triene-3,17beta-diol 3-phosphate	2.2499	0.0001	0.0001
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	2.2499	0.0001	0.0001
Etacelasil	1.1009	1.0561	0.7825
ETF	2.2500	0.0000	0.0000
ETF Esi-1.02	0.0000	0.0000	3.5999
Ethchlorvynol	1.0984	0.8498	0.9929
Ethchlorvynol Esi-5.644143	1.1112	0.8724	0.9497
Ethionamide sulfoxide	1.5178	0.0001	1.1715
Ethosuximide M3 glucuronide	0.9505	0.9407	1.1385
Ethyl 18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate	0.0001	0.0001	3.5999
Ethyl 2-Bromo-2-iodoacetate	1.2072	1.6684	0.0000
Ethyl 3-O-beta-D-glucopyranosyl-butanoate	0.9959	1.0998	0.9068
Ethyl glucuronide	1.4761	0.5356	0.7026
Ethyl hydrogen sulfate	1.5881	1.0590	0.0000
Ethyl vanillin isobutyrate	0.5846	1.0010	1.6636
Ethynylestradiol 3-sulfate	0.9383	1.1700	0.9286
Etidocaine	1.5090	1.1857	0.0000
Etidocaine Esi-13.602999	0.0000	0.0000	3.6000
Etidocaine Esi-13.603334	0.9722	1.0590	0.9855
Etidocaine Esi-19.356	2.2497	0.0002	0.0002
etizolam	0.6945	1.3696	1.1191
Etofenprox	0.8884	1.2423	0.9363
Etomoxir	0.0004	0.0004	3.5989
Etrimfos	1.0499	1.0458	0.8744
Etrogol	0.0005	0.0005	3.5988
Eucatropine	0.0002	3.5996	0.0002
Euchrenone b5	0.0000	1.8577	1.7423
EUK 118	2.2500	0.0000	0.0000
Evasterioside E	0.0001	3.5998	0.0001
Ezetimibe	2.2500	0.0000	0.0000
Ezetimibe Esi-18.233	2.2499	0.0001	0.0001
Falimint	0.5600	0.0000	2.7039
Famotidine sulfoxide	1.0710	0.0000	1.8863
Faropenem	0.8915	2.1735	0.0000
Fenclorim	0.0000	3.6000	0.0000
Fenirofibrate	0.8304	2.2713	0.0001
Fenirofibrate Esi-0.83699995	2.2500	0.0000	0.0000
Fenoldopam	2.2500	0.0000	0.0000
Fenoterol sulfate	0.8257	0.0001	2.2787
Fentin acetate	0.8745	1.0725	1.1283
Ferrichrome	2.2500	0.0000	0.0000
Ferulic acid	2.2497	0.0003	0.0003
Feruloyl-2-hydroxyputrescine	2.2498	0.0002	0.0002
Fetidine	0.0000	0.0000	3.6000
F-Honaucin A	1.0567	0.0000	1.9093
Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside]	2.2499	0.0001	0.0001
Flindersiachromone	2.2499	0.0001	0.0001
Flindersiamine	0.0002	3.5994	0.0002
Flonicamid	0.8366	1.4574	0.8041
Fludioxonil	0.0002	0.0002	3.5995
Flumiclorac pentyl	2.2499	0.0001	0.0001
Flunarizine	1.5691	0.5153	0.5741
Flunisolide	2.2498	0.0002	0.0002
Flunitrazepam	0.0002	3.5994	0.0002
Fluoroureidopropionic acid	0.0001	0.0001	3.5997
Fluotrimazole	0.4671	1.3783	1.4743
Fluperlapine	0.9767	0.0000	2.0373
Fluphenazine enanthate	1.2136	0.0000	1.6582
Fluprostenol isopropyl ester	0.0002	3.5994	0.0002
Fluprostenol Lactone Diol	0.0002	0.0002	3.5994
Fluprostenol methyl ester	0.9033	1.1377	1.0171
Fluprostenol methyl ester Esi-17.805	2.2495	0.0004	0.0004
Fluvastatin	2.2500	0.0000	0.0000
Fluvastatin Esi-19.509502	0.0000	1.6866	1.9134
Fluxofenim	1.9605	0.4632	0.0000
FMC-5(d18:1/24:0)	0.0001	0.0001	3.5997
Foeniculoside I	1.5401	0.0000	1.1358
Folic acid	2.2499	0.0000	0.0000
(-)-Folicanthine	2.2500	0.0000	0.0000
(-)-Folicanthine Esi-18.905445	1.2604	0.0000	1.5834
(-)-Folicanthine Esi-19.1315	0.8364	0.0000	2.2617
Folpet	0.0000	2.3539	1.2460
Fomesafen	0.0001	0.0001	3.5997
Fomylciprofloxacin	2.2492	0.0006	0.0006
Formononetin 7-O-glucuronide	2.2496	0.0003	0.0003
Formoterol	2.2499	0.0001	0.0001
Formylpyruvate	1.3216	0.0000	1.4854
Formylpyruvate Esi-1.255	0.0000	3.6000	0.0000
Fortimicin AO	1.0303	1.1157	0.8358
Fortimicin AP	0.7657	1.3673	1.0075
Fortimicin AP Esi-10.715143	0.0001	1.7448	1.8551
Fortimicin AP Esi-11.01	0.0003	0.0003	3.5992
Fosinoprilat	0.0001	3.5999	0.0001
Fosinoprilat Esi-10.661	0.0001	3.5998	0.0001
FR122047	1.0219	0.0001	1.9649
FTY720 phenoxy-biotin	1.5196	0.0000	1.1686
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)	0.0000	0.0000	3.5999
Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-15.069	0.0000	3.6000	0.0000
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	0.0001	0.0001	3.5998
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	2.2500	0.0000	0.0000
Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)	0.0000	2.8460	0.7539
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	2.2500	0.0000	0.0000
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)	0.0000	0.0000	3.5999
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.548002	0.0000	3.5999	0.0000
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.553	2.2499	0.0000	0.0000
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0)	0.0001	0.0001	3.5998
Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	2.2500	0.0000	0.0000
Fucoxanthinol	2.2499	0.0001	0.0001
Fursultiamine	1.4747	0.0001	1.2405
Fusicoccin A	1.5769	0.0000	1.0770
(-)-Fusicoplagin A	0.6089	1.2834	1.3424
Fusidic acid	0.0001	0.0001	3.5996
Futalosine	2.2451	0.0039	0.0039
G?6983	2.2499	0.0001	0.0001
Gal?1-3GlcNAc?-Sp	1.1858	0.7909	0.9117
Galactaric acid	1.0581	0.8536	1.0535
Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	0.0004	3.5990	0.0004
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0)	2.2497	0.0002	0.0002
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0)	1.0845	0.9570	0.9077
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) Esi-14.280001	2.2500	0.0000	0.0000
Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0)	2.2482	0.0014	0.0014
Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	0.0000	0.0000	3.5999
Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	2.2498	0.0002	0.0002
Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	0.0000	0.0000	3.5999
Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	2.2499	0.0000	0.0000
Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	1.1718	0.8852	0.8399
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0)	1.1654	0.9482	0.7872
Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/14:0) Esi-14.026	0.0000	0.0000	3.5999
Gallamine	0.8060	0.0001	2.3103
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp	0.7980	1.2083	1.1150
GalNAc?1-3Gal?1-4Gal?1-4GlcNAc?-Sp Esi-14.18	2.2500	0.0000	0.0000
GalNAc?1-4GlcNAc?-Sp	2.2499	0.0001	0.0001
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	0.0000	3.5999	0.0000
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)	2.2500	0.0000	0.0000
GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	2.2500	0.0000	0.0000
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0)	2.2499	0.0001	0.0001
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	1.0350	1.0162	0.9278
GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) Esi-13.995312	1.4922	1.2125	0.0000
Gambieric acid B	0.0000	0.0000	3.6000
Gambieric acid B Esi-15.044999	2.2500	0.0000	0.0000
Gambieric acid B Esi-15.449	2.2500	0.0000	0.0000
Gambirtannine	0.0002	0.0002	3.5995
Gambogic acid	0.0000	0.0000	3.6000
Gamma-glutamyl-Alanine	2.2500	0.0000	0.0000
(+)-gamma-Hydroxy-L-homoarginine Esi-7.653	0.0003	3.5992	0.0003
Ganglioside GD3 (d18:0/20:0)	0.1560	1.8529	1.4975
Ganglioside GD3 (d18:0/24:0)	1.0889	0.0000	1.8577
Ganglioside GD3 (d18:0/25:0)	0.9497	0.0000	2.0805
Ganglioside GD3 (d18:0/26:0)	0.0000	3.6000	0.0000
Ganglioside GM1 (18:1/22:0)	1.6283	0.9947	0.0000
Ganglioside GM1 (18:1/22:0) Esi-14.879001	1.3461	0.0000	1.4462
Ganglioside GM1 (d18:0/23:0)	1.4072	1.3485	0.0000
Ganglioside GM1 (d18:0/23:0) Esi-14.559	0.0000	0.0000	3.6000
Ganglioside GM1 (d18:0/23:0) Esi-14.567172	0.8340	1.1366	1.1290
Ganglioside GM1 (d18:0/23:0) Esi-14.870058	1.0231	0.6755	1.2875
Ganglioside GM1 (d18:1/22:1(13Z))	0.0000	3.5999	0.0000
Ganglioside GM1 (d18:1/23:0)	0.8163	0.0000	2.2939
Ganglioside GM2 (d18:0/22:1(13Z))	2.2499	0.0001	0.0001
Ganglioside GM2 (d18:0/24:1(15Z))	2.2496	0.0003	0.0003
Ganglioside GM2 (d18:0/26:1(17Z))	1.3500	1.4400	0.0000
Ganglioside GM2 (d18:0/26:1(17Z)) Esi-14.23	0.8649	0.0000	2.2161
Ganglioside GM2 (d18:1/22:1(13Z))	0.8173	2.2923	0.0000
Ganglioside GM3 (d18:0/12:0)	2.2499	0.0001	0.0001
Ganglioside GM3 (d18:0/25:0)	0.0000	2.2942	1.3057
Ganglioside GM3 (d18:0/25:0) Esi-13.782999	0.0000	3.5999	0.0000
Ganglioside GM3 (d18:0/26:0)	2.2498	0.0001	0.0001
Ganglioside GM3 (d18:1/12:0)	1.0626	1.0014	0.8984
Ganglioside GM3 (d18:1/14:0)	2.2500	0.0000	0.0000
Ganoderic acid F	2.2500	0.0000	0.0000
Ganodermic acid TQ	0.0000	0.0000	3.6000
Ganodermic acid TQ Esi-23.747498	0.0000	1.3354	2.2646
Garciduol B	0.0001	3.5998	0.0001
Garciduol B Esi-18.406	2.2499	0.0000	0.0000
Geldanamycin Analog	0.6040	1.5368	1.0969
Genistein 4^-rhamnoside	0.0000	3.6000	0.0000
Gentamicin	1.3977	1.3637	0.0000
Gibberellin A3	2.2500	0.0000	0.0000
Gibberellin A53	0.0001	0.0001	3.5998
Gibberellin A92	0.8891	1.0607	1.1167
Ginsenoside Rb1	1.0979	0.9093	0.9340
Ginsenoside Rb1 Esi-14.56789	1.2334	0.8971	0.7294
Ginsenoside Rb1 Esi-14.887374	0.9237	0.0000	2.1220
Ginsenoside Rb1 Esi-14.899	0.0000	0.0000	3.6000
Ginsenoside Rs2	1.4800	1.2319	0.0000
Ginsenoside Rs2 Esi-14.407	0.0000	0.0000	3.5999
Ginsenoyne L	0.0001	3.5998	0.0001
Ginsenoyne L Esi-9.911	2.2499	0.0001	0.0001
Glabrachromene II	2.2499	0.0001	0.0001
Glandulone B	1.2060	1.6703	0.0000
Glandulone B Esi-3.2642305	1.4676	0.0000	1.2518
GlcCer(d16:1/18:0)	1.2722	0.8133	0.7512
GlcCer(d16:1/18:0) Esi-23.399	2.2499	0.0000	0.0000
GlcCer(d16:1/18:0) Esi-23.715746	1.0508	0.0000	1.9187
GlcCer(d16:2(4E,6E)/20:0)	0.9593	0.9314	1.1337
GlcCer(d16:2(4E,6E)/24:0)	0.0000	0.0000	3.5999
Glc-GP(18:0/18:0)	2.2500	0.0000	0.0000
GlcNAc?1-3(Gal?1-4GlcNAc?)2-Sp	0.0001	3.5998	0.0001
GlcNAc?1-3Gal?1-4GlcNAc?-Sp	0.0001	3.5998	0.0001
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0)	1.4185	1.3303	0.0000
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/16:0) Esi-14.669	2.2500	0.0000	0.0000
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0)	1.3019	0.8577	0.6593
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.592156	0.2585	3.1865	0.0000
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-14.850999	2.2500	0.0000	0.0000
GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/18:0) Esi-16.559	2.2500	0.0000	0.0000
Glibornuride	0.0000	3.3679	0.2321
Glibornuride M2 (p-carboxyglibornuride)	2.2500	0.0000	0.0000
Gliquidone	1.2021	0.9667	0.7099
Gln Asn Arg	1.0924	0.9294	0.9227
Gln Asn His	1.2506	0.7167	0.8823
Gln Asn His Esi-17.809042	0.4637	1.6115	1.2465
Gln Asn Ser	2.2497	0.0002	0.0002
Gln Asp Phe	0.6117	0.0000	2.6213
Gln Glu Gln	1.0148	0.9831	0.9933
Gln Glu Tyr	0.8498	2.2402	0.0001
Gln Ile Val	0.6601	1.0339	1.5099
Gln Phe Ile	2.2498	0.0002	0.0002
Gln Pro Leu	1.0846	0.9182	0.9464
Gln Pro Leu Esi-18.393852	1.5245	0.6148	0.5460
Gln Pro Pro	0.0001	2.0161	1.5838
Gln Ser Cys	0.7708	1.2630	1.1038
Glu Arg Phe	2.2499	0.0000	0.0000
Glucoconringiin	2.2500	0.0000	0.0000
Glucoconringiin Esi-6.1020007	0.0001	0.0001	3.5998
Glucoheptonic acid	0.0000	1.7618	1.8382
Glu Gln Gln	1.1139	0.9796	0.8382
Glu Gln Val	1.0174	1.1063	0.8659
Glu Glu Thr	0.8475	0.5858	1.6583
Glu His Arg	0.7405	1.3806	1.0346
Glu His Glu	0.8803	1.8336	0.3579
Glu His Ile	1.0051	1.2978	0.6941
Glu Ile Arg	2.2500	0.0000	0.0000
Glu Ile Leu	0.9827	0.8505	1.1771
Glu Ile Lys	0.0008	0.0008	3.5978
Glu Ile Val	1.0663	0.9460	0.9479
Glu Ile Val Esi-5.766665	0.9719	0.7831	1.2619
Glu Ile Val Esi-5.9629984	0.9782	0.9185	1.1164
Glu Lys His	0.8206	1.2730	1.0141
Glu Lys His Esi-19.547081	0.3604	1.9011	1.1222
Glu Met Trp	1.2300	0.8077	0.8243
Glu Phe Glu	0.9721	2.0446	0.0000
Glu Pro Thr	2.2500	0.0000	0.0000
Glu Thr Asp	1.1948	0.9255	0.7628
Glu Thr Thr	2.2500	0.0000	0.0000
Glu Tyr Pro	1.0492	1.0924	0.8289
Gly Asp Val	2.2499	0.0001	0.0001
Glycerol 1,2-cyclic phosphate	0.8048	1.1489	1.1634
Glycerol 1-propanoate diacetate	0.0000	0.0000	3.6000
Glycerol triundecanoate	2.2500	0.0000	0.0000
Glycerol triundecanoate Esi-14.857001	2.2500	0.0000	0.0000
Glycerol triundecanoate Esi-20.89194	0.5667	0.0000	2.6933
Glyceryl lactooleate	2.2500	0.0000	0.0000
Glycosides	1.7212	0.8461	0.0000
Glycosides Esi-9.361889	0.9006	1.1504	1.0087
Glycoursodeoxycholic acid	0.0002	0.0002	3.5994
Glycylalanylprolylmethionylphenylalanylvalinamide	0.6906	0.9654	1.5297
Glycyl-H-1152	1.3420	0.2130	1.2397
Gly Gln Gln	0.0002	0.0002	3.5994
Gly Gln Gly	0.0001	3.5997	0.0001
Gly Lys Leu	0.0001	2.6465	0.9534
Gly-Nap-OH	1.5117	1.1812	0.0000
Gly-Nap-OH Esi-0.83899987	0.0001	0.0001	3.5998
Gly Tyr Asn	0.0001	3.5997	0.0001
Gly Tyr His	0.0001	0.0001	3.5998
GN25	1.0237	1.0296	0.9325
Gnididin	2.2500	0.0000	0.0000
Gonyautoxin IV	0.0003	0.0003	3.5993
Goserelin	0.9430	1.0577	1.0335
Goserelin Esi-13.974999	0.0000	3.5999	0.0000
Goserelin Esi-14.011	2.2499	0.0000	0.0000
Goshonoside F6	0.8830	1.1065	1.0806
GPSer(16:0/18:1(9Z))	1.2541	0.8811	0.7124
GPSer(16:0/18:1(9Z)) Esi-14.094	0.0002	3.5995	0.0002
Granisetron metabolite 4 sulfate	0.0003	3.5992	0.0003
Grossamide	0.0001	3.5998	0.0001
GSK264220A	0.4759	1.4105	1.4281
Gualenate	0.0001	0.0001	3.5997
Guanidinoproclavaminic acid	0.0002	3.5996	0.0002
GW 3965	2.2499	0.0000	0.0000
GW 6471	0.8412	1.3190	0.9350
GW 6471 Esi-13.514	0.9311	1.1082	1.0021
GW 6471 Esi-13.727	2.2500	0.0000	0.0000
GW 6471 Esi-14.841889	1.0758	0.8704	1.0083
GW 7647	0.8339	1.0498	1.2161
GW 7647 Esi-23.759872	0.7239	0.0000	2.4417
Gymnodimine	2.2500	0.0000	0.0000
HA-1077	0.6059	1.3553	1.2752
HAMI3379	1.2524	1.5962	0.0000
Haplophytine	2.2500	0.0000	0.0000
Harrisonin	1.2452	0.0001	1.6075
HC Toxin	1.0661	1.8941	0.0000
Hedamycin	2.2499	0.0001	0.0001
Hedamycin Esi-15.987	2.2499	0.0001	0.0001
Heliotrine	0.0001	0.0001	3.5996
Hericene B	2.2496	0.0003	0.0003
Hexacosanedioic acid	1.0409	0.9483	0.9864
Hexacosanedioic acid Esi-20.018232	0.5672	1.3106	1.3819
Hexahydro-2^,3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3^(2^H)-furan]	2.2500	0.0000	0.0000
His Arg Ala	2.2500	0.0000	0.0000
His Glu Asn	0.8457	2.2468	0.0000
His His Cys	2.2496	0.0003	0.0003
His His His	2.2500	0.0000	0.0000
His Ile Gln	2.2500	0.0000	0.0000
His Leu Lys	0.0000	1.8814	1.7185
His Lys Asp	2.2500	0.0000	0.0000
His Lys His	2.2499	0.0000	0.0000
His Lys Phe	1.1723	1.7242	0.0001
His Lys Phe Esi-6.1037855	0.7965	2.3254	0.0001
His Met Ala	0.7275	1.0037	1.4323
His Met Ala Esi-17.569	0.0000	0.0000	3.6000
His Met Glu	0.0000	1.6348	1.9652
His Met Lys	2.2498	0.0001	0.0001
Hispidulin 7-(6^^-E-p-Coumaroylglucoside)	0.0000	3.5999	0.0000
His Pro Trp	0.0002	0.0002	3.5995
Histidinyl-Aspartate	0.0000	3.5999	0.0000
Histidinyl-Hydroxyproline	0.6022	0.7198	1.9168
Histidinyl-Hydroxyproline Esi-0.77300006	0.0000	0.0000	3.6000
His Trp Ser	2.2500	0.0000	0.0000
His Val Lys	0.0001	0.0001	3.5996
His Val Met	0.9674	1.3502	0.7019
HMBOA-Glc	2.2495	0.0004	0.0004
HMB-Val-Ser-Leu-VE	2.2500	0.0000	0.0000
HMB-Val-Ser-Leu-VE Esi-15.069617	0.5599	1.4074	1.2967
HMB-Val-Ser-Leu-VE Esi-5.619	2.2498	0.0002	0.0002
Hodgkinsine	0.6229	1.3363	1.2670
Homocystine	0.0000	0.0000	3.5999
Homodihydrocapsaicin	2.2500	0.0000	0.0000
HoPhe-HoPhe-OH	1.6548	0.4705	0.4818
Hordatine B	0.9584	1.0513	1.0152
Horhammericine	2.2500	0.0000	0.0000
Horhammericine Esi-18.71	2.2498	0.0001	0.0001
Hovenidulcigenin A	0.7368	2.4211	0.0000
HPF	1.6358	0.0000	0.9827
HPF Esi-1.523	0.0002	3.5995	0.0002
Hycanthone	0.0000	3.5999	0.0000
Hydramethylnon	2.2499	0.0001	0.0001
?-Hydroxyisobutyrate	1.3401	0.7772	0.6787
Hydroxymelphalan	2.2500	0.0000	0.0000
Hydroxyminaline	0.0001	0.0001	3.5998
Hydroxythiopental	1.0751	0.8641	1.0157
Hypoxylone	0.0002	0.0002	3.5994
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	0.7547	1.2096	1.1829
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi-14.070586	0.2498	1.5036	1.6968
Ile Ala Asn	0.0001	3.5998	0.0001
Ile Asp His	0.0000	0.0000	3.6000
Ile Ile Lys	0.8641	1.1935	1.0239
Ile-lle-OH	2.2500	0.0000	0.0000
Ile-lle-OH Esi-17.959187	0.9175	0.9362	1.1957
Ile Lys His	1.0011	1.0446	0.9535
Ile Lys Lys	2.2499	0.0001	0.0001
Ile Lys Lys Esi-18.367002	2.2498	0.0001	0.0001
Ile Phe Ile	2.2499	0.0001	0.0001
Ile Val Gly	1.5907	0.0001	1.0548
imidapril	0.0001	3.5997	0.0001
Imiquimod	0.0001	0.0001	3.5998
Indinavir	2.2497	0.0002	0.0002
Indolelactic acid	2.2500	0.0000	0.0000
Indoxylsulfuric acid	0.9218	1.2169	0.9081
Inosine 2^,3^-cyclic phosphate	0.0000	2.4501	1.1499
Inosine-5^-carboxylate	0.9100	1.0464	1.0977
Ins-1-P-Cer(d18:1/22:0)	0.0001	3.5998	0.0001
Integerrenine	1.0067	0.9634	1.0259
Integerrenine Esi-13.511475	0.0000	1.5578	2.0422
Integerrine	2.2497	0.0002	0.0002
Iprovalicarb	0.0003	0.0003	3.5991
Iriediol	2.2500	0.0000	0.0000
isepamicin	2.2500	0.0000	0.0000
isepamicin Esi-13.792515	0.8155	1.1449	1.1503
Isobutyrylglycine	1.0130	0.8928	1.0864
Isoeugenol phenylacetate	1.1270	1.0432	0.7536
Isoferulic acid 3-sulfate	2.2500	0.0000	0.0000
Isofraxidin	1.0595	0.7963	1.1085
Isomorellic acid	2.2499	0.0000	0.0000
Isoorientin 6^^-O-alpha-L-arabinoside	2.2498	0.0002	0.0002
Isopentyl gentiobioside	0.7876	1.1834	1.1564
Isoplumbagin	1.4328	0.0000	1.3075
Isopropyl apiosylglucoside	1.1732	0.8274	0.8955
Isopropyl apiosylglucoside Esi-18.040003	0.0000	3.6000	0.0000
Isopropyl apiosylglucoside Esi-18.751	0.0002	3.5995	0.0002
Isoreserpine	0.0000	3.6000	0.0000
Isorhamnetin 3-[2^^-(4^^^-acetylrhamnosyl)-gentiobioside]	0.0001	3.5998	0.0001
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) Esi-20.356	2.2499	0.0001	0.0001
Isoscutellarein 4^-methyl ether 8-(2^^-sulfatoglucuronide) Esi-6.0989995	0.0001	3.5999	0.0001
Isoxaben	0.9125	2.1400	0.0000
Isoxaben Esi-12.109461	1.2834	0.0000	1.5466
Istamycin AP	0.0005	0.0005	3.5987
Istamycin B0	0.0001	3.5997	0.0001
Istamycin C0	0.7026	1.2905	1.1853
Istamycin C0 Esi-15.586999	2.2500	0.0000	0.0000
Istamycin C0 Esi-15.5872755	0.9999	0.8889	1.1113
Istamycin C0 Esi-16.0415	2.2500	0.0000	0.0000
Istamycin KL1	2.2499	0.0001	0.0001
Istamycin X0	0.8519	0.8742	1.3628
Istamycin X0 Esi-15.615997 :1	1.4822	0.0000	1.2285
Istamycin X0 Esi-15.622	0.0000	0.0000	3.6000
Istamycin X0 Esi-16.171446	1.2619	0.8729	0.7081
Istamycin X0 Esi-9.9388895	0.9172	0.0000	2.1325
Istamycin Y0	1.0750	0.9301	0.9498
Jaceidin	0.0001	1.5861	2.0137
Jadomycin B	2.2500	0.0000	0.0000
Jamaicamide A	2.2500	0.0000	0.0000
Jamaicamide B	1.1322	1.7885	0.0001
Jamaicamide B Esi-10.62047	0.6440	1.2333	1.3362
Jamaicamide B Esi-11.435726	1.0526	1.9157	0.0000
Janthitrem C	1.2606	0.7844	0.7987
Janthitrem C Esi-14.425043	0.3044	1.4386	1.6744
Janthitrem C Esi-14.674221	1.1544	1.5332	0.2197
Janthitrem C Esi-14.834	2.2500	0.0000	0.0000
Janthitrem C Esi-14.837	0.5274	1.7947	0.9615
Janthitrem C Esi-15.099999	2.2500	0.0000	0.0000
Jesaconitine	0.8948	1.0500	1.1183
JNJ-10198409	2.2500	0.0000	0.0000
JNJ-10198409 Esi-12.412695	0.5038	1.4005	1.3935
JP104	1.0387	1.0541	0.8839
JP83	1.2243	0.8894	0.7516
Jurubine	0.5408	1.5384	1.1963
JWH022	0.4304	1.5236	1.3878
JWH022 Esi-19.05115	0.5184	1.5650	1.2057
JWH 073 N-(4-hydroxybutyl) metabolite-d5	2.2498	0.0002	0.0002
JWH 073 N-(4-hydroxybutyl) metabolite-d5 Esi-6.25	2.2499	0.0001	0.0001
JWH 073 N-butanoic acid metabolite-d5	0.4908	1.4011	1.4136
JWH 081 N-(5-hydroxypentyl)	0.0001	0.0001	3.5998
JWH 081 N-(5-hydroxypentyl) Esi-18.811003	0.0001	3.5997	0.0001
JWH145	0.0000	1.8069	1.7931
JWH 200 2^-naphthyl isomer	0.9409	0.0000	2.0945
JWH 200-d5	2.2500	0.0000	0.0000
JWH 210 N-(5-carboxypentyl) metabolite	0.7327	1.1442	1.2834
JWH213	2.2498	0.0001	0.0001
Kalbreclasine	2.2499	0.0001	0.0001
Kanokoside D	1.3847	1.3844	0.0000
Kanokoside D Esi-15.083	2.2500	0.0000	0.0000
Kansuinine B	1.4748	0.0000	1.2404
Kanzonol R	0.0000	3.5999	0.0000
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)	2.2500	0.0000	0.0000
Ketanserin	0.6547	1.4304	1.1221
Ketanserinol	2.2499	0.0001	0.0001
Ketoconazole	2.2496	0.0003	0.0003
Ketoconazole Metabolite (2,3-Piperazinedione, 1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethy	0.0000	3.5999	0.0000
Ketoleucine	0.8127	0.8392	1.4605
Ketoleucine Esi-4.723999	0.7237	0.0000	2.4420
ketophenylbutazone	0.0000	0.0000	3.5999
Ketospirilloxanthin	0.0000	0.0000	3.6000
Khelmarin D	1.3081	0.6760	0.8310
Kikkanol A	0.9673	1.1381	0.9142
Kikkanol A Esi-11.870001	0.0000	0.0000	3.5999
Kiwiionoside	2.2499	0.0001	0.0001
Kni 102	1.1613	0.9667	0.7752
Kni 102 Esi-13.425002	2.2500	0.0000	0.0000
Kni 102 Esi-14.021692	1.2441	1.6095	0.0000
Kni 102 Esi-14.574	0.0000	3.5999	0.0000
Kni 102 Esi-14.802616	1.4590	0.0000	1.2656
Kni 102 Esi-17.123	2.2500	0.0000	0.0000
Kukoamine D	0.4511	1.5012	1.3770
Kurilensoside J	2.2500	0.0000	0.0000
Kurziflavolactone D	1.6843	0.0000	0.9050
Kuwanol E Esi-15.122	2.2499	0.0000	0.0000
Kuwanone H	0.9467	1.1531	0.9322
Kuwanon R	2.2500	0.0000	0.0000
Kuwanon R Esi-13.948922	0.3036	1.5955	1.5188
L-902,688	1.1131	1.1113	0.7078
Labetalol Metabolite (b-D-Glucopyranosiduronic acid, 1-[3-(aminocarbonyl)-4-hydroxyphenyl]-2-[(1-met	0.5361	1.4469	1.2953
Lablaboside F	2.2500	0.0000	0.0000
LacCer(d18:0/26:1)	2.2498	0.0002	0.0002
Lacinilene C 7-methyl ether	0.9893	0.9738	1.0433
Lacto-N-fucoheptaose	2.2499	0.0001	0.0001
Lanceotoxin A	0.9645	0.0000	2.0568
Lansioside A	1.4473	1.2842	0.0000
Lansoprazole	1.0427	1.0391	0.8926
Lansoprazole Esi-0.84076947	0.3225	1.5369	1.5472
Lappaconitine	0.9608	2.0627	0.0000
L-Arogenate	1.2737	0.0000	1.5620
L-Ascorbic acid	0.0001	0.0001	3.5999
Laserpitin	0.0001	1.7989	1.8009
Lasiodine A	0.7557	2.3909	0.0000
Latanoprost-d4	0.0000	0.0000	3.5999
Latanoprost (free acid)-d4	0.6228	0.8781	1.7254
Latanoprost (free acid)-d4 Esi-18.924002	0.0000	2.2283	1.3716
Latrunculin A	2.0385	0.0000	0.3383
Laurencione diacetate	2.2500	0.0000	0.0000
Lauryl hydrogen sulfate	0.9183	1.0174	1.1133
Lauryl hydrogen sulfate Esi-20.184002	0.0000	0.0000	3.6000
Lauryl hydrogen sulfate Esi-20.359999	1.3379	1.4593	0.0000
Lauryl hydrogen sulfate Esi-21.017363	1.5374	0.0001	1.1401
Lauryl hydrogen sulfate Esi-21.026402	1.3275	0.0001	1.4759
Lauryl hydrogen sulfate Esi-22.029	0.0003	0.0003	3.5993
Lauryl hydrogen sulfate Esi-23.736	2.2500	0.0000	0.0000
L-Cyclo(alanylglycyl)	0.0001	0.0001	3.5998
Leflunomide Esi-3.274	0.0000	3.5999	0.0000
Leoidin Dimethyl Ether	0.0000	0.0000	3.5999
Leonoside B	2.2500	0.0000	0.0000
Lesquerolic acid	0.9869	1.1006	0.9204
Lesquerolic acid Esi-18.764057	0.0001	1.5460	2.0539
Lesquerolic acid Esi-18.919157	0.5632	1.2927	1.4061
Leu Asp	0.8208	1.2806	1.0061
Leucadenone D	0.3846	1.3904	1.5942
Leu Cys Tyr	0.5644	1.1983	1.4986
Leu Gln Val	1.4238	0.7145	0.6074
Leu Glu Gln	0.8311	0.0000	2.2703
Leu His Asn	0.9920	0.9825	1.0304
Leu His Asn Esi-0.652	0.0009	0.0009	3.5976
Leu Ile Gln	0.7731	1.2017	1.1613
Leukotriene B4-3-aminopropylamide	0.7930	2.3311	0.0000
Leukotriene B4-3-aminopropylamide Esi-11.701998	0.3206	0.0000	3.0870
Leukotriene B4-3-aminopropylamide Esi-11.704637	0.8195	1.7782	0.5106
Leukotriene B4-3-aminopropylamide Esi-11.71	0.0001	1.6532	1.9467
Leukotriene B4-3-aminopropylamide Esi-11.867218	0.9319	1.0677	1.0412
Leukotriene B4-3-aminopropylamide Esi-12.382003	0.8383	1.6300	0.6287
Leukotriene B4-3-aminopropylamide Esi-13.272002	0.6125	0.0000	2.6200
Leukotriene B4-3-aminopropylamide Esi-13.5269985	1.0420	0.0000	1.9328
Leukotriene B4-3-aminopropylamide Esi-13.529001	0.0000	0.0000	3.6000
Leukotriene B4-3-aminopropylamide Esi-17.563002	2.2500	0.0000	0.0000
Leukotriene D4-d5	0.9385	1.0297	1.0688
Leukotriene D4-d5 Esi-14.724852	1.4967	0.0000	1.2053
Leukotriene D4 methyl ester	0.5379	0.0000	2.7394
Leukotriene D4 methyl ester Esi-13.571001	0.0001	3.5998	0.0001
Leukotriene E4-d5	0.7738	1.2821	1.0798
Leukotriene F4	0.0000	0.0000	3.6000
Leu Lys Ser	1.8221	0.0000	0.6847
L-Glyceric acid	1.0106	0.9825	1.0004
Linoleyl arachidonate	2.2499	0.0001	0.0001
Lipoxin C4	2.2500	0.0000	0.0000
Lipoxin C4 Esi-14.214115	0.9954	0.9409	1.0664
Lipoxin C4 Esi-14.362997	1.0627	1.8996	0.0000
Lipoxin C4 Esi-16.969027	0.9692	1.1187	0.9306
Liriodenine	1.1935	1.1365	0.5540
Liriodenine Esi-1.872	2.2499	0.0001	0.0001
L-Isoleucine	0.9649	1.1629	0.8933
L-Isoleucine Esi-0.98600006	1.6476	0.9638	0.0000
Lisuride	0.9536	0.9962	1.0780
Lithocholic acid taurine conjugate	0.6909	1.2391	1.2555
Lithocholic acid taurine conjugate Esi-13.262	2.2500	0.0000	0.0000
Lithocholic acid taurine conjugate Esi-13.403336	0.8475	1.1204	1.1235
Lithocholic acid taurine conjugate Esi-13.663893	0.7916	1.0889	1.2445
Lithocholic acid taurine conjugate Esi-13.664846	1.4164	0.0000	1.3338
Lithocholic acid taurine conjugate Esi-15.662999	0.0001	0.0001	3.5996
Lividomycin B	2.2500	0.0000	0.0000
Lividomycin B Esi-13.670999	0.0000	0.0000	3.6000
Lividomycin B Esi-14.844177	1.0628	0.8524	1.0472
Lividomycin B Esi-15.012224	1.0818	0.8939	0.9752
Lividomycin B Esi-15.033	2.2500	0.0000	0.0000
Lochnericine	0.9367	2.1013	0.0000
Loganin pentaacetate	1.6937	0.4174	0.4726
Losartan N2-glucuronide	2.2499	0.0000	0.0000
Lovastatin acid (Mevinolinic acid)	0.5057	1.4422	1.3486
Lovastatin acid (Mevinolinic acid) Esi-19.048666	0.0000	2.1288	1.4711
Lovastatin acid (Mevinolinic acid) Esi-19.758	0.0002	0.0002	3.5995
Lucyoside K	2.2500	0.0000	0.0000
Lumiracoxib	2.2499	0.0001	0.0001
Lupalbigenin	0.5214	1.3864	1.3794
Lupiwighteone hydrate 7-glucoside	1.1927	0.8571	0.8346
Lupiwighteone hydrate 7-glucoside Esi-0.651	0.0007	0.0007	3.5983
Luteoskyrin	2.2499	0.0001	0.0001
Lycoctonine	0.2397	0.8301	2.3864
Lycoctonine Esi-14.404003	0.8105	2.3033	0.0000
Lycoctonine Esi-14.408003	1.4211	0.0000	1.3263
Lycoctonine Esi-14.8099985	0.8423	0.0000	2.2523
Lycoperdic acid	0.7088	1.2553	1.2106
Lys Ala Ile	1.1830	0.8355	0.8717
Lys Gln Ile	0.9337	0.9276	1.1785
Lys Gln Lys	1.0109	1.9824	0.0001
Lys Glu Tyr	1.2531	0.0001	1.5951
Lys Leu Ser	2.2499	0.0001	0.0001
Lys Lys Arg	0.0000	0.0000	3.5999
Lys Lys Arg Esi-16.804998	0.0000	3.6000	0.0000
Lys Lys Asp	1.1652	1.0107	0.7250
Lys Lys Ser	0.9788	1.0793	0.9546
Lys Met Asn	0.4675	1.5594	1.2927
LysoPE(0:0/16:0)	0.9477	1.0972	0.9865
LysoPE(0:0/16:0) Esi-14.242223	0.9737	1.0778	0.9643
LysoPE(0:0/18:0)	1.0085	1.1299	0.8564
LysoPE(0:0/18:0) Esi-14.043	2.2500	0.0000	0.0000
LysoPE(18:1(11Z)/0:0)	1.1082	0.9455	0.8814
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)	0.8759	1.1505	1.0480
LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0) Esi-14.047751	2.2500	0.0000	0.0000
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	0.9625	1.2286	0.8315
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.593262	0.7054	1.8074	0.6639
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)	0.9863	1.0554	0.9665
LysoPE(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0) Esi-13.987215	1.0387	1.0030	0.9351
Lys Phe Gln	0.0009	3.5976	0.0009
Lys Phe Thr	1.5739	0.6115	0.4704
Lys Ser Asp	0.0001	3.5998	0.0001
Lys Thr Asp	0.5262	1.2244	1.5336
Lys Val Val	1.0128	0.9737	1.0058
Lys Val Val Esi-15.215776	1.1435	0.7740	0.9964
Macaflavone II	2.2500	0.0000	0.0000
Machaerol C	0.0000	0.0000	3.5999
Macrocarpal C	2.2499	0.0001	0.0001
Magnesium protoporphyrin monomethyl ester	0.9521	1.0679	1.0088
MAHMA NONOate	0.0002	3.5994	0.0002
makisterone B	1.1731	1.7231	0.0000
makisterone B Esi-14.750736	1.3839	1.3858	0.0000
Malyngamide L	0.0000	0.0000	3.5999
Mangostinone	1.0800	0.6514	1.2207
Marasmene	0.9966	1.1494	0.8560
Marasmene Esi-14.875	0.0000	0.0000	3.6000
Maraviroc	1.1893	0.8961	0.8009
Maraviroc Esi-16.530228	1.0001	1.1569	0.8430
Margrapine A	0.9381	2.0990	0.0001
Matesaponin 3	2.2499	0.0001	0.0001
Mauritine A	2.2500	0.0000	0.0000
Mayolene-16	2.2500	0.0000	0.0000
Mayolene-16 Esi-16.897999	2.2500	0.0000	0.0000
Mayolene-16 Esi-21.803219	0.0000	1.0101	2.5899
Maytansine	1.1763	0.7290	0.9890
Maytansine Esi-13.948095	1.0130	1.1543	0.8249
Maytansine Esi-13.949999	0.0000	0.0000	3.6000
Maytansine Esi-14.2845	0.3738	0.0000	3.0019
MC-207,110	0.7779	2.3553	0.0000
m-Chlorophenylbiguanide	0.9685	1.1206	0.9297
MCPA-thioethyl	1.1883	0.0001	1.6987
MDL 73492 glucuronide	0.0002	0.0002	3.5996
Mebrofenin	0.5256	0.4385	2.3205
Mecarbinzid	0.5227	1.5854	1.1784
Mecarphon	1.4808	0.0000	1.2307
Mechlorethamine	0.0000	3.6000	0.0000
Mefruside	2.2494	0.0005	0.0005
Megalomicin B	2.2499	0.0001	0.0001
Megalomicin B Esi-13.776	2.2498	0.0002	0.0002
Megalomicin C1	2.2500	0.0000	0.0000
Megalomicin C1 Esi-14.65	2.2499	0.0001	0.0001
Megestrol	0.8967	1.0328	1.1324
Megestrol Esi-15.351	0.0001	0.0001	3.5996
Melilotin	0.9175	0.7886	1.3433
Melilotoside C	2.2500	0.0000	0.0000
Melizame	0.8259	2.2786	0.0000
Melizame Esi-19.399	2.2499	0.0001	0.0001
Melongoside L	0.0000	0.0000	3.5999
Meloxicam	0.0002	0.0002	3.5996
Merphalan	2.2497	0.0002	0.0002
Mesoporphyrin IX	0.0002	3.5995	0.0002
Met-Abu-OH	0.0002	0.0002	3.5996
Metalaxyl-M	0.9612	1.1103	0.9518
Met Arg Arg	0.9084	1.0786	1.0681
Met Arg His	2.2498	0.0002	0.0002
Met Gln Thr	1.4256	0.0000	1.3190
Met Glu Trp	2.2500	0.0000	0.0000
Methacrifos	0.0000	0.0000	3.5999
Methamidophos	0.0000	0.0000	3.6000
Methaphenilene	1.3865	0.8292	0.5524
Methional diethyl acetal	0.8340	0.9362	1.3294
Methional diethyl acetal Esi-9.087999	0.0000	0.0000	3.5999
Methionyl butyrate	0.5838	1.2183	1.4477
Methionyl-Cysteine	1.2362	0.0000	1.6220
Methionyl-Methionine	0.9225	0.8076	1.3163
Methiothepin	0.0001	3.5999	0.0001
Methitural	1.0304	0.8587	1.0927
Methoprene acid	0.9501	1.0127	1.0672
Methoxybrassenin A	1.4167	0.0000	1.3332
Methoxychlor	2.2499	0.0001	0.0001
Methyl 3,4,5-trimethoxycinnamate	2.2497	0.0002	0.0002
Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester	0.0001	0.0001	3.5998
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside	0.9188	0.9918	1.1380
Methyl 4-chloro-1H-indole-3-acetate	1.0506	0.9914	0.9277
Methyl 4-chloro-1H-indole-3-acetate Esi-5.3763795	0.9440	0.9674	1.1222
Methyl 5-(1-Propynyl)-2-thiophenepropanoate	1.3029	0.0000	1.5153
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	0.0001	0.0001	3.5997
Methyl Arachidonyl Fluorophosphonate	0.9042	0.8414	1.3119
Methyl Arachidonyl Fluorophosphonate Esi-9.5859995	0.0000	0.0000	3.6000
Methyl Arachidonyl Fluorophosphonate Esi-9.839999	0.0000	3.6000	0.0000
Methylcobalamin	0.0000	3.6000	0.0000
Methylergonovine	1.0680	0.0000	1.8911
Methyl hydrogen fumarate	2.2500	0.0000	0.0000
Methyl hydrogen fumarate Esi-0.8059999	2.2500	0.0000	0.0000
Methyl hydrogen fumarate Esi-0.81276923	2.0643	0.0000	0.2972
Methyl N-methylanthranilate	1.1705	1.1411	0.5861
Methyl red	0.4633	1.2022	1.6565
Methyl salicylate O-[rhamnosyl-(1-6)-glucoside]	2.2500	0.0000	0.0000
Methyprylon	0.0006	0.0006	3.5985
Metixene	0.2611	1.4634	1.7188
Met Leu Trp	0.7966	2.3253	0.0001
Metobromuron	0.8436	2.2503	0.0000
Metominostrobin	1.2116	0.9399	0.7217
Met Pro Met	2.2499	0.0001	0.0001
Met Tyr Phe	0.5130	1.4312	1.3480
Met Tyr Phe Esi-18.509	0.0001	3.5998	0.0001
Mezerein	2.2500	0.0000	0.0000
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)	0.3688	0.4927	2.5171
MG(18:1(11E)/0:0/0:0)[rac]	1.0365	1.0101	0.9315
MG(18:1(11E)/0:0/0:0)[rac] Esi-20.621	0.0001	0.0001	3.5998
MG(18:2(9Z,12Z)/0:0/0:0)[rac]	0.2316	0.7368	2.4926
MG(18:2(9Z,12Z)/0:0/0:0)[rac] Esi-19.755	2.2499	0.0001	0.0001
MG(22:1(13Z)/0:0/0:0)	2.2500	0.0000	0.0000
MGDG(16:0/18:1(9Z))	0.0001	3.5996	0.0001
m-Hydroxydiphenyldimercury(1+)	1.2598	1.5843	0.0000
m-Hydroxydiphenyldimercury(1+) Esi-0.691	0.0001	0.0001	3.5998
Mibefradil	1.0366	1.0715	0.8700
Mibefradil Esi-11.61038	1.5393	0.0000	1.1371
Mibefradil Esi-11.611503	1.1623	1.7402	0.0000
Miconioside A	0.7053	0.8747	1.5968
Microcystin LR	1.0446	0.0000	1.9286
Minabeolide-7	2.2500	0.0000	0.0000
Minosaminomycin	0.5330	1.5480	1.1992
Minoxidil-O-glucuronide	0.5556	1.4070	1.3040
M(IP)2C(d18:0/16:0)	2.2500	0.0000	0.0000
M(IP)2C(d18:0/16:0) Esi-15.441	0.0000	3.6000	0.0000
Mipafox	1.4409	0.0000	1.2946
Mipafox Esi-10.771502	0.6978	2.4834	0.0000
Mipafox Esi-8.195	0.0000	3.5999	0.0000
Mipafox Esi-8.878	0.0003	3.5992	0.0003
MIPC(t20:0/18:0(2OH))	2.2500	0.0000	0.0000
MIPC(t20:0/20:0(2OH))	1.1429	0.9149	0.8564
MIPC(t20:0/20:0(2OH)) Esi-15.387	2.2500	0.0000	0.0000
MIPC(t20:0/20:0(2OH)) Esi-15.387999	2.2500	0.0000	0.0000
MIPC(t20:0/24:0(2OH))	2.2500	0.0000	0.0000
Misoprostol (free acid)	0.0000	3.6000	0.0000
Mitoxantrone dicarboxylic acid	0.6807	1.3723	1.1386
Momordicilin	2.2500	0.0000	0.0000
Monocrotaline	2.2500	0.0000	0.0000
Monocrotophos	0.9345	2.1047	0.0000
Monodeallydihydroxyalmitrine	1.2543	1.0051	0.5880
Montanin	0.0000	0.0000	3.6000
Montbretin A	1.0532	1.9148	0.0001
Morellin	0.8030	1.4370	0.8781
Mosapride	0.0000	0.0000	3.6000
Moxifloxacin	2.2500	0.0000	0.0000
Mulberrofuran P	2.2499	0.0001	0.0001
Mulberrofuran S	2.2500	0.0000	0.0000
Mulberrofuran T	0.9192	0.0000	2.1293
Mupirocin	0.0000	0.0000	3.6000
MurAc(oyl-L-Ala-D-?-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undecaprenol	1.0860	0.9530	0.9094
Muricatalin	2.2499	0.0001	0.0001
Muricatenol	2.2497	0.0002	0.0002
Muricatenol Esi-20.944998	0.0002	0.0002	3.5994
Musca-aurin-I	1.6359	0.0000	0.9825
MY-5445	1.0363	0.9608	0.9812
Mycalamide B	0.8839	1.1728	1.0130
Mycalolide B	2.2499	0.0001	0.0001
Mycolipanolic acid (C27)	0.8902	1.0315	1.1442
Myricanol 5-(6-galloylglucoside)	2.2500	0.0000	0.0000
Myricanol 5-(6-galloylglucoside) Esi-5.625	2.2497	0.0002	0.0002
Myricanol 5-beta-sophoroside	1.5085	0.0000	1.1864
Myricanol 5-beta-sophoroside Esi-14.362578	1.0478	1.1055	0.8179
Myristoleyl linoleate	0.0000	0.0000	3.6000
Myristoleyl linoleate Esi-19.116375	1.0791	1.8734	0.0001
Myxochelin B	0.0001	1.8314	1.7686
N17-Dimethylindole-3-carboxaldehyde	0.5285	1.2920	1.4623
N1-Acetylthermospermidine	2.2500	0.0000	0.0000
N1-Acetylthermospermidine Esi-12.920054	0.9701	1.0019	1.0459
N1-Acetylthermospermidine Esi-18.22554	0.6155	1.3857	1.2296
N-(1-Deoxy-1-fructosyl)methionine	0.7946	1.2930	1.0357
N-(1-Deoxy-1-fructosyl)methionine Esi-12.818358	0.5503	1.5916	1.1279
N-(1-Deoxy-1-fructosyl)tryptophan	0.0001	0.0001	3.5997
N-(1-Deoxy-1-fructosyl)tryptophan Esi-17.592	0.0001	0.0001	3.5997
N1,N4-Diacetylsulfanilamide	2.2487	0.0010	0.0010
N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine	2.2500	0.0000	0.0000
N1,N5,N10-Triferuloyl spermidine	0.0000	1.8469	1.7531
N1,N5,N10-Triferuloyl spermidine Esi-14.339803	0.8659	2.2145	0.0000
N1,N5-Tri-di(hydroxyferuloyl)-N10-sinapoyl-spermidine	2.2499	0.0001	0.0001
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	1.3219	1.4849	0.0000
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine Esi-23.576998	2.2500	0.0000	0.0000
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2-yl)-guanidine	2.2499	0.0000	0.0000
N-[2-(4-Chloro-phenyl)-acetyl]-N^-(4,7-dimethyl-quinazolin-2-yl)-guanidine Esi-17.579546	2.1240	0.2016	0.0000
N2-Acetyl-L-aminoadipate	0.7564	0.0000	2.3897
N2-Acetyl-L-aminoadipate Esi-1.2581818	0.9762	0.0000	2.0381
N-(2-fluro-ethyl) arachidonoyl amine	0.0000	0.0000	3.6000
N-(2-phenylethyl)-Indomethacin amide	0.0000	3.6000	0.0000
N3^-Acetylapramycin	2.2500	0.0000	0.0000
N3^-Acetylneomycin	0.0001	0.0001	3.5997
N-(3-pyridyl)-Indomethacin amide	2.2495	0.0004	0.0004
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP)	0.9299	1.1085	1.0037
N- (3-Trifluoromethylphenyl)Piperazine (TFMPP) Esi-9.168876	2.2500	0.0000	0.0000
N-(4-Chloro-3-methyl-5-isothiazolyl)-N-methyl-2-[p-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]phenyl]acetamide	1.2229	0.2014	1.4420
N6^-Acetylkanamycin-B	0.0001	3.5998	0.0001
N6-Carbamoyl-DL-Lysine	0.0001	0.0001	3.5997
N-Ac-Asp-Glu-Val-Asp-CHO	1.2913	0.7886	0.7454
NAc-DNP-Cys	0.0003	0.0003	3.5992
N-Acetyl-9-O-lactoylneuraminic acid	0.0000	3.5999	0.0000
N-Acetylcarbocysteine	1.3168	0.0000	1.4931
N-Acetyl-D-galactosaminyldiphosphoundecaprenol	0.9955	0.9798	1.0275
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine	2.2499	0.0000	0.0000
(N-Acetylglucosaminyl)2-diphosphodolichol	0.0000	3.5999	0.0000
N-Acetyl-leu-leu-leu-tyr-amide	1.0006	0.0000	1.9991
Nafcillin	1.2592	0.0000	1.5852
Nandrolone decanoate	2.2500	0.0000	0.0000
Nandrolone decanoate Esi-20.410997	0.0001	3.5998	0.0001
Na-p-Hydroxycoumaroyltryptophan	1.9254	0.5193	0.0000
Na-p-Hydroxycoumaroyltryptophan Esi-17.591	2.2498	0.0001	0.0001
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoyl-N^^-diethylethylenediamine	1.7312	0.8300	0.0000
N^-arachidonoyl-N^^-diethyl ethylene diamine; N^-arachidonoyl-N^^-diethylethylenediamine Esi-19.133572	2.2500	0.0000	0.0000
N-arachidonoyl tyrosine	1.1488	0.9718	0.7901
Narbomycin	2.2500	0.0000	0.0000
Narcissidine	1.0095	0.0000	1.9848
N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	1.6852	0.0001	0.9036
Nb-Palmitoyltryptamine	2.2499	0.0000	0.0000
Nb-Pentacosanoyltryptamine	1.1537	1.7540	0.0000
Nb-Stearoyltryptamine	0.0001	3.5998	0.0001
N-Deacetylketoconazole	2.2497	0.0003	0.0003
N-Dealkylzuclopenthixol	1.2409	0.0000	1.6146
N-Desethylquinagolide glucuronide	1.4730	1.2431	0.0000
N-Desethylquinagolide sulfate	1.1312	0.7922	0.9979
N-Desethylquinagolide sulfate Esi-19.12	2.2498	0.0001	0.0001
N-Desmethylmifepristone (RU 42633)	2.2498	0.0002	0.0002
N-Desmethylzafirlukast	1.4107	1.3429	0.0001
N-Didesethylquinagolide sulfate	0.0002	3.5995	0.0002
N-(diphenylmethylene) Glycine benzyl ester	2.2500	0.0000	0.0000
N-docosahexaenoyl glutamic acid	0.9267	1.0919	1.0254
N-docosahexaenoyl glutamic acid Esi-12.854999	2.2499	0.0001	0.0001
N-docosahexaenoyl glutamic acid Esi-13.686222	0.8915	1.1897	0.9838
N-docosahexaenoyl glutamine	0.7313	0.8011	1.6288
Neferine	0.0000	2.3281	1.2719
Nelfinavir	2.2500	0.0000	0.0000
Neoacrimarine I	1.6400	0.9759	0.0000
Neoacrimarine K	0.0000	0.0000	3.5999
Neoannonin B	2.2499	0.0001	0.0001
Neoarctin B	0.8431	1.1128	1.1382
Neoarctin B Esi-14.067717	0.9242	1.6605	0.4609
Neoarctin B Esi-15.3102	0.4062	1.2681	1.6820
Neoarctin B Esi-19.156	2.2497	0.0003	0.0003
Neocarzinostatin chromophore	2.2500	0.0000	0.0000
(-)-Neolinderatin	0.0000	1.9139	1.6861
Neotame	1.1718	0.8118	0.9134
Neotame Esi-9.581	2.2499	0.0001	0.0001
N-Ethylmaleimide-S-glutathione	0.0001	3.5997	0.0001
Neu5Gc?2-3Gal?1-4GlcNAc?-Sp	1.0888	0.7984	1.0595
Neu5Gc?2-3Gal?1-4Glc?-Sp	2.2500	0.0000	0.0000
NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	2.2498	0.0002	0.0002
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	1.3839	0.0000	1.3858
NeuAcalpha2-8NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)	2.2499	0.0000	0.0000
NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	0.0001	0.0001	3.5998
Nevadensin 5-gentiobioside	2.2500	0.0000	0.0000
Nevirapine	1.4603	0.0001	1.2635
N-Feruloylaspartic acid	1.1023	0.8623	0.9741
N-Feruloylaspartic acid Esi-8.180532	0.3883	1.1398	1.8390
N-formylmaleamic acid	1.4998	0.5729	0.6275
N-Formylmethionyl-Leucylphenylalanine	0.4192	1.3560	1.5733
N-Formyl-norleucyl-leucyl-phenylalanyl-methylester	0.6562	1.9698	0.5803
Niazimin A	0.7797	1.1178	1.2347
Nicarbazin	0.0002	3.5994	0.0002
Niguldipine Esi-11.651002	0.2877	1.3584	1.7812
Nitazoxanide	1.1005	0.8553	0.9838
NKH477	1.0747	0.9299	0.9505
NKH477 Esi-13.966839	1.0281	0.9706	0.9844
N-linolenoyl-glutamine	0.8008	1.0864	1.2323
N-linolenoyl-glutamine Esi-10.548	0.0000	1.0149	2.5851
N-linolenoyl-glutamine Esi-11.3399	0.4992	1.4357	1.3656
N-Methyl-2,3,7,8-tetramethoxy-5,6-dihydrobenzophenathridine-6-ethanoic acid	1.6451	0.5257	0.4421
N-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one	0.0004	3.5989	0.0004
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine	2.2500	0.0000	0.0000
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi-0.657	0.0003	0.0003	3.5993
N,N^-Bis(g-glutamyl)-3,3^-(1,2-propylenedithio)dialanine Esi-15.294001	2.2498	0.0002	0.0002
n,n^-dinitrosopiperazine	2.2500	0.0000	0.0000
n,n^-dinitrosopiperazine Esi-3.2796123	1.1482	0.8226	0.9404
N,N^-Diphenyl-p-phenylenediamine	0.0001	1.1204	2.4795
N-Nitrosotomatidine	0.0001	3.5999	0.0001
N-Nitrosotomatidine Esi-18.211845	0.5797	2.6724	0.0001
N-oleoyl asparagine	0.0003	0.0003	3.5992
N-Oleoyl Dopamine	0.0001	0.0001	3.5997
N-oleoyl glutamine	1.0554	0.9763	0.9350
N-oleoyl leucine	0.9814	0.0000	2.0297
Nomilinic acid	0.0002	0.0002	3.5994
Nonoxynol-9	0.7824	1.1059	1.2423
Norbinaltorphimine	0.8490	0.0000	2.2416
Norepinephrine sulfate	0.9964	0.9658	1.0400
Norfuraneol	2.0052	0.0000	0.3917
Nostocyclopeptide A1	1.3110	0.6983	0.8041
Nostoxanthin sulfate	0.0000	3.5999	0.0000
Nostoxanthin sulfate Esi-17.429855	2.2500	0.0000	0.0000
Notoginsenoside R4	1.2227	0.0000	1.6437
Notoginsenoside R9	0.6803	0.8580	1.6535
N-palmitoyl leucine	0.3091	0.9516	2.1539
N-palmitoyl leucine Esi-19.009	0.0001	0.0001	3.5998
N-palmitoyl phenylalanine	2.2492	0.0006	0.0006
N-palmitoyl tryptophan	2.2500	0.0000	0.0000
NPC	2.2500	0.0000	0.0000
N-Phosphohypotaurocyamine	0.0002	0.0002	3.5994
NSC 23766	0.0000	0.0000	3.6000
N-stearoyl alanine	0.6696	1.2721	1.2565
N-stearoyl proline	2.2499	0.0001	0.0001
N-stearoyl proline Esi-18.875751	1.0917	1.8533	0.0000
N-stearoyl proline Esi-18.880999	0.0001	0.0001	3.5998
N-stearoyl tryptophan	2.2500	0.0000	0.0000
N-tryptophanyl-35-aminobacteriohopane-32,33,34-triol	2.2500	0.0000	0.0000
NU 7026 Esi-13.103081	0.6107	1.1933	1.4295
N-Valerylglycine methyl ester	1.0934	0.8984	0.9521
N-Valerylglycine methyl ester Esi-5.969946	1.1918	0.4847	1.2085
NVP-BEZ235	0.0000	1.6855	1.9144
NVP-BEZ235 Esi-19.376516	0.5975	1.4364	1.2076
O-Acetylcypholophine Esi-13.734918	0.8296	1.2980	0.9747
O-Acetylcypholophine Esi-19.113197	2.2500	0.0000	0.0000
Ochrolifuanine A	2.2500	0.0000	0.0000
Octadecanedioic acid	1.1673	0.0000	1.7323
Octadecanoic acid-1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester	2.2499	0.0000	0.0000
Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid	0.0002	1.8248	1.7749
Octamethyltrisiloxane	0.4800	1.1166	1.7154
Octinoxate	0.8532	1.0570	1.1779
o-Hydroxyfinasteride	1.1862	0.0000	1.7021
Oil Orange SS	1.3323	0.0001	1.4683
Okanin 4^-alpha-L-arabinofuranosyl-(1-4)-glucoside	2.2499	0.0001	0.0001
Olanzapine	0.8149	1.1508	1.1452
Olanzapine Esi-11.483528	0.4068	1.4091	1.5399
Oleoyl 3-carbacyclic Phosphatidic Acid	0.9839	1.0180	1.0078
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-10.19755	1.0602	1.1017	0.8019
Oleoyl 3-carbacyclic Phosphatidic Acid Esi-9.697	0.0002	0.0002	3.5994
Olprinone	1.3731	0.0000	1.4031
O-Methylisoetharine sulfate	0.8593	1.1456	1.0796
O-Methylsomniferine	1.0510	1.1030	0.8154
Omphalotin A	2.2495	0.0004	0.0004
Orientaloside	0.0001	0.0001	3.5997
Oryzalin	2.2500	0.0000	0.0000
Oryzanol A	1.7924	0.7321	0.0000
Oscillatoxin A	1.0169	0.9642	1.0087
Oscillatoxin A Esi-13.667364	0.7203	1.2387	1.2089
Oseltamivir	1.0184	1.1800	0.7905
Oseltamivir Esi-12.221	2.2500	0.0000	0.0000
Oxaburimamide	2.2493	0.0005	0.0005
Oxaburimamide Esi-3.28	2.2496	0.0003	0.0003
Oxadiazon	2.2499	0.0001	0.0001
Oxepahyperforin	0.8297	2.2725	0.0000
Oxotolrestat glucuronide	0.0008	0.0008	3.5978
Oxyphencyclimine	0.8445	1.0700	1.1789
Oxytetracycline	1.8475	0.0000	0.6440
Oxytetracycline Esi-1.5249999	0.0000	0.0000	3.6000
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	0.4462	0.0000	2.8860
PA(12:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-18.22917	0.3917	1.8339	1.1394
PA(13:0/18:3(6Z,9Z,12Z))	2.2499	0.0001	0.0001
PA(18:3(9Z,12Z,15Z)/0:0)	1.0224	1.9641	0.0000
PA(18:3(9Z,12Z,15Z)/0:0) Esi-15.619001	2.2499	0.0001	0.0001
PA(20:3(8Z,11Z,14Z)/13:0)	1.1389	1.7777	0.0000
PA(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)	0.0000	3.5999	0.0000
PA(22:2(13Z,16Z)/20:0)	2.2500	0.0000	0.0000
PA(22:2(13Z,16Z)/20:0) Esi-17.563997	2.2499	0.0001	0.0001
PA(22:4(7Z,10Z,13Z,16Z)/0:0)	0.8731	0.0000	2.2030
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	1.1430	0.9039	0.8673
Palmitic acid	0.0000	1.7663	1.8337
Palmitoleoyl 3-carbacyclic Phosphatidic Acid	0.0002	0.0002	3.5994
Palmitoyl glucuronide	0.0001	0.0001	3.5997
Palmitoyl Serotonin	1.2338	0.7584	0.8675
Palmyramide A	0.0001	0.0001	3.5997
Pamidronate	0.5669	1.4164	1.2765
Panasenoside	2.2499	0.0001	0.0001
Panaxadiol	1.2942	0.0002	1.5291
Pandaroside B	2.2500	0.0000	0.0000
Panfuran S	1.1899	1.1364	0.5598
Pantothenic Acid	1.2943	0.0000	1.5292
Pantothenic Acid Esi-2.43	2.2500	0.0000	0.0000
PA(O-20:0/0:0)	1.3664	1.4138	0.0000
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.4616	0.7320	0.5294
PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-23.697498	1.1350	0.0000	1.7839
PA(P-16:0/0:0)	1.2643	0.0000	1.5772
PA(P-16:0/15:1(9Z))	1.0988	0.9526	0.8894
Patellamide C	1.4978	1.2035	0.0000
Patellamide C Esi-14.6015	1.3638	0.0000	1.4179
Patellamide C Esi-14.832718	1.0648	0.9548	0.9415
Patellamide C Esi-15.121277	1.3059	0.0000	1.5106
Paucin	2.2493	0.0006	0.0006
p-Coumaroylagmatine	2.2500	0.0000	0.0000
p-Cresol	0.7308	1.0787	1.3520
PD 123177	1.3010	0.9369	0.5815
PD 173074	1.3692	0.0000	1.4092
PE(13:0/0:0)	2.2499	0.0001	0.0001
PE(13:0/0:0) Esi-8.8502	0.0001	1.2535	2.3464
PE(15:0/16:0)[U]	2.2499	0.0001	0.0001
PE(18:0/0:0)	1.0140	0.9665	1.0112
PE(18:0/0:0) Esi-13.6850605	0.9186	1.1134	1.0169
PE(19:0/0:0)	0.9976	1.4455	0.5584
PE(19:0/0:0) Esi-15.639	0.0000	0.0000	3.6000
PE(19:0/19:0)[U]	2.2499	0.0001	0.0001
PE(20:0/0:0)	1.1388	0.9463	0.8316
PE(20:0/0:0) Esi-12.4609995	0.0001	0.0001	3.5998
PE(20:0/0:0) Esi-15.399	0.0000	0.0000	3.6000
PE(20:0/0:0) Esi-15.449843	1.1686	1.7302	0.0000
PE(20:0/0:0) Esi-15.505648	0.9566	1.0705	0.9989
PE(20:0/0:0) Esi-16.537123	1.0081	1.9871	0.0000
PE(20:1(11Z)/0:0)	1.0433	0.9556	0.9751
PE(20:1(11Z)/0:0) Esi-15.071059	0.9759	1.0282	1.0104
PE(20:2(11Z,14Z)/0:0)	1.0023	1.0027	0.9937
PE(20:2(11Z,14Z)/0:0) Esi-13.972	0.0000	0.0000	3.6000
PE(20:2(11Z,14Z)/0:0) Esi-13.972372	0.9134	0.0000	2.1385
PE(20:2(11Z,14Z)/0:0) Esi-13.973057	1.0109	1.0147	0.9678
PE(20:2(11Z,14Z)/0:0) Esi-14.2688465	0.6751	1.1065	1.4133
PE(20:3(8Z,11Z,14Z)/0:0)	1.0642	0.9322	0.9651
PE(20:3(8Z,11Z,14Z)/0:0) Esi-14.924429	1.6257	0.0000	0.9988
PE(20:5(5Z,8Z,11Z,14Z,17Z)/12:0)	1.8848	0.5843	0.0000
PE(22:0/0:0)	2.2500	0.0000	0.0000
PE(22:4(7Z,10Z,13Z,16Z)/0:0)	1.0300	1.1786	0.7734
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.98833	0.9327	1.1188	0.9889
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.015497	1.0706	1.8870	0.0000
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.241123	0.8547	0.0000	2.2324
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.242999	2.2500	0.0000	0.0000
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.243	2.2500	0.0000	0.0000
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.530001	0.0000	0.0000	3.6000
PE(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-14.641	2.2500	0.0000	0.0000
PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))	2.2500	0.0000	0.0000
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	0.4382	0.0000	2.8988
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) Esi-14.486	0.0000	0.0000	3.5999
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	2.2500	0.0000	0.0000
PE-Cer(d14:1(4E)/16:0)	0.0000	0.0000	3.6000
PE-Cer(d14:1(4E)/18:0(2OH))	0.0000	3.6000	0.0000
PE-Cer(d14:2(4E,6E)/16:0(2OH))	0.0000	0.8916	2.7084
PE-Cer(d16:1(4E)/16:0)	0.0002	0.0002	3.5995
PE-Cer(d16:2(4E,6E)/16:0)	2.2500	0.0000	0.0000
PE-Cer(d16:2(4E,6E)/16:0) Esi-18.225002	0.0000	0.0000	3.5999
Pederin	0.9739	0.9537	1.0881
Pederin Esi-13.385335	1.0965	1.1792	0.6663
Pederin Esi-13.51	0.0000	3.6000	0.0000
Pederin Esi-14.612331	0.0000	2.1482	1.4518
Pederin Esi-14.62	2.2500	0.0000	0.0000
Pederin Esi-15.964503	2.2500	0.0000	0.0000
Pederin Esi-16.31723	1.4964	0.0000	1.2057
Pederin Esi-16.318275	1.0886	0.9755	0.8828
Pencycuron	0.9780	0.8615	1.1738
Penicilloic acid of 5-OH	0.0001	3.5998	0.0001
Pentacarboxyl porphyrinogen III	0.0004	0.0004	3.5989
PE(O-16:0/16:0)	2.2500	0.0000	0.0000
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	0.0000	2.0388	1.5612
PE(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi-18.137074	0.5365	0.0000	2.7415
PE(O-18:0/0:0)	1.5366	1.1414	0.0000
PE(O-18:0/0:0) Esi-15.567857	1.1520	0.0000	1.7567
PE(P-16:0/0:0)	1.2424	1.2170	0.3952
PE(P-16:0/0:0) Esi-15.062601	0.9900	0.0000	2.0159
PE(P-18:0/0:0)	0.9290	0.9736	1.1400
PE(P-20:0/20:3(8Z,11Z,14Z))	0.0001	0.0001	3.5999
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	2.2500	0.0000	0.0000
Perakine	0.9857	1.2584	0.7645
Perazine	0.0003	0.0003	3.5993
Perfluoroacetyl chloride	0.7315	0.0000	2.4297
Perfluoroacetyl chloride Esi-0.8309999	0.0000	3.5999	0.0000
Perfluorooctanesulfonic acid	0.0001	0.0001	3.5996
Pergolide sulfone	2.2499	0.0001	0.0001
Pergolide sulfone Esi-10.179499	0.7499	0.0000	2.4001
Periandrin V	2.2498	0.0001	0.0001
Periciazine	1.2664	0.7920	0.7817
Permetin A	1.2364	0.7711	0.8507
Permetin A Esi-16.517	2.2500	0.0000	0.0000
Perphenazine	0.0003	3.5993	0.0003
Petasitenine	1.2407	1.6149	0.0000
Petromyzonol	0.9856	0.8201	1.2029
PG(12:0/16:0)	1.4214	1.3258	0.0000
PG(12:0/17:2(9Z,12Z))	0.0001	0.0001	3.5998
PG(13:0/20:4(5Z,8Z,11Z,14Z))	1.4247	0.0001	1.3204
PG(14:1(9Z)/12:0)	2.2494	0.0005	0.0005
PG(14:1(9Z)/14:1(9Z)) Esi-23.622	2.2498	0.0001	0.0001
PG(15:0/12:0)	0.0001	3.5999	0.0001
PG(15:0/16:0)	0.9458	1.2389	0.8478
PG(15:0/16:0) Esi-10.005	2.2498	0.0002	0.0002
PG(17:1(9Z)/22:2(13Z,16Z))	2.2498	0.0002	0.0002
PG(18:1(9Z)/0:0)	0.0000	3.5999	0.0000
PG(18:4(6Z,9Z,12Z,15Z)/12:0)	2.2499	0.0000	0.0000
PG(20:0/0:0)	0.8051	2.3118	0.0000
PG(21:0/0:0)	0.0003	3.5993	0.0003
PG(22:1(11Z)/22:0)	0.9729	0.9619	1.0815
PG(22:2(13Z,16Z)/0:0)	2.2500	0.0000	0.0000
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)	2.2500	0.0000	0.0000
PGF2?-11-acetate	0.0001	0.0001	3.5997
PGF2?-11-acetate methyl ester	0.0000	1.8188	1.7811
PGF2?-11-acetate methyl ester Esi-19.169	2.2499	0.0000	0.0000
PGI2-EA	0.5836	1.3400	1.3263
PG(P-16:0/18:4(6Z,9Z,12Z,15Z))	0.0000	0.0000	3.6000
PG(P-20:0/18:3(9Z,12Z,15Z))	2.2500	0.0000	0.0000
PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	2.2498	0.0001	0.0001
Phaclofen	1.0099	1.0155	0.9687
Phalaenopsine T	1.0199	1.0587	0.9095
Phalloidin	2.2500	0.0000	0.0000
Phe4Cl-Nap-OH	2.2500	0.0000	0.0000
Phe4Cl-Phe4Cl-OH	2.2495	0.0004	0.0004
Phe Arg Arg	1.0927	0.8784	0.9733
Phe Arg Arg Esi-13.385848	1.2830	0.0000	1.5473
Phe Arg Arg Esi-13.995496	0.0000	1.9353	1.6647
Phe Arg Val	2.2498	0.0002	0.0002
Phe Asp Asn	1.3731	0.0000	1.4031
Phe Cys Lys	1.0363	0.9547	0.9871
Phe Cys Lys Esi-19.116	2.2498	0.0001	0.0001
Phe Cys Trp	1.3024	0.0000	1.5161
Phe His Glu	1.8187	0.6900	0.0000
Phe Lys Lys	0.9951	2.0079	0.0000
Phe Met Phe	2.2499	0.0001	0.0001
Phenanthrene-4-carboxylate	1.5037	0.5433	0.6508
Phe-Nap-OH	2.1334	0.1865	0.0000
Phenisopham	1.3255	0.7658	0.7135
Phenmedipham	2.2500	0.0000	0.0000
Phenylamil	1.2065	0.0000	1.6696
Phenylephrine 3-O-sulfate	0.0000	2.0222	1.5778
Phenyl sulfate	0.7208	0.6468	1.7999
Phenyl vinyl sulfide	0.6646	1.3553	1.1814
Phenyl vinyl sulfide Esi-0.77684623	1.1831	1.7071	0.0000
Phe Pro Glu	0.3449	1.4686	1.5796
Phe Trp Leu	2.2499	0.0001	0.0001
Phe Trp Trp	2.2500	0.0000	0.0000
Phe Trp Trp Esi-14.903789	0.9816	1.2770	0.7525
Philanthotoxin	1.0253	1.0409	0.9187
Philanthotoxin Esi-15.965054	1.1120	1.0062	0.8145
Phlegmarine	1.0403	0.9219	1.0137
Phlorisobutyrophenone 2-glucoside	2.2499	0.0000	0.0000
PHOME	1.1580	0.8058	0.9415
Phoslactomycin B	0.9307	1.0287	1.0822
Phoslactomycin B Esi-13.793	2.2500	0.0000	0.0000
Phosphatidyl glycerol Esi-1.2580001	0.0001	0.0001	3.5998
Phospho-L-serine	1.1574	0.8661	0.8821
Phthalazinone pyrazole	1.0364	0.9481	0.9936
Phthalic acid Mono-2-ethylhexyl Ester	0.9748	0.9997	1.0406
Phthalic acid Mono-2-ethylhexyl Ester Esi-21.041466	1.5704	0.0000	1.0874
Phthalic acid Mono-2-ethylhexyl Ester Esi-22.013496	1.5856	0.0000	1.0630
p-Hydroxyfosinopril	1.1532	1.7548	0.0000
p-Hydroxyfosinopril Esi-14.575	2.2500	0.0000	0.0000
p-Hydroxygliquidone	0.0001	3.5998	0.0001
p-Hydroxytiaprofenic acid	0.9750	0.9167	1.1232
Phyllanthin	0.0000	3.5999	0.0000
Phyllanthusol A	0.0000	0.0000	3.5999
Phyllanthusol A Esi-15.091001	0.0001	3.5997	0.0001
Physalolactone	2.2500	0.0000	0.0000
Phytenic acid	1.4851	0.0001	1.2237
Phytyl phosphate	2.2498	0.0002	0.0002
PI(15:0/17:1(9Z))	0.0001	0.0001	3.5997
PI(16:1(9Z)/0:0)	0.9078	0.7359	1.4116
PI(16:1(9Z)/0:0) Esi-15.032	0.0000	3.5999	0.0000
PI(18:0/0:0)	0.0000	0.0000	3.6000
PI(18:0/22:0)	0.0000	2.1554	1.4446
PI(18:0/22:2(13Z,16Z))	0.7497	2.4004	0.0000
PI(18:0/22:2(13Z,16Z)) Esi-15.679	0.0001	0.0001	3.5999
PI(18:1(9Z)/0:0)	1.1581	1.7470	0.0000
PI(18:2(9Z,12Z)/0:0)	0.9991	0.0000	2.0014
PI(18:2(9Z,12Z)/0:0) Esi-14.804	0.0000	3.6000	0.0000
PI(18:3(9Z,12Z,15Z)/0:0)	0.4082	1.4904	1.4565
PI(19:1(9Z)/0:0)	2.2500	0.0000	0.0000
PI(19:1(9Z)/0:0) Esi-15.002001	2.2500	0.0000	0.0000
PI(20:1(11Z)/0:0)	0.0000	0.0000	3.5999
PI(22:0/19:0)	2.2499	0.0001	0.0001
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	1.5457	0.0000	1.1269
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.567055	1.0947	1.0071	0.8414
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.808	2.2499	0.0000	0.0000
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-14.902002	0.0000	0.0000	3.6000
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.244	0.0001	0.0001	3.5998
PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Esi-15.258001	0.0000	0.0000	3.6000
Picosulfate	1.2751	0.0000	1.5599
PI(O-16:0/0:0)	0.0801	1.5890	1.8828
PI(O-16:0/17:1(9Z))	1.0519	1.9169	0.0000
PI(P-16:0/12:0)	0.3704	1.5338	1.4736
PI(P-16:0/16:1(9Z))	0.0001	3.5998	0.0001
PI(P-16:0/16:1(9Z)) Esi-18.521	2.2500	0.0000	0.0000
PIP(18:3(6Z,9Z,12Z)/18:1(9Z))	1.1584	0.0000	1.7465
PI(P-20:0/20:4(5Z,8Z,11Z,14Z))	1.3963	1.3659	0.0000
PI(P-20:0/22:4(7Z,10Z,13Z,16Z))	1.3960	1.3663	0.0000
PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) Esi-14.531585	1.5255	0.0000	1.1593
PIP3(18:0/18:1(9Z))	0.0000	3.6000	0.0000
Pipazethate	2.2499	0.0000	0.0000
Piperochromenoic acid	2.2499	0.0000	0.0000
Piperolactam C	2.2498	0.0002	0.0002
Piperonyl sulfoxide	0.7180	2.4512	0.0000
Pipobroman	1.1715	0.0000	1.7256
Pirimiphos-ethyl	0.8932	1.0510	1.1198
Piscerythramine	1.3886	0.7704	0.6079
Piscerythramine Esi-15.218	0.0002	0.0002	3.5996
Pivmecillinam	0.0001	0.0001	3.5997
Pivmecillinam Esi-8.838	0.0006	0.0006	3.5983
Platycodin C Esi-14.201999	2.2499	0.0001	0.0001
Platycodin D	1.0125	1.9800	0.0000
Plitidepsin	0.9536	0.7809	1.2934
Plocamene B	1.0948	0.9152	0.9331
Polysorbate 20	0.0001	0.0001	3.5997
Pomiferin	1.0485	1.0406	0.8818
Pomiferin Esi-15.308001	0.0000	0.0000	3.6000
Ponceau SX	0.0002	0.0002	3.5996
Posaconazole	2.2499	0.0001	0.0001
p-(Phenylazo)benzenesulfonic acid	1.3130	0.0000	1.4991
Pramipexole	0.0005	0.0005	3.5988
Prazepam	1.0224	0.7687	1.1954
Praziquantel	2.2500	0.0000	0.0000
Prednimustine	0.0000	3.5999	0.0000
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl-	2.2499	0.0001	0.0001
Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- Esi-16.603848	0.0001	0.9337	2.6661
Pregna-4,16-diene-3,11,20-trione	0.5883	1.2963	1.3624
Pregnenolone sulfate	0.8986	0.9911	1.1712
Pregnenolone sulfate Esi-18.647598	0.3872	1.6065	1.3740
Prekinamycin	2.2495	0.0004	0.0004
Prieuranin Acetate	2.2496	0.0003	0.0003
Proansamycin X	2.2500	0.0000	0.0000
Pro Arg Ile	0.0002	0.0002	3.5995
Probenecid	0.8141	1.1384	1.1590
Prochlorperazine sulfone	0.0000	3.5999	0.0000
Pro Glu Glu	2.2500	0.0000	0.0000
Pro Glu Glu Esi-18.266575	0.0294	1.9825	1.5704
Pro Glu Trp	0.9368	1.1632	0.9379
Pro His Arg	0.8473	1.3695	0.8749
Pro His His	0.4184	1.3847	1.5459
Pro Ile Lys	2.2500	0.0000	0.0000
Prolyl-Cysteine	1.0427	0.9594	0.9723
Prolyl-Methionine	2.2499	0.0001	0.0001
Pro Lys Gln	0.8005	1.2249	1.0942
Pro Lys Thr	0.8026	1.1933	1.1226
Promethazine sulfoxide	0.8790	1.0195	1.1741
Promethazine sulfoxide Esi-1.5336301	0.5621	1.3430	1.3576
Pro Met Thr	2.2500	0.0000	0.0000
Pro Met Tyr	0.3456	1.3490	1.6981
Pro Met Tyr Esi-18.5	0.0000	3.6000	0.0000
Propachlor	0.7376	0.0000	2.4199
Propicillan	1.0172	0.9819	0.9907
Propicillan Esi-0.9485713	0.0000	1.8606	1.7393
Prorocentrolide	0.0001	0.0001	3.5997
Prostaglandin E2-PEG11-biotin	1.1050	0.9983	0.8336
Prostaglandin E2-PEG11-biotin Esi-14.863946	1.1223	0.9620	0.8423
Prostaglandin E2-PEG11-biotin Esi-16.969559	1.4532	0.7141	0.5608
Prostaglandin E2-PEG11-biotin Esi-17.033998	2.2500	0.0000	0.0000
Prostalidin A Esi-5.978	2.2498	0.0001	0.0001
Prostalidin A Esi-6.4725	0.2974	1.5468	1.5773
Prothiocarb	0.0004	3.5990	0.0004
Protoverine	0.9125	2.1400	0.0000
Protoverine Esi-13.779785	0.9058	1.0528	1.0980
Pro Trp Tyr	0.7349	2.4241	0.0000
Pro Tyr Ile	0.9934	0.9817	1.0288
PS(15:0/12:0)	0.0001	3.5998	0.0001
PS(16:0/22:2(13Z,16Z))	1.5209	0.6080	0.5586
PS(16:0/22:2(13Z,16Z)) Esi-14.971	2.2499	0.0001	0.0001
PS(16:0/22:2(13Z,16Z)) Esi-15.417999	2.2500	0.0000	0.0000
PS(16:1(9Z)/22:2(13Z,16Z))	1.6396	0.9767	0.0000
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))	2.2500	0.0000	0.0000
PS(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) Esi-14.863	2.2500	0.0000	0.0000
PS(17:0/22:1(11Z))	0.0000	0.0000	3.6000
PS(17:0/22:1(11Z)) Esi-23.753	2.2500	0.0000	0.0000
PS(18:0/19:0)[U] Esi-14.462999	0.0000	0.0000	3.6000
PS(18:0/19:0)[U] Esi-14.772738	0.0000	1.6548	1.9452
PS(18:1(9Z)/18:2(9Z,12Z))[U]	1.0201	1.9678	0.0000
PS(18:1(9Z)/22:2(13Z,16Z))	1.0756	0.9855	0.8936
PS(18:2(9Z,12Z)/0:0)	0.0000	1.3052	2.2948
PS(18:2(9Z,12Z)/18:2(9Z,12Z))[U]	2.2492	0.0006	0.0006
PS(19:0/0:0)	1.7676	0.7718	0.0000
PS(19:0/0:0) Esi-14.080001	0.0000	0.0000	3.5999
PS(19:0/22:4(7Z,10Z,13Z,16Z))	0.0000	3.5999	0.0000
PS(19:1(9Z)/22:4(7Z,10Z,13Z,16Z))	2.2500	0.0000	0.0000
PS(20:0/0:0)	2.2500	0.0000	0.0000
PS(20:0/22:2(13Z,16Z))	2.2499	0.0001	0.0001
PS(20:1(11Z)/0:0)	2.2497	0.0002	0.0002
PS(20:2(11Z,14Z)/0:0)	1.2194	0.8119	0.8370
PS(20:2(11Z,14Z)/0:0) Esi-14.404	2.2500	0.0000	0.0000
PS(20:3(8Z,11Z,14Z)/0:0)	0.9400	0.9462	1.1498
PS(20:3(8Z,11Z,14Z)/0:0) Esi-14.658332	0.8908	1.1645	1.0102
PS(20:4(5Z,8Z,11Z,14Z)/0:0)	1.0163	0.8365	1.1375
PS(21:0/0:0)	2.2500	0.0000	0.0000
PS(21:0/0:0) Esi-15.392713	2.2500	0.0000	0.0000
PS(22:0/12:0)	1.5467	1.1253	0.0000
PS(22:1(11Z)/0:0)	0.0000	0.0000	3.5999
PS(22:2(13Z,16Z)/0:0)	2.2500	0.0000	0.0000
PS(22:2(13Z,16Z)/0:0) Esi-16.542263	2.2500	0.0000	0.0000
PS(22:4(7Z,10Z,13Z,16Z)/0:0)	1.0859	0.9088	0.9537
PS(22:4(7Z,10Z,13Z,16Z)/0:0) Esi-13.959272	1.0117	0.9911	0.9902
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/13:0)	1.0172	0.0000	1.9725
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))	2.2500	0.0000	0.0000
Pseudouridine	1.0609	0.7364	1.1662
Psilocybin	1.0179	1.0778	0.8936
PS(O-16:0/0:0)	1.0230	1.0879	0.8753
PS(O-18:0/0:0)	0.0000	3.6000	0.0000
PS(O-18:0/18:4(6Z,9Z,12Z,15Z))	0.0003	0.0003	3.5993
PS(P-16:0/18:4(6Z,9Z,12Z,15Z))	1.0999	0.9181	0.9220
PS(P-18:0/12:0)	0.0001	0.0001	3.5999
PS(P-18:0/20:4(5Z,8Z,11Z,14Z))	2.2499	0.0001	0.0001
PS(P-20:0/14:0)	0.2721	0.0000	3.1647
psychosine sulfate	2.2500	0.0000	0.0000
psychosine sulfate Esi-11.777	2.2500	0.0000	0.0000
PtdIns-(1,2-dioctanoyl)	1.3780	1.3951	0.0000
PtdIns-(3,4,5)-P3 (1-stearoyl, 2-arachidonoyl)	0.0001	0.0001	3.5996
Ptilosteroid C	2.2498	0.0002	0.0002
Pyrene-1,8-dione	0.0000	0.0000	3.5999
Pyridafenthion	1.0900	1.2196	0.6364
Pyridate	2.2499	0.0001	0.0001
Pyriminobac-methyl	0.0000	1.9407	1.6592
Pyrrhoxanthin	0.8089	2.3057	0.0000
Quercetin 3-(3^^,6^^-di-p-coumarylglucoside)	0.0002	0.0002	3.5994
Quercetin Tetramethyl (5,7,3^,4^) Ether	1.2251	1.6398	0.0000
Quillaic acid 3-[galactosyl-(1-2)-glucuronide]	2.2499	0.0001	0.0001
Quinagolide glucuronide	1.2926	0.8516	0.6802
Quinestrol	1.3094	1.5050	0.0000
Quinquenoside IV	0.0000	0.0000	3.6000
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	0.0000	0.0000	3.6000
R-3-(Methylthio)-1-hexanol	1.0277	1.9556	0.0000
R-4-benzyl-3-((R)-3-hydroxy-2,2-dimethyloctanoyl)oxazolidin-2-one	0.0003	0.0003	3.5993
Ranolazine	0.2813	1.8531	1.2969
(R)-Apiumetin	1.1204	0.9140	0.8934
(R)C(R)S-S-Propylcysteine sulfoxide	1.5681	0.0000	1.0911
(R)C(R)S-S-Propylcysteine sulfoxide Esi-4.974923	0.0000	2.2896	1.3104
(R)C(R)S-S-Propylcysteine sulfoxide Esi-5.548	2.2498	0.0001	0.0001
Rebaudioside C	2.2499	0.0001	0.0001
Rebaudioside D	2.2499	0.0001	0.0001
Red chlorophyll catabolite	1.1275	1.7959	0.0000
Rengasin trimethyl ether	2.2499	0.0000	0.0000
Renilla luciferin	0.7987	1.0752	1.2468
Renilla luciferin Esi-17.47116	0.9066	0.8746	1.2749
Renilla luciferin Esi-17.472998	0.0000	0.0000	3.6000
Rescinnamine	1.3148	0.4790	1.0173
Rescinnamine Esi-14.838336	0.8479	1.1211	1.1222
Rescinnamine Esi-15.041779	0.9812	0.9801	1.0500
Rescinnamine Esi-16.316877	1.2514	0.8389	0.7589
Reserpic acid	0.8048	0.7838	1.5285
Resiniferatoxin	2.2500	0.0000	0.0000
Resolvin E2	1.0513	1.1188	0.7991
Resorcinolnaphthalein	0.5754	1.3073	1.3721
(R)-(E)-Sulforaphene	0.0001	3.5998	0.0001
Retrofractamide D	1.4007	0.0001	1.3588
Rhein sulfate	0.0001	3.5998	0.0001
Rhizochalinin D	0.8073	0.0000	2.3084
Rhizochalinin D Esi-22.570372	0.8083	0.0000	2.3066
Rhizochalinin D Esi-23.732	2.2500	0.0000	0.0000
Ribavirin 5^-phosphate	2.2497	0.0002	0.0002
Ribosylimidazoleacetic acid	2.2499	0.0001	0.0001
Ricinoleic Acid methyl ester	2.2498	0.0002	0.0002
Riddelline	0.0000	1.5614	2.0385
Rifamycin	2.2500	0.0000	0.0000
Rifamycin Esi-15.079023	0.8867	1.0034	1.1779
Rifamycin S	2.2500	0.0000	0.0000
Rifamycin S Esi-13.958	2.2500	0.0000	0.0000
Risperidone	1.8262	0.3588	0.3193
Ritonavir	1.1714	0.8732	0.8526
Ritonavir Esi-15.103308	1.3759	1.3985	0.0000
Ritonavir Esi-15.33237	1.2683	0.0000	1.5707
R-L3	0.0553	1.6029	1.9086
RO 40-5966 (Methylmibefradil Metabolite)	1.0603	0.9388	0.9647
Romidepsin	2.2500	0.0000	0.0000
Rosmarinine	2.2499	0.0001	0.0001
Rosoxacin	0.0001	0.0001	3.5997
Rosuvastatin	2.2499	0.0001	0.0001
(R)-SLV 319	2.2499	0.0001	0.0001
(R)-SLV 319 Esi-0.822	2.2500	0.0000	0.0000
Rutaecarpine	0.1290	1.1636	2.2300
Ryanodine	0.0001	3.5997	0.0001
(S1)-Methoxy-3-heptanethiol	1.4367	0.0000	1.3012
(S)-(-)-2-Hydroxyisocaproic acid	1.2108	0.6070	1.0558
(S)-(-)-2-Hydroxyisocaproic acid Esi-5.6432767	1.1639	0.6994	1.0384
(S)-2-Hydroxypropyl-CoM	2.2499	0.0001	0.0001
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate	1.1515	0.9941	0.7635
S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate Esi-0.7838333	0.0000	3.4879	0.1121
Saccharocin	0.8112	1.0708	1.2314
Sachaliside 2	2.2499	0.0001	0.0001
Salannin	0.9176	0.9339	1.1980
Salermide	2.2498	0.0001	0.0001
Salfredin B11	0.0001	3.5997	0.0001
Salfredin B11 Esi-7.3450003	0.0001	3.5997	0.0001
Salsalate	1.8435	0.6503	0.0000
Sarcoaldesterol A	2.2500	0.0000	0.0000
Sarcodon scabrosus Depsipeptide	1.5590	0.0000	1.1055
Sarcodon scabrosus Depsipeptide Esi-23.7713	1.3991	1.3615	0.0000
Sarin	1.2382	0.6714	0.9474
Sarin Esi-3.2379997	2.2500	0.0000	0.0000
Sarin Esi-3.2831213	0.6288	1.1143	1.4796
Sarin Esi-5.404	0.0000	0.0000	3.5999
Sarmentoside B	2.2499	0.0001	0.0001
Sarpagine	2.2500	0.0000	0.0000
Sarpagine Esi-19.119	2.2500	0.0000	0.0000
SB 206553	0.8745	1.0381	1.1627
(S)-Batatic acid	0.0001	1.6178	1.9821
SC-19220	1.0504	0.9057	1.0136
SC-19220 Esi-5.9678755	1.3691	1.4095	0.0000
SC-19220 Esi-5.969728	1.5118	0.0000	1.1812
Scarlet Red	2.2500	0.0000	0.0000
Scillipheosidin 3-[glucosyl-(1-2)-rhamnoside]	0.0000	3.5999	0.0000
Scriptaid	1.9375	0.0000	0.5000
Scriptaid Esi-16.334997	2.2499	0.0001	0.0001
Scutianine F	2.2499	0.0001	0.0001
Se-Adenosylselenohomocysteine	1.4094	0.8325	0.5124
Secogalioside	2.2499	0.0001	0.0001
Secoisotetrandrine	0.5765	0.0000	2.6776
Sedoheptulose 1-phosphate	0.5909	1.2820	1.3726
Senkirkine	0.0000	0.0000	3.6000
Ser Arg Lys	1.1577	1.7476	0.0000
Ser Arg Thr	0.8181	1.1143	1.1767
Ser His Asn	2.2497	0.0002	0.0002
Ser Leu Lys	0.8723	1.1692	1.0352
Sertraline Carbamic acid glucuronide	2.2500	0.0000	0.0000
Ser Val Gln	0.9236	1.0552	1.0671
Ser Val Gln Esi-12.19894	1.0628	0.8942	1.0053
Setarin	0.0000	3.5999	0.0000
S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea	0.9112	2.1420	0.0001
S-Furanopetasitin	0.7965	1.3628	0.9629
Silafluofen	0.4881	0.0000	2.8190
Sinapoylspermine	1.3971	0.7073	0.6574
Sinapoylspermine Esi-24.220377	0.9912	2.0141	0.0000
Sisomicin	0.9416	0.0001	2.0933
Slaframine	0.0002	0.0002	3.5994
(S)-Menthone 8-thioacetate	0.6453	1.2440	1.3235
S-Methyl benzenecarbothioate	2.1581	0.0000	0.1471
S-Methyl butanethioate	1.0172	1.0778	0.8946
S-methylcaptopril	2.2499	0.0001	0.0001
S-methylcaptopril Esi-10.622001	0.0001	0.0001	3.5998
(S)-Mevalonic acid	1.5612	0.0000	1.1021
sn-3-O-(geranylgeranyl)glycerol 1-phosphate	1.0896	0.8596	0.9970
sn-3-O-(geranylgeranyl)glycerol 1-phosphate Esi-11.946	0.0000	3.5999	0.0000
(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1-2)-b-D-glucopyranoside]	1.0284	0.0000	1.9546
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1-4)-a-L-rhamnopyranosyl-(1-2)-[a-L-rhamnopyranosyl-(1-6)]-b-D-glucopyranoside]	2.2499	0.0000	0.0000
Somocystinamide A byproduct	0.0000	2.2275	1.3725
Sparfloxacin	0.0003	3.5993	0.0003
S-(p-Azidophenacyl)glutathione	1.2696	0.0000	1.5686
S-(p-Azidophenacyl)glutathione Esi-0.6489999	0.0001	1.5156	2.0843
S-(p-Azidophenacyl)glutathione Esi-1.1509472	1.6562	0.3525	0.5975
Spergualin	1.2674	0.0000	1.5722
Sphingofungin A	1.4283	0.0001	1.3147
Sphingofungin C	0.7740	1.1988	1.1628
Sphingofungin C Esi-13.721	2.2500	0.0000	0.0000
Sphingofungin F	1.0062	1.0520	0.9381
Spinacetin 3-gentiobioside	0.6473	1.4757	1.0887
Spinacoside D	1.7967	0.0000	0.7252
Spinosyn K	2.2500	0.0000	0.0000
SQMG(0:0/16:1(13Z))	0.8963	1.1613	1.0046
SQMG(0:0/16:1(13Z)) Esi-10.912001	0.0001	3.5999	0.0001
SQMG(0:0/16:1(13Z)) Esi-23.754251	0.8179	0.0000	2.2914
SR 144528	1.0900	1.0242	0.8317
S-Ribosyl-L-homocysteine	0.4442	1.8829	1.0064
S-Ribosyl-L-homocysteine Esi-8.8359995	0.0001	3.5997	0.0001
SRT 1720	2.2497	0.0002	0.0002
Stearic acid	1.5760	0.5588	0.5197
Stigmatellin Y	0.0000	3.6000	0.0000
Streptidine	2.2499	0.0001	0.0001
Strophanthidin Semicarbazide	0.9340	0.9432	1.1625
STS-135	0.8878	0.0000	2.1795
STS-135 Esi-12.87541	0.6852	1.1564	1.3472
STS-135 Esi-12.880999	0.0001	3.5999	0.0001
Succimer	0.0000	0.0000	3.5999
Succinylsulfathiazole	0.0001	0.0001	3.5998
Sudan III	1.2121	0.7760	0.8846
Sulfadiazine	0.9627	0.0000	2.0596
Sulfamethoxazole	1.0737	0.9039	0.9782
Sulfamethoxazole Esi-5.9703155	1.3410	0.0000	1.4543
Sulfamethoxazole N4-hydroxylamine	1.3089	0.7776	0.7282
Sulfanilamide	1.2379	0.8751	0.7442
Sulfaphenazole	1.3266	0.0000	1.4775
Sulfaphenazole Esi-9.083626	0.8243	2.2812	0.0000
Sulindac glucuronide	2.2500	0.0000	0.0000
Suprofen Methyl Ester	2.2499	0.0000	0.0000
Suprofen Methyl Ester Esi-0.952	0.0001	3.5997	0.0001
Syringolin A	2.2497	0.0003	0.0003
T2 Triol	1.3254	1.4794	0.0000
Taccalonolide A	0.0001	0.0001	3.5999
Tafluprost ethyl amide	0.0002	0.0002	3.5995
Talampicillin	2.2499	0.0000	0.0000
talinolol	0.8193	1.3502	0.9389
Tartronate semialdehyde	2.2500	0.0000	0.0000
Taurine	0.9505	1.3978	0.6814
Taurolithocholic acid 3-glucuronide	1.0349	0.8876	1.0565
Taxinine M	1.1623	1.7402	0.0000
Taxinine M Esi-14.386	2.2500	0.0000	0.0000
Tazarotene	0.6041	1.2523	1.3812
Tebuconazole Esi-15.687523	0.3197	1.5547	1.5337
Telaprevir	2.2500	0.0000	0.0000
Telbivudine	1.0199	0.8134	1.1547
Tenitramine	0.0000	3.5999	0.0000
Tephrodin	1.0816	1.0204	0.8490
Tephrowatsin B	1.5261	1.1583	0.0000
Tephrowatsin B Esi-19.386663	0.0000	1.2654	2.3346
Tepraloxydim	0.0000	1.5277	2.0723
Tepraloxydim Esi-15.352	0.0000	3.6000	0.0000
Teprotide	0.0000	0.0000	3.5999
Teprotide Esi-13.982501	0.7790	2.3535	0.0000
Terbutaline-1-sulfate	2.2492	0.0006	0.0006
Termitomycamide B Esi-17.445	0.0002	0.0002	3.5995
Testosterone glucuronide	0.0001	0.0001	3.5997
Testosterone sulfate Esi-17.807304	0.6877	0.8655	1.6341
Testosterone sulfate Esi-18.706919	0.4769	1.3758	1.4612
Tetrachlorobisphenol A	0.8012	1.3656	0.9525
Tetracosanedioic acid	0.0002	3.5996	0.0002
Tetradecyl sulfate	0.6355	1.1811	1.4022
Tetragastrin	2.2500	0.0000	0.0000
Tetrahydrocorticosterone	2.2500	0.0000	0.0000
Tetrahydrocortisol	1.2116	1.6614	0.0000
Tetrahydrocortisol Esi-17.296581	0.5822	0.0000	2.6684
Tetrahydrocortisol Esi-17.851997	0.7997	0.0000	2.3204
Tetrahydrocortisone	0.8851	1.1148	1.0690
Tetrahydrocortisone Esi-14.0164995	0.0000	1.7819	1.8180
Tetranor-PGEM	2.2500	0.0000	0.0000
TG(12:0/12:0/20:1(11Z))[iso3]	1.5462	0.0000	1.1261
TG(12:0/14:1(9Z)/18:3(9Z,12Z,15Z))[iso6]	0.0013	0.0013	3.5966
TG(12:0/20:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]	2.2500	0.0000	0.0000
TG(13:0/13:0/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]	1.3703	0.0000	1.4075
TG(15:0/18:3(9Z,12Z,15Z)/20:2(11Z,14Z))[iso6]	0.0002	0.0002	3.5995
TG(15:1(9Z)/17:0/19:1(9Z))[iso6]	0.0000	0.0000	3.6000
TG(16:1(9Z)/16:1(9Z)/16:1(9Z)) Esi-19.088	2.2500	0.0000	0.0000
TG(17:0/17:1(9Z)/19:1(9Z))[iso6]	1.2909	1.5345	0.0000
TG(17:2(9Z,12Z)/17:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso3]	1.3209	0.0000	1.4865
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]	0.5889	2.6577	0.0001
TG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	1.5916	1.0534	0.0000
TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]	2.2500	0.0000	0.0000
Thalicsessine	1.0507	0.9196	0.9993
Thalicsessine Esi-15.215	0.0000	0.0000	3.5999
Thalidasine	1.0152	1.0110	0.9647
Thamnosin	2.2499	0.0001	0.0001
Theasapogenol A	0.0001	0.0001	3.5996
Thenylchlor	1.3336	1.4662	0.0000
Thermobiszeaxanthin-13-13	2.2499	0.0001	0.0001
Thermobiszeaxanthin-13-13 Esi-16.32	2.2499	0.0001	0.0001
Thermobiszeaxanthin-13-15/ Zeaxanthin diglucoside diester	2.2500	0.0000	0.0000
Thermocryptoxanthin-15	1.1816	1.7094	0.0001
Thevetiaflavone	1.5603	0.0000	1.1035
Thienodolin	0.0001	3.5997	0.0001
Thiethylperazine	2.0213	0.3659	0.0000
Thiocysteine	1.1603	0.9858	0.7577
Thiolanilide	1.2672	0.9093	0.6632
Thiolanilide Esi-5.746	0.0000	0.0000	3.6000
Thioperamide	0.0004	0.0004	3.5990
Thioproperazine	1.2082	0.9485	0.7184
Thioridazine 2,5-disulfone	0.0003	3.5992	0.0003
Thiotepa	0.0003	0.0003	3.5991
Thio-THIP	2.2500	0.0000	0.0000
Thonningianin B	0.0021	0.0021	3.5947
Threoninyl-Aspartate	0.6794	1.0653	1.4478
Thr Glu Leu	0.8280	1.1066	1.1685
Thr Glu Leu Esi-14.047	2.2498	0.0001	0.0001
Thr His Ile	0.5394	1.4376	1.2993
Thr Ile Lys	2.2499	0.0001	0.0001
Thr Ile Lys Esi-9.086999	0.9335	0.0000	2.1064
Thr Ile Thr	1.2273	0.9701	0.6662
Thr Lys Arg	0.0001	0.0001	3.5997
Thr Lys Ser	0.0000	1.8153	1.7847
Thr Met Tyr	1.2967	1.5252	0.0000
Thr-Phe4Cl-OH	0.9204	1.0575	1.0698
Thr Thr Lys	0.9133	1.0920	1.0468
Thr Thr Lys Esi-8.5778	0.0001	2.5538	1.0461
Tiamulin	0.9332	1.0234	1.0835
Tiamulin Esi-13.737598	0.4398	1.4913	1.4050
Tiamulin Esi-14.037498	1.9159	0.0000	0.5345
Tiaprost	0.6717	2.1964	0.3289
Tifluadom	2.2500	0.0000	0.0000
Tifluadom Esi-15.295278	0.9489	1.0445	1.0373
Tigecycline	1.5325	0.0000	1.1480
Tigecycline Esi-11.782	0.0006	3.5984	0.0006
Tigecycline Esi-13.508001	0.0000	0.0000	3.5999
tiracizine	2.2498	0.0002	0.0002
Tirandamycin	1.3916	0.0001	1.3734
Tirandamycin Esi-0.97316676	1.6284	0.9946	0.0001
Tirofiban	2.2499	0.0001	0.0001
tiropramide	0.9986	1.0034	0.9988
tiropramide Esi-12.845888	0.9729	0.8955	1.1478
TOFA	0.0000	1.7716	1.8284
Tofisopam	1.1454	0.2385	1.5288
Tofisopam Esi-13.701998	0.0000	0.0000	3.6000
Tolnaftate	1.1934	0.9154	0.7752
Tomentolide A	0.0001	3.5997	0.0001
Torososide B	1.0525	1.9158	0.0001
(-)-Tortuosamine	2.2500	0.0000	0.0000
(-)-Tortuosamine Esi-19.124285	2.2500	0.0000	0.0000
Tos-Ph-CH2Cl	1.3000	0.5828	0.9372
Trabectedin	1.1573	0.9084	0.8400
Tragopogonsaponin J	2.2499	0.0001	0.0001
Tragopogonsaponin K	2.2499	0.0001	0.0001
Tragopogonsaponin R	0.0000	3.5999	0.0000
Trandolapril lactam (RU 46178)	0.9987	0.0000	2.0021
trans-2-Enoyl-OPC8-CoA	0.0001	3.5998	0.0001
trans-Resveratrol 4^-sulfate	0.4957	1.4074	1.3994
trans-Resveratrol-d4	1.1939	0.0000	1.6897
Treosulfan	2.2500	0.0000	0.0000
Triacontanedioic acid	1.5142	0.0002	1.1770
Tributyltin oxide	0.0000	0.0000	3.5999
Trichlormethine	2.2499	0.0001	0.0001
Tricin 7-glucuronoside	1.6286	0.5977	0.3966
Trifluoperazine	0.0000	1.8628	1.7371
trifluoroacetic acid	0.9936	0.9714	1.0389
trifluoroacetic acid Esi-18.394539	1.4048	1.3524	0.0000
trifluoroacetic acid Esi-19.114279	1.8456	0.0000	0.6471
trifluoroacetic acid Esi-19.372849	1.5578	0.5850	0.5225
trifluoroacetic acid Esi-23.755394	0.8739	1.1212	1.0806
Trigoneoside XIIIa	0.0000	0.0000	3.6000
Trihomomethionine	0.9575	1.0798	0.9881
Trilauroyl-glycerol	0.8614	1.1728	1.0489
TRIM	1.6455	0.0000	0.9671
Trimethadione	1.2328	0.6223	1.0052
Trimethobenzamide	2.2499	0.0000	0.0000
Tris(2-methyl-1-aziridinyl)phosphine oxide	1.0243	0.0000	1.9611
Tris(2-methyl-1-aziridinyl)phosphine oxide Esi-6.0872593	0.8585	0.8590	1.3674
Tris(butoxyethyl)phosphate	1.5511	0.6606	0.4577
Tris(butoxyethyl)phosphate Esi-18.691	0.0001	0.0001	3.5999
Tris(butoxyethyl)phosphate Esi-18.802755	0.3909	1.6012	1.3733
Troglitazone quinone	2.2498	0.0001	0.0001
Troxilin B3	1.0878	0.0000	1.8595
Trp Gln Ile	0.6434	1.3157	1.2549
Trp Ile Lys	1.2562	0.0001	1.5900
Trp-Met-OH	2.2500	0.0000	0.0000
Trp-Met-OH Esi-6.704	0.0006	3.5985	0.0006
Trp Phe Val	2.2500	0.0000	0.0000
Trp Pro Asp	0.6642	0.0001	2.5372
Trp Pro Thr	0.7738	1.2129	1.1490
Trp Trp Lys	2.2488	0.0009	0.0009
Trp Val Trp	0.9758	1.0144	1.0244
Trypanothione	1.0756	0.9276	0.9514
Trypanothione Esi-14.371003	0.5449	0.9212	1.8069
Tryptophyl-Alanine	1.1509	0.8280	0.9305
Tryptophyl-Histidine	0.0000	0.0000	3.5999
Tryptophyl-Threonine	1.0138	0.6985	1.2794
Tsangane L 3-glucoside	2.2500	0.0000	0.0000
tuberculosinyl diphosphate	1.6984	0.0000	0.8826
Tubulosine	0.9149	1.0458	1.0903
Tubulosine Esi-11.133	2.2497	0.0003	0.0003
Tubulosine Esi-11.408	1.3513	1.4379	0.0001
Tubulosine Esi-13.154001	2.2499	0.0001	0.0001
Tubulosine Esi-13.165218	0.8364	1.0967	1.1651
Tumonoic Acid I	1.1862	0.0000	1.7021
Tumonoic Acid I Esi-14.567999	2.2500	0.0000	0.0000
Typhasterol	1.4974	0.0000	1.2042
Tyr Gln Tyr	1.6380	0.4633	0.5159
Tyr Leu Tyr	2.2499	0.0001	0.0001
TyrMe-Asp-OH	0.9785	1.0221	1.0123
TyrMe-Ile-OH	0.0000	1.0536	2.5463
TyrMe-Ile-OH Esi-15.085	0.0001	3.5997	0.0001
TyrMe-Lys-OH	0.8550	1.2020	1.0300
Tyrosyl-Cysteine	2.2496	0.0003	0.0003
Tyrosyl-Cysteine Esi-1.2598001	0.8633	0.0001	2.2186
Tyrosyl-Tyrosine	1.0360	1.2509	0.6914
Tyr-Trp-OH	2.0742	0.2812	0.0000
Tyr-Tyr-OH	1.1881	0.0000	1.6990
Tyr Val Ile	0.0000	1.9663	1.6337
U50488	1.1242	0.9236	0.8776
U-51605	1.3780	0.0000	1.3952
UDP-N-acetyl-D-galactosaminuronic acid	2.2500	0.0000	0.0000
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-?-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D- alanine	2.2498	0.0001	0.0001
Uniconazole P	0.0001	1.5723	2.0276
Uracil 5-carboxylate	0.1507	3.3589	0.0000
Uric acid	0.7658	1.1793	1.1954
Uroporphyrinogen I	2.2500	0.0000	0.0000
Ustilagic acid	0.9303	1.0843	1.0272
Ustiloxin B	0.8529	1.0504	1.1849
Ustiloxin B Esi-14.060002	2.2500	0.0000	0.0000
Uzarigenin 3-[xylosyl-(1-2)-rhamnoside]	2.2500	0.0000	0.0000
Vaccinoside	2.0611	0.3022	0.0000
Valdiate	0.9922	1.0286	0.9839
Valeracetate	0.9138	0.9644	1.1735
Val His Ser	0.0002	0.0002	3.5995
Val Leu His	1.1712	0.8206	0.9055
Val Lys Ser	0.6930	1.3684	1.1228
Val Lys Ser Esi-10.02	0.0001	0.0001	3.5998
Val-Nap-OH	2.2500	0.0000	0.0000
Val-Nap-OH Esi-17.973	2.2499	0.0001	0.0001
Valnemulin	1.2622	0.6835	0.8970
Valnemulin Esi-23.809002	0.0001	0.0001	3.5997
Val Phe Phe	2.2499	0.0001	0.0001
Val Phe Phe Esi-13.027	2.2499	0.0001	0.0001
Val Phe Val	0.5925	1.5285	1.1235
Val Phe Val Esi-8.57	0.0001	0.0001	3.5997
Valyl-Arginine	0.7723	0.0001	2.3643
Valyl-Methionine	0.9505	1.0250	1.0542
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal	2.0333	0.3467	0.0000
Velcorin	2.2500	0.0000	0.0000
Vemurafenib	0.8160	1.1423	1.1521
Verbascose	0.9670	1.0398	1.0131
Verteporfin	2.2500	0.0000	0.0000
Verteporfin Esi-13.946576	0.9970	0.9212	1.0836
Vibriobactin	2.2500	0.0000	0.0000
Vinaginsenoside R4	0.0000	0.0000	3.5999
Vomicine	2.2500	0.0000	0.0000
Vomifoliol 9-[glucosyl-(1-4)-xylosyl-(1-6)-glucoside]	2.2499	0.0000	0.0000
W123	0.9242	1.0758	1.0455
Wanepimedoside A	0.9991	0.7774	1.2240
(?-WIN 55,212	0.0003	3.5993	0.0003
WIN I(S)	1.4149	1.3361	0.0000
Withaperuvin E	0.9767	2.0371	0.0002
Wortmannin-Rapamycin Conjugate	0.9544	0.8151	1.2579
Xamoterol	2.2499	0.0000	0.0000
XDP	0.7664	2.3738	0.0000
XE991	0.8483	2.2428	0.0000
xi-3-Hydroxy-2-oxobutanoic acid	1.2531	0.0000	1.5951
xi-3-Hydroxy-2-oxobutanoic acid Esi-1.0062224	0.9532	0.9487	1.1263
xi-3-Hydroxy-2-oxobutanoic acid Esi-22.020666	1.7844	0.0000	0.7449
Ximelagatran	1.3553	1.4315	0.0000
Ximenoylacetone	2.2499	0.0000	0.0000
Yellow AB	0.9265	1.1242	0.9934
(Z)-22-Hentriacontene-2,4-dione	1.7838	0.0000	0.7458
(Z)-2-Decene-4,6,8-triyn-1-ol	0.9899	1.0365	0.9797
(Z)-5-[(5-Methyl-2-thienyl)methylene]-2(5H)-furanone	0.0000	1.5895	2.0105
Zapotidine	1.4773	1.2363	0.0000
Zaprinast	1.1137	0.8113	1.0068
Z-Arg-Arg-NHMec	1.0082	1.0516	0.9354
Z-Arg-Arg-NHMec Esi-13.979152	1.3056	1.5111	0.0000
Z-Arg-Arg-NHMec Esi-14.280999	2.2500	0.0000	0.0000
Zierin	0.0001	0.0001	3.5996
Zierin Esi-5.62	0.0006	0.0006	3.5983
Zinc protoporphyrin-9	0.9904	1.1477	0.8677
ZM 447439	1.4131	0.0000	1.3391
ZM 447439 Esi-14.045169	0.9192	1.1258	1.0035
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide	1.1263	0.0000	1.7979
(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide Esi-0.829	0.0000	0.0000	3.6000
Zomepirac	2.2500	0.0000	0.0000
Zuclopenthixol	0.0000	1.6765	1.9234
Zuclopenthixol glucuronide	1.6675	0.0000	0.9320
Zygadenine	1.3240	1.4815	0.0000
Zymonic acid	0.0000	1.9634	1.6366

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Sample source:Mouse blood | treatment:Ethanol
F2	Sample source:Mouse blood | treatment:Ethanol+Honey
F3	Sample source:Mouse blood | treatment:Ethanol+Sugar