Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004350)

(Analysis AN007261)

Metabolite	Structure	F1	F2	F3
Azelaoyl PAF	ME1201336	0.23	0.11	2.66
Ergocristine	ME1201494	0.06	0.06	2.88
2-(1-methyl-1H-imidazol-5-yl)acetic acid	ME1201117	0.10	0.10	2.80
Pranlukast	ME1201411	0.13	0.13	2.73
2-Phenylacetamide	ME1200861	0.62	0.13	2.25
Aflatoxin M1	ME1201048	0.77	0.01	2.22
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester	ME1201889	0.40	0.21	2.39
Ketotifen	ME1201310	0.39	0.17	2.44
Phenylalanyltyrosine	ME1200922	0.26	0.23	2.51
Nizatidine	ME1201260	0.38	0.28	2.34
Nivalenol	ME1201207	0.26	0.32	2.43
PG(a-13:0/18:2(9Z,11Z))	ME1201870	0.24	0.36	2.40
Clozapine	ME1201276	0.31	0.30	2.38
Tsugaric acid A 21-glucosyl ester	ME1201643	0.32	0.30	2.39
N-(1-Deoxy-1-fructosyl)leucine	ME1201578	0.33	0.28	2.39
Rubemamine	ME1201475	0.34	0.28	2.38
L-Argininosuccinic acid	ME1201299	0.31	0.26	2.42
Aminopterin	ME1201031	0.28	0.28	2.45
L-Homophenylalanine	ME1200867	0.30	0.26	2.45
Ornithine	ME1200820	0.45	0.32	2.23
5,6-Dihydroxyindole-2-carboxylic acid	ME1201686	0.51	0.30	2.19
Folic acid	ME1201087	0.48	0.35	2.18
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	ME1201399	0.28	0.43	2.29
Betaxolol	ME1201452	0.32	0.38	2.31
Trazodone	ME1201273	0.41	0.38	2.21
N-Desmethylzopiclone	ME1201930	0.37	0.33	2.30
Gabexate	ME1201783	0.39	0.35	2.26
Mitoxantrone	ME1201409	0.37	0.37	2.26
Hypoxanthine	ME1200873	0.29	0.66	2.05
L-Leucine	ME1201054	0.33	0.62	2.06
Histidinol	ME1201722	0.59	0.34	2.07
Cyclic AMP	ME1201012	0.59	0.31	2.10
Sulindac sulfide	ME1201777	0.59	0.30	2.11
Nabumetone	ME1201396	0.62	0.37	2.01
Trimethoprim	ME1201289	0.64	0.38	1.98
3-Methylbenzyl alcohol	ME1201313	0.54	0.48	1.99
Acetohexamide	ME1201203	0.53	0.45	2.02
PC(8:0/8:0)	ME1201114	0.58	0.39	2.04
N-trans-Feruloyloctopamine	ME1201122	0.55	0.41	2.04
Chelidonine	ME1201429	0.52	0.42	2.06
Nonoxynol-9	ME1201504	0.53	0.42	2.05
Fluchloralin	ME1201830	0.44	0.58	1.99
2-Keto-6-acetamidocaproate	ME1201886	0.42	0.53	2.05
3^-N-Acetyl-4^-O-(14-methylpentadecanoyl)fusarochromanone	ME1201575	0.47	0.53	2.00
isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH	ME1201810	0.47	0.51	2.01
Tagatose	ME1200939	0.48	0.51	2.01
Protopine	ME1201950	0.38	0.47	2.15
Schradan	ME1201317	0.41	0.45	2.15
Ginkgolide B	ME1201397	0.48	0.43	2.09
Penicilloic acid	ME1201895	0.44	0.47	2.09
13-Docosenamide	ME1200881	1.43	1.31	0.27
2-Thiopheneacetonitrile	ME1201650	1.10	1.69	0.22
5-(3^,4^,5^-Trihydroxyphenyl)-gamma-valerolactone	ME1201862	1.08	1.68	0.23
3-[(1-Carboxyvinyl)oxy]benzoic acid	ME1201500	1.11	1.62	0.28
L-methionine sulfoxide	ME1200928	1.10	1.62	0.28
2-Hydroxydesipramine	ME1201780	1.08	1.66	0.25
Kojic acid	ME1201219	1.11	1.64	0.25
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-	ME1201701	1.17	1.57	0.26
O-ureido-D-serine	ME1201636	1.10	1.56	0.34
24(S)-hydroxycholesterol	ME1201441	0.95	1.67	0.39
Clopidol	ME1201788	0.93	1.78	0.29
PC(14:0/20:4(5Z,8Z,11Z,14Z))	ME1201890	0.38	2.31	0.30
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine	ME1201055	0.54	2.02	0.43
4-Chloro-3-methylphenol	ME1201885	0.73	1.91	0.36
3-Buten-1-ol	ME1201591	0.69	1.81	0.50
Aminoguanidine	ME1201735	0.67	1.89	0.44
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine	ME1201368	0.39	1.89	0.72
D-Proline	ME1201052	0.56	1.85	0.58
2-Naphthol	ME1200823	0.61	1.75	0.64
Mycolactone F	ME1201853	0.55	1.77	0.68
alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid	ME1201784	1.73	0.85	0.41
(R)-3-hydroxybutyrylcarnitine	ME1201746	1.56	0.84	0.60
3-Hydroxybutyric acid	ME1200937	1.59	0.84	0.57
Trp-Trp	ME1201017	1.58	0.86	0.55
Cucurbitacin E	ME1201443	1.55	0.98	0.46
20-Hydroxy-leukotriene E4	ME1201615	1.47	0.96	0.57
Sotalol	ME1201303	1.49	0.94	0.57
Piperidine acid	ME1201535	1.81	0.57	0.62
Ebastine	ME1201486	1.63	0.60	0.78
2-Dodecenal	ME1201351	1.68	0.59	0.73
Leu-Ile	ME1201655	1.67	0.57	0.76
2-Methyl-1-pyrroline	ME1201066	1.69	0.52	0.79
Aminoglutethimide	ME1201654	1.73	0.54	0.73
C22 Sphingomyelin	ME1201214	1.62	0.70	0.68
Fomepizole	ME1201108	1.53	0.75	0.72
Naftidrofuryl	ME1201814	1.55	0.76	0.68
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine	ME1201842	1.43	0.77	0.80
Platydesminium	ME1201934	1.45	0.74	0.81
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	ME1201960	1.49	0.80	0.71
Mitraphylline	ME1201476	1.43	0.83	0.74
Tyrphostin 23	ME1201689	1.44	0.84	0.72
Esmolol	ME1201337	1.55	0.59	0.85
Deltaline	ME1201284	1.52	0.66	0.82
Quinoline	ME1201286	1.50	0.65	0.86
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate	ME1201343	1.56	0.68	0.77
Carvyl acetate	ME1201312	1.56	0.63	0.80
6^-Methoxycinchonan-9-ol	ME1201828	1.41	0.64	0.94
alpha-Ergocryptine	ME1201272	1.50	0.56	0.94
APGPR Enterostatin	ME1200995	1.14	0.52	1.34
Piperonyl sulfoxide	ME1201268	1.16	0.43	1.40
Betaine aldehyde	ME1201236	1.33	0.58	1.09
Cabergoline	ME1201385	1.37	0.52	1.11
Thiethylperazine	ME1201435	1.34	0.49	1.17
4-Pyridoxic acid	ME1201631	1.24	0.49	1.26
12-Tridecene-4,6,8,10-tetraynal	ME1201609	1.27	0.51	1.22
1-Naphthol	ME1200835	1.25	0.54	1.21
4-Methoxycinnamaldehyde	ME1201414	1.31	0.45	1.24
Dihydroberberine	ME1201193	1.31	0.43	1.25
3,3^-Dimethoxybenzidine	ME1201899	1.25	0.44	1.31
Kynuramine	ME1201537	1.27	0.42	1.31
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME1201367	1.86	0.15	0.98
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline	ME1201952	1.55	0.32	1.13
Umbelliferone	ME1201073	1.58	0.31	1.11
gamma-L-Glutamyl-L-pipecolic acid	ME1201913	1.59	0.42	0.99
Methylergonovine	ME1201300	1.71	0.40	0.89
Eicosadienoic acid	ME1201463	1.25	1.06	0.68
Glucosaminic acid	ME1200977	1.25	1.10	0.66
Fendiline	ME1201821	1.31	1.01	0.69
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME1201552	1.32	1.03	0.65
N-nitrosodimethylamine	ME1201316	1.32	1.06	0.62
Dimethylurea	ME1201678	1.30	1.17	0.53
13,14-Dihydro PGE1	ME1201401	1.45	1.07	0.48
2-trans,6-trans-Farnesal	ME1201304	1.41	1.11	0.48
Syringaldehyde	ME1201762	1.29	0.95	0.76
Angelicin	ME1201432	1.19	0.94	0.86
Ergocornine	ME1201221	1.21	0.94	0.85
1,1,6-Trimethyltetralin	ME1201793	1.25	0.93	0.82
5-Methyl-2-furancarboxaldehyde	ME1200947	1.23	0.95	0.82
Carnitine C3:0	ME1201056	1.23	1.01	0.77
(1R,4R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol	ME1201748	1.21	0.99	0.81
xi-3-Methyl-3-cyclohexen-1-ol	ME1201910	1.20	0.98	0.82
Buprenorphine	ME1201418	1.15	1.07	0.78
1,3-Benzenediol	ME1201264	1.14	1.06	0.80
Metoprolol	ME1201209	1.14	1.07	0.80
Palmitic amide	ME1200864	1.13	1.09	0.78
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	ME1201902	1.12	1.08	0.80
2,6-Di-tert-butyl-4-ethylphenol	ME1201606	1.19	1.07	0.74
Dimethyl succinate	ME1201243	1.17	1.07	0.76
1-Acetylisatin	ME1201497	1.16	1.03	0.82
Octadecanamide	ME1201018	1.15	1.04	0.81
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether	ME1201896	1.18	1.03	0.80
1,3,5-Trihydroxybenzene	ME1201104	1.18	1.05	0.78
Altretamine	ME1201255	1.20	1.03	0.77
Methyl 3-methyl-2-oxopentanoate	ME1201617	1.19	1.03	0.78
Disopyramide	ME1201795	1.16	1.01	0.83
Matairesinol	ME1201172	1.17	0.99	0.84
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide	ME1201798	1.16	1.00	0.84
alpha-Ionone	ME1201710	1.16	0.99	0.85
N-Acetyl-L-alanine	ME1200876	1.14	0.99	0.87
Chloroform	ME1201566	1.17	0.96	0.87
Haloperidol	ME1201198	1.16	0.97	0.87
Echinocystic acid	ME1201415	1.13	1.02	0.85
Perindopril	ME1201498	1.11	1.03	0.86
17-(4-Hydroxyphenyl)heptadecanoic acid	ME1201855	1.11	1.00	0.89
Ethoxzolamide	ME1201191	1.11	1.00	0.89
3,4-Dihydroxy-5-methoxybenzoic acid	ME1201361	1.12	0.98	0.90
Phenformin	ME1201152	1.13	0.98	0.90
Thioproperazine	ME1201647	1.01	1.14	0.85
Methyl 2-octynoate	ME1201370	1.00	1.16	0.84
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid	ME1201797	1.01	1.16	0.83
cis-Murisolinone	ME1201917	1.01	1.16	0.82
Aminocaproic acid	ME1200904	1.03	1.18	0.79
Metaxalone	ME1201493	0.98	1.21	0.82
7-Nitroindazole	ME1201685	0.99	1.19	0.81
Benzidine	ME1201199	1.00	1.19	0.81
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside	ME1201666	1.09	1.09	0.81
14,15-Epoxyeicosa-5z-enoic acid	ME1201953	1.08	1.12	0.80
L-Homoarginine	ME1200988	1.08	1.12	0.80
5-Hydroxymethyluracil	ME1200968	1.11	1.11	0.78
Medica 16	ME1201947	1.10	1.11	0.79
Celastrol	ME1200997	1.08	1.17	0.74
Dihydrouracil	ME1201346	1.09	1.17	0.74
Thymine	ME1200877	1.08	1.14	0.78
Aspartylcysteine	ME1201740	1.09	1.14	0.77
DL-3,4-Dihydroxyphenyl glycol	ME1201111	1.09	1.15	0.77
Cytosine	ME1200945	1.09	1.20	0.70
Methyl linoleate	ME1201470	1.09	1.20	0.71
Talwin	ME1201791	1.09	1.24	0.67
Linoelaidic acid	ME1201023	1.12	1.23	0.65
Maltol	ME1200851	1.11	1.24	0.65
2-Hydroxy-3-phosphonooxybut-3-enoic acid	ME1201906	1.05	1.28	0.67
Nipecotic acid	ME1201725	1.08	1.27	0.65
1,2-Ethylenediphosphonic acid	ME1201223	1.22	1.15	0.63
6-Hydroxyhexanoic acid	ME1200979	1.23	1.14	0.63
12-Methyltridecanoic acid	ME1201130	1.18	1.18	0.64
2-Hydroxydecanedioic acid	ME1201571	1.20	1.17	0.63
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate	ME1201949	1.21	1.20	0.59
Flucytosine	ME1201433	1.20	1.19	0.61
3-Phenylpropyl isothiocyanate	ME1201633	1.15	1.17	0.68
Kanamycin	ME1201833	1.20	1.10	0.70
2-Picoline	ME1200859	1.19	1.12	0.68
Trimethylolpropane	ME1201880	1.19	1.12	0.69
TG(10:0/10:0/10:0)	ME1201662	1.17	1.10	0.73
2-Aminoindan	ME1201767	1.16	1.13	0.71
6-(2-Hydroxyethoxy)-6-oxohexanoic acid	ME1201924	1.16	1.13	0.71
3^-Adenylic acid	ME1200832	1.15	0.91	0.93
Geranyl acetate	ME1201352	1.16	0.91	0.93
Temozolomide	ME1201327	1.14	0.94	0.91
Geranylgeraniol	ME1201398	1.16	0.93	0.91
Thioetheramide PC	ME1201524	1.16	0.94	0.90
2-Methylbenzyl alcohol	ME1201387	1.23	0.87	0.90
2-Hydroxypyridine	ME1201205	1.19	0.89	0.92
Buprofezin	ME1201769	1.20	0.88	0.92
Ramelteon	ME1201109	1.18	0.84	0.98
Alantolactone	ME1201308	1.16	0.88	0.96
Citrulline	ME1201560	1.16	0.87	0.97
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone	ME1201532	1.17	0.85	0.97
Asclepin	ME1201501	1.17	0.86	0.97
Caffeine	ME1201702	1.17	0.86	0.96
Fexofenadine	ME1201341	1.17	0.87	0.96
Difenzoquat	ME1201467	1.15	0.84	1.01
2-Methoxycinnamaldehyde	ME1201121	1.19	0.82	1.00
cis-11-Methyl-2-dodecenoic acid	ME1201215	1.17	0.82	1.02
N-Acetyl-D-lactosamine	ME1200854	1.11	0.92	0.97
Rimantadine	ME1201093	1.12	0.92	0.96
1-(4-Methoxyphenyl)-4-methylpentan-3-ol	ME1201845	1.13	0.89	0.98
Vomifoliol	ME1201624	1.13	0.89	0.98
1,3-Diisopropylbenzene	ME1201546	1.14	0.90	0.96
N-tridecanoylglycine	ME1201827	1.13	0.90	0.96
(3Z,6Z,9Z)-dodecatrienol	ME1201509	1.13	0.91	0.97
4,4^-Methylenebis(2-methylaniline)	ME1200996	1.13	0.90	0.97
Triethyl citrate	ME1201542	1.11	0.87	1.02
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid	ME1201665	1.13	0.86	1.01
8-Deoxylactucin	ME1201128	1.12	0.88	1.00
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	ME1201084	1.13	0.87	1.00
FFA(10:1)	ME1201604	1.13	0.87	1.00
6-Hydroxycoumarin	ME1201085	1.06	0.90	1.04
Capecitabine	ME1201320	1.07	0.90	1.02
(S)-(+)-2-Hydroxy-3-methylbutyric acid	ME1201434	1.08	0.90	1.03
Citraconic Acid	ME1201646	1.09	0.89	1.02
Fludrocortisone acetate	ME1201348	1.10	0.89	1.02
Bisdemethoxycurcumin	ME1201262	1.09	0.90	1.00
Psoralen	ME1201474	1.11	0.89	1.00
Tetramethylsilane	ME1201579	1.10	0.85	1.05
Imatinib	ME1201350	1.09	0.84	1.07
Osthole	ME1201745	1.09	0.83	1.08
20-Hydroxyecdysone	ME1200892	1.15	0.79	1.05
Pantothenic acid	ME1201068	1.12	0.82	1.07
C-12 NBD-dihydro-Ceramide	ME1201165	1.13	0.84	1.04
Mirtazapine	ME1201098	1.12	0.83	1.04
MG(18:2/0:0/0:0)	ME1200844	1.13	0.82	1.05
Noladin ether	ME1201082	1.14	0.82	1.04
Glycerol	ME1201605	1.13	0.78	1.09
2^-Hydroxy-4,4^,6^-trimethoxychalcone	ME1200895	1.08	0.82	1.10
Methyl stearate	ME1200911	1.06	0.83	1.11
Hexazinone	ME1201739	1.07	0.80	1.13
2-(14,15-Epoxyeicosatrienoyl) Glycerol	ME1201178	1.08	0.79	1.13
p-Coumaroylagmatine	ME1201539	1.08	0.80	1.12
Cyclopentanethiol	ME1201583	1.10	0.77	1.12
Isovanillic acid	ME1201699	1.10	0.79	1.11
1H-Imidazol-1-ylacetic acid	ME1201388	1.19	0.73	1.08
1-Pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	ME1201935	1.18	0.75	1.07
8,9-Epoxyeicosatrienoic acid	ME1200950	1.19	0.78	1.03
Dopamine	ME1200875	1.20	0.76	1.04
Chymostatin	ME1201212	1.21	0.67	1.11
2-Amino-3-cyclohexylpropan-1-ol	ME1201640	1.24	0.69	1.07
Dropropizine	ME1201754	1.22	0.71	1.07
[2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylaminium	ME1201442	1.34	0.65	1.01
2,3,4,5-Tetrahydro-1-benzoxepin-3-one	ME1201164	1.32	0.68	0.99
4-Chloroaniline	ME1201697	1.29	0.70	1.01
3-Methyl-4-(sulfooxy)but-2-enoic acid	ME1201874	1.27	0.88	0.85
Salbutamol	ME1201423	1.27	0.85	0.88
Dimethyl phthalate	ME1201716	1.21	0.83	0.96
9-Aminoacridine	ME1200920	1.25	0.80	0.95
N-Nonanoylglycine	ME1201872	1.22	0.80	0.98
PC(15:0/20:4(5Z,8Z,11Z,14Z))	ME1201879	1.23	0.78	0.99
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	ME1201683	1.34	0.77	0.89
Amikacin	ME1201499	1.31	0.74	0.95
Tau-fluvalinate	ME1201406	1.30	0.76	0.94
5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone	ME1201865	0.94	1.13	0.93
Limonin	ME1201123	0.95	1.13	0.92
Tetradecanoylcarnitine	ME1201124	0.95	1.13	0.92
2-(4-Bromophenoxy)ethanamine	ME1201613	0.96	1.14	0.91
5,8,11-Eicosatrienoic acid	ME1201449	0.96	1.13	0.91
3-Chloroaniline	ME1201920	0.98	1.12	0.90
Cucurbitacin I	ME1201139	0.97	1.13	0.90
Pseudoephedrine	ME1201099	0.97	1.13	0.90
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate	ME1201921	0.94	1.15	0.91
Cyperine	ME1201502	0.93	1.16	0.91
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	ME1201956	0.95	1.17	0.87
N-(2-hydroxyethyl)icosanamide	ME1201713	0.94	1.17	0.89
Paullinic acid	ME1201338	0.92	1.15	0.93
PE-NMe(18:1(9Z)/18:1(9Z))	ME1201776	0.91	1.14	0.95
L-Leucyl-L-alanine	ME1200930	0.95	1.10	0.95
1,2-Dimethylimidazole	ME1201883	0.95	1.09	0.96
1,5-Diazabicyclo[4.3.0]non-5-ene	ME1201540	0.95	1.09	0.96
3-Guanidinopropionic acid	ME1201677	0.95	1.11	0.94
4-Hydroxy-3-octaprenylbenzoic acid	ME1201867	0.94	1.11	0.95
PC(P-18:0/20:4(5Z,8Z,11Z,14Z))	ME1201721	0.92	1.11	0.97
3^,4^-Dimethoxyacetophenone	ME1201239	0.93	1.13	0.95
Arg-Ile	ME1201034	0.93	1.12	0.95
2,2-Dichloropropionic acid	ME1201548	1.07	1.07	0.86
Bindarit	ME1201819	1.08	1.07	0.85
cotinine N-oxide	ME1200910	1.05	1.05	0.90
Vaccinoside	ME1201495	1.07	1.05	0.88
Methylthiouracil	ME1201242	1.07	1.04	0.89
3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde	ME1201933	1.06	1.04	0.89
beta-Carotene	ME1201580	1.06	1.05	0.89
behenate	ME1201929	1.08	1.02	0.91
Glycine	ME1200874	1.09	1.03	0.88
Phosphocholine	ME1201670	0.99	1.14	0.87
Galegine	ME1201594	1.01	1.11	0.88
Erythrono-1,4-lactone	ME1200980	1.00	1.12	0.88
2,3-Dimethylmaleic anhydride	ME1201681	1.00	1.12	0.88
4-Chlorophenoxyacetic acid	ME1201912	1.00	1.12	0.88
Acesulfame	ME1201596	0.99	1.11	0.89
(2S,3E,6R)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	ME1201875	0.99	1.13	0.89
Glycidyl oleate	ME1201115	0.99	1.12	0.89
Armillarin	ME1201505	1.02	1.08	0.91
Ethisterone	ME1201679	1.03	1.06	0.91
Atorvastatin	ME1201487	1.03	1.07	0.90
Spermidic acid	ME1201718	1.03	1.07	0.91
3,8^-Biflaviolin	ME1201932	1.02	1.09	0.88
Toluene	ME1201531	1.01	1.10	0.89
Sulcotrione	ME1201526	1.02	1.09	0.90
Diammonium ethylenebis(dithiocarbamate)	ME1201852	1.01	1.09	0.90
p-Synephrine	ME1201682	1.01	1.09	0.89
methylcarbamyl PAF	ME1201149	1.05	1.10	0.85
Stearoylethanolamide	ME1201472	1.04	1.12	0.84
Gallic acid	ME1200993	1.05	1.09	0.87
3-Nitroacrylic acid	ME1201849	1.04	1.09	0.87
L-Arabitol	ME1201374	1.04	1.09	0.87
17beta-Estradiol 3-(beta-D-glucuronide)	ME1201184	1.03	1.08	0.89
2,6-Dimethylpyridine	ME1200924	1.04	1.08	0.88
Arachidic acid	ME1200962	1.04	1.08	0.88
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine	ME1201832	1.03	1.12	0.86
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol	ME1201955	1.02	1.12	0.86
Novaluron	ME1201528	1.03	1.10	0.87
5-Hydroxytryptophol	ME1201014	1.03	1.10	0.87
Manoalide	ME1201072	1.03	1.10	0.87
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid	ME1201717	1.03	1.11	0.86
Gossypetin 8-glucuronide 3-sulfate	ME1201518	1.03	1.11	0.87
Adenosine-3^-5^-diphosphate	ME1201070	1.06	1.00	0.93
3-Ethylphenol	ME1201799	1.09	0.96	0.95
Quinaprilat	ME1201330	1.09	0.98	0.93
Pelargonic acid	ME1201020	1.03	0.96	1.02
D-Kynurenine	ME1201690	1.04	0.95	1.01
Nadide	ME1200809	1.04	0.94	1.02
Ectoine	ME1201049	1.06	0.93	1.01
Poloxamer-188	ME1201882	1.07	0.94	0.99
Hexaethylene glycol	ME1200822	1.06	0.94	1.00
Cyclopentolate	ME1201334	1.07	0.93	1.00
Irbesartan	ME1201480	1.07	0.93	1.00
Quinmerac	ME1201928	1.05	0.95	1.00
Capsidiol	ME1201211	1.05	0.95	0.99
Diethylpropion	ME1201294	1.06	0.95	0.99
Dodecanoic acid	ME1201047	1.05	0.97	0.99
Medroxyprogesterone	ME1201038	1.04	0.96	0.99
1-Methylnicotinamide	ME1200816	1.08	0.94	0.98
N-Acetyl-beta-alanine	ME1200889	1.09	0.94	0.97
Dihydrorhodamine 123	ME1201744	1.05	0.99	0.96
2-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol	ME1201878	1.05	0.97	0.97
Convolamine	ME1201256	1.05	0.98	0.97
7-Methoxycoumarin	ME1201618	1.06	0.97	0.98
Octopamine	ME1200903	1.06	0.97	0.97
muricin D	ME1201868	1.07	0.97	0.96
Nandrolone decanoate	ME1201287	1.07	0.96	0.97
Alanylarginine	ME1201692	1.03	1.02	0.95
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid	ME1201067	1.03	1.01	0.96
Dodecyl glucopyranoside	ME1200833	1.03	1.01	0.96
Paraxanthine	ME1201022	1.01	1.02	0.96
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol	ME1201792	1.01	1.03	0.97
Myricitrin	ME1201424	1.01	1.02	0.97
Isoprothiolane	ME1201413	1.01	1.04	0.96
Isolithocholic acid	ME1200942	1.02	1.03	0.96
Selenomethionine	ME1200951	1.02	1.03	0.95
PA(20:3(5Z,8Z,11Z)/24:0)	ME1201914	1.02	1.03	0.95
2,4-Diaminobutyric acid	ME1201291	1.02	1.03	0.95
Heneicosanoic acid	ME1201663	1.02	1.03	0.95
Lithocholic acid	ME1200872	1.05	1.03	0.92
(+)-Nicotine	ME1201817	1.05	1.03	0.92
1,4-Di-tert-butylbenzene	ME1201873	1.03	1.04	0.93
Galantamine	ME1201169	1.03	1.04	0.93
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate	ME1201848	1.02	1.05	0.93
Acyclovir	ME1201601	1.02	1.06	0.93
LPC(0:0/14:0)	ME1201045	0.99	1.09	0.92
Sodium polystyrene sulfonate	ME1201614	0.98	1.09	0.92
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine	ME1201510	0.98	1.10	0.92
9,10,13-Trihydroxystearic acid	ME1201559	0.98	1.10	0.92
Adenosine-5^-diphosphate	ME1200834	0.97	1.11	0.92
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	ME1201234	0.97	1.10	0.94
3-Hydroxycoumarin	ME1201514	0.97	1.10	0.93
1-Chloro-2-methylpropene	ME1201581	1.00	1.08	0.93
Oxoamide	ME1201281	0.99	1.08	0.93
Myosmine	ME1201202	1.01	1.07	0.92
Pregabalin	ME1201521	1.01	1.06	0.92
1,4-Naphthoquinone	ME1201513	1.01	1.05	0.94
Ranitidine	ME1201440	1.01	1.05	0.94
4-Nitrocatechol	ME1201694	1.00	1.04	0.95
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin	ME1201380	1.00	1.05	0.95
Ercalcitriol	ME1201392	1.00	1.05	0.95
1,1^-[1,12-Dodecanediylbis(oxy)]bisbenzene	ME1201589	0.99	1.05	0.96
Chloroxylenol	ME1201841	0.99	1.05	0.97
Isopentenyl pyrophosphate	ME1200999	0.98	1.07	0.95
6,10,14-Trimethylpentadecan-2-one	ME1201811	0.98	1.06	0.96
2-Octenoic acid, ethyl ester	ME1201231	0.99	1.06	0.95
Aldosterone	ME1200982	0.99	1.06	0.95
Cytidine-5^-monophosphate	ME1200931	0.97	1.08	0.94
1-nitrosonaphthalene	ME1201652	0.97	1.06	0.97
xi-5-Dodecanolide	ME1201194	0.97	1.07	0.97
Dexrazoxane	ME1201378	0.96	1.08	0.96
Norfludiazepam	ME1201840	0.97	1.08	0.96
Ethyl hexadecanoate	ME1201156	0.94	1.04	1.02
L-Threonine	ME1200824	0.93	1.05	1.02
alpha-Dimorphecolic acid	ME1201269	0.91	1.06	1.03
Fluphenazine sulfoxide	ME1201766	0.91	1.07	1.01
Furazolidone	ME1201241	0.95	1.05	1.00
Ganodosterone	ME1201525	0.95	1.05	1.00
Forchlorfenuron	ME1201245	0.96	1.05	0.99
10E,12Z-Octadecadienoic acid	ME1201364	0.95	1.06	0.99
11-Oxahexadecanolide	ME1201927	0.95	1.06	0.99
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine	ME1201802	0.97	1.05	0.98
Thiolutin	ME1201837	0.97	1.04	0.99
Metyrapone	ME1201323	0.93	1.07	0.99
1-Hexacosene	ME1201481	0.94	1.07	0.98
2-Phenoxyethanol	ME1200940	0.95	1.07	0.98
1-Phenyl-2-hexanone	ME1201871	0.92	1.09	0.99
Fraxidin	ME1201483	0.93	1.09	0.98
Norambreinolide	ME1200987	0.94	1.09	0.98
Oxyphenonium	ME1201760	1.03	0.99	0.98
Tetraethylene glycol	ME1201675	1.03	0.99	0.99
1-Aminocyclopropane-1-carboxylic acid	ME1201107	1.02	1.00	0.98
2-Acetyl-3-ethylpyrazine	ME1201471	1.03	1.00	0.97
(+)-Penbutolol	ME1201285	1.01	1.00	0.99
Procarbazine	ME1201447	1.01	0.99	1.00
Thymoquinone	ME1200847	1.01	0.99	1.00
6-Methylnicotinamide	ME1200976	1.02	0.98	1.00
Pirimicarb	ME1201357	1.03	0.97	1.00
2-(Dimethylamino)acetonitrile	ME1201866	1.02	0.97	1.01
Oxiglutatione	ME1200827	1.01	0.97	1.01
Gamma-Caprolactone	ME1200842	1.00	0.98	1.02
2-Propylthiophene	ME1201637	1.01	0.98	1.01
Cerebroside B	ME1201519	1.01	0.98	1.02
Mefenamic acid	ME1201482	0.98	1.03	0.99
12-Ketolithocholic acid	ME1200901	0.99	1.03	0.99
2-Phytyl-1,4-naphthoquinone	ME1201523	0.99	1.02	0.99
MG(0:0/19:0/0:0)	ME1201894	0.99	1.02	0.99
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid	ME1201904	1.00	1.02	0.98
Firefly luciferin	ME1200846	1.00	1.01	0.99
Butorphanol	ME1201325	0.96	1.01	1.03
3-Hydroxy-10^-apo-b,y-carotenal	ME1201529	0.98	1.01	1.01
Alpinine	ME1201564	0.98	1.00	1.01
Terbufos	ME1201155	0.97	1.00	1.03
Crotonic acid	ME1201141	0.98	1.00	1.02
Phlorizin	ME1201450	0.97	1.00	1.02
5,5-Dimethyl-2(5H)-furanone	ME1201354	0.95	1.04	1.01
Isofraxidin	ME1201263	0.96	1.03	1.01
3,4-Didehydrorhodopin	ME1201588	0.97	1.02	1.01
Miltefosine	ME1201806	0.97	1.02	1.02
Amodiaquine	ME1201489	0.97	1.03	1.00
Monocrotophos	ME1201375	0.97	1.03	1.00
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone	ME1201816	0.98	1.02	1.00
N-Phenylacetylphenylalanine	ME1201630	0.97	1.02	1.00
trans-2-Octenoic acid	ME1200971	0.95	0.98	1.07
Chlormequat	ME1201324	0.96	0.99	1.06
Pectolinarigenin	ME1201261	0.97	0.98	1.05
Sebacic acid	ME1200848	0.97	0.97	1.06
6-Butyltetrahydro-2H-pyran-2-one	ME1201408	0.98	0.96	1.06
Aurantio-obtusin	ME1201491	0.98	0.97	1.06
Indole	ME1200868	0.97	0.95	1.08
Methoxyphenamine	ME1201163	0.98	0.95	1.07
Glu-glu	ME1201358	1.04	0.92	1.04
2-Methoxy-5-nitroaniline	ME1201644	1.03	0.92	1.06
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol	ME1201843	1.03	0.92	1.05
Crotamiton	ME1201079	1.00	0.94	1.06
Triethylene glycol monomethyl ether	ME1201021	1.00	0.93	1.07
4-(Methylsulfanyl)-2-oxobutanoic acid	ME1201412	0.99	0.95	1.06
Leukotriene B4 ethanolamide	ME1201363	1.00	0.95	1.05
Isopalmitic acid	ME1201813	1.00	0.96	1.04
2-Phenylbutyric acid	ME1200865	1.01	0.96	1.04
D-Homocysteine	ME1200969	1.01	0.95	1.04
Nootkatone	ME1200913	1.01	0.95	1.04
4-Allylphenol	ME1201151	1.02	0.94	1.04
Vanillic acid	ME1201036	1.02	0.94	1.04
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine	ME1201838	1.01	0.94	1.05
Glycerol Tributyrate	ME1201684	1.01	0.93	1.05
Nicotine	ME1201765	1.04	0.86	1.10
Phenylalanylphenylalanine	ME1200963	1.04	0.86	1.09
Dimethyl fumarate	ME1201586	1.03	0.87	1.10
Laudanosine	ME1201195	1.03	0.87	1.11
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	ME1201061	1.02	0.87	1.11
MG(18:0/0:0/0:0)	ME1201091	1.02	0.87	1.11
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME1201706	1.03	0.88	1.09
Colchicine	ME1201376	1.02	0.88	1.10
12-HOME	ME1201551	1.06	0.85	1.08
xi-Dihydro-5-octyl-2(3H)-furanone	ME1201383	1.05	0.87	1.08
Scopoletin	ME1201254	1.05	0.87	1.08
Simeconazole	ME1201419	1.05	0.87	1.08
N5-methylglutamine	ME1201898	1.04	0.88	1.08
20-HETE	ME1200985	1.04	0.89	1.07
2,3,4,5-Tetrahydroxypentanoic acid	ME1201622	1.04	0.89	1.07
(E)-2-Butenyl-4-methyl-threonine	ME1201547	1.05	0.88	1.07
Mephentermine	ME1201186	1.05	0.88	1.07
2-Hydroxyibuprofen	ME1201785	1.08	0.88	1.05
3-(3-Methoxyphenyl)Propionic Acid	ME1200965	1.06	0.87	1.07
Monoisobutyl phthalate	ME1201161	1.07	0.87	1.06
Enoxacin	ME1201089	0.99	0.86	1.16
Betamipron	ME1201226	0.99	0.87	1.15
2,5-Dimethyl-3(2H)-furanone	ME1201611	0.99	0.86	1.15
LPE(16:0/0:0)	ME1201043	0.99	0.86	1.15
VERBENONE	ME1201731	0.97	0.87	1.16
Sumiki^s acid	ME1200909	0.96	0.87	1.16
Telmisartan	ME1201319	0.96	0.87	1.17
2,2,6,6-Tetramethyl-4-piperidinone	ME1200882	0.97	0.88	1.15
Imiquimod	ME1201253	0.97	0.88	1.15
Agroclavine	ME1201627	0.96	0.89	1.15
Dihydroactinidiolide	ME1200869	0.96	0.89	1.15
Phytosphingosine	ME1201090	0.97	0.94	1.09
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	ME1201846	0.96	0.94	1.10
Butopyronoxyl	ME1201185	0.97	0.93	1.10
2,3-diketo-L-gulonate	ME1201925	0.96	0.92	1.12
Aminopentol	ME1201507	0.97	0.92	1.12
Uracil	ME1200840	0.96	0.93	1.12
Zedoarondiol	ME1201508	0.95	0.93	1.12
3-Methylmethcathinone	ME1201719	1.02	0.90	1.09
2,3-Dihydropyrimidin-4-amine	ME1201603	0.99	0.92	1.09
Heptethylene glycol	ME1200938	0.98	0.91	1.11
10-Formyldihydrofolate	ME1201503	1.00	0.89	1.11
4-Oxo-2-nonenal	ME1201789	0.99	0.90	1.10
Atractylenolide III	ME1201075	1.00	0.90	1.10
Glutaminylalanine	ME1201197	0.97	0.90	1.13
Bepridil	ME1201283	1.01	0.87	1.12
Irinotecan	ME1201462	1.00	0.87	1.13
Mexiletine	ME1201187	0.99	0.89	1.12
Ecdysone	ME1201005	0.99	0.88	1.13
Hyocholic acid	ME1201011	0.99	0.88	1.13
Dihydroferulic acid	ME1200918	0.91	0.87	1.23
TRIETHYL PHOSPHATE	ME1201671	0.90	0.86	1.23
D-Camphor	ME1201729	0.92	0.87	1.21
2,6-di-tert-butyl-1,4-benzoquinone	ME1201050	0.91	0.89	1.21
Indecainide	ME1201629	0.91	0.88	1.21
4-Hydroxy-3-methoxycinnamaldehyde	ME1201092	0.92	0.84	1.24
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	ME1201557	0.94	0.86	1.21
N-Methylputrescine	ME1201340	0.94	0.84	1.22
Hexylresorcinol	ME1201003	0.86	0.92	1.22
1,3-Dicyclohexylurea	ME1201714	0.89	0.91	1.20
Trp-Pro	ME1201937	0.88	0.91	1.21
6-Methyl-5-hepten-2-one	ME1201158	0.88	0.90	1.22
1-Phenyl-1,3-eicosanedione	ME1201402	0.89	0.90	1.21
Tetraethylammonium	ME1201120	0.88	0.90	1.21
Dioctyl phthalate	ME1201711	0.90	0.92	1.18
Dazomet	ME1201720	0.92	0.89	1.18
N-Methylhydantoin	ME1201002	0.92	0.90	1.18
Diaveridine	ME1201712	0.91	0.91	1.18
Diethyltoluamide	ME1201059	0.91	0.90	1.19
Acetylcholine	ME1201208	0.94	0.88	1.18
2-Mercaptobenzothiazole	ME1201062	0.94	0.90	1.16
Phenol	ME1200855	0.93	0.90	1.17
(-)-alpha-Terpineol	ME1201004	0.94	1.01	1.06
Myristoleic acid	ME1200891	0.94	1.01	1.05
Pulegone	ME1201088	0.93	1.03	1.04
Ferulic acid	ME1201339	0.93	1.02	1.05
Piperitone	ME1201001	0.92	1.02	1.05
Carnitine-2-methyl-C4	ME1201083	0.90	1.02	1.08
Dihydro-5-propyl-2(3H)-furanone	ME1201248	0.89	1.02	1.09
Carbazole	ME1201695	0.89	1.06	1.06
Luffariellolide	ME1201305	0.91	1.04	1.05
2,3-Dihydrobenzofuran	ME1200960	0.85	0.99	1.16
2-Amino-1-phenylethanol	ME1200808	0.87	0.98	1.15
Terbinafine	ME1201224	0.90	0.99	1.11
N,N,N-Trimethyl-Histidine	ME1201623	0.87	0.99	1.13
Cuminaldehyde	ME1200856	0.89	0.99	1.13
Epsilon-caprolactam	ME1200826	0.88	0.99	1.13
O-Toluidine	ME1201118	0.89	0.98	1.14
Pentostatin	ME1201210	0.89	0.98	1.13
Ethosuximide	ME1201436	0.91	0.96	1.13
Metformin	ME1201179	0.91	0.97	1.12
N-Acetylarylamine	ME1201485	0.92	0.93	1.14
Chlorbufam	ME1201466	0.92	0.94	1.14
β-Alanine	ME1200919	0.92	0.94	1.14
Voriconazole	ME1201431	0.93	0.94	1.13
Cetaben	ME1201753	0.93	0.94	1.13
DL-Pyroglutamic acid	ME1201076	0.93	0.94	1.13
4,5-Dihydropiperlonguminine	ME1201069	0.92	0.95	1.13
LPC(0:0/22:5)	ME1201715	0.93	0.95	1.12
Bis(2-ethylhexyl) phthalate	ME1201064	0.91	0.93	1.16
Nopol	ME1201555	0.91	0.93	1.15
1-Deoxyvaleric-acid	ME1201709	0.91	0.94	1.14
LPC(O-16:0/2:0)	ME1201154	0.91	0.95	1.14
N-(3-(Aminomethyl)benzyl)acetamidine	ME1201786	0.91	0.95	1.14
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine	ME1201167	0.90	0.95	1.15
Tamsulosin	ME1201102	0.91	0.95	1.15
Adrenosterone	ME1201041	0.92	1.00	1.08
Salmeterol	ME1201315	0.93	1.00	1.08
Prima-1	ME1200974	0.92	0.97	1.11
2-Acetylpyrazine	ME1200871	0.93	0.97	1.10
Prednisolone tebutate	ME1201527	0.93	0.97	1.11
(E,E)-2,4-heptadienal	ME1201876	0.93	0.98	1.09
Sphinganine	ME1200863	0.94	0.97	1.09
Menatetrenone	ME1201086	0.85	1.09	1.06
N-retinylidene-N-retinylethanolamine	ME1201516	0.87	1.08	1.05
Armillaricin	ME1201561	0.86	1.12	1.02
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	ME1201707	0.84	1.11	1.05
Methylcyclopentane	ME1201610	0.85	1.11	1.04
Cyanophos	ME1201457	0.88	1.12	1.00
δ-Valerolactam	ME1201065	0.88	1.12	1.00
p-Coumaroyltyramine	ME1201464	0.90	1.12	0.98
Conessine	ME1201314	0.90	1.11	1.00
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	ME1201732	0.90	1.11	0.99
3-Oxolanosta-7,24Z-dien-26-oic acid	ME1201951	0.90	1.11	0.99
Sphinganine-1-phosphocholine	ME1201856	0.85	1.15	1.00
Benzophenone	ME1200905	0.85	1.15	1.01
Doxercalciferol	ME1201329	0.85	1.14	1.01
1,2-Ethanedithiol	ME1201597	0.87	1.14	0.99
Deterrol stearate	ME1201651	0.87	1.15	0.98
L-Isoleucine	ME1201106	0.81	1.16	1.03
1,2-Dimyristoyl-sn-glycero-3-phosphocholine	ME1201302	0.83	1.17	1.00
2-Hydroxy-2-methylbutyric acid	ME1200952	0.81	1.18	1.01
Maslinic acid	ME1200925	0.87	1.18	0.96
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate	ME1201425	0.89	1.18	0.93
(S)-3-Octanol glucoside	ME1201570	0.84	1.22	0.94
Finasteride	ME1201492	0.84	1.18	0.98
1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine	ME1201764	0.83	1.20	0.97
Vitamin K	ME1201246	0.83	1.20	0.97
PE(P-16:0/18:2(9Z,12Z))	ME1201585	0.69	1.32	0.99
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	ME1201782	0.71	1.28	1.01
beta-D-glucosyl-N-[(17Z)-hexacosenoyl]sphingosine	ME1201897	0.72	1.28	1.00
Muricatocin B	ME1201628	0.76	1.31	0.93
PA(P-16:0/18:2(9Z,12Z))	ME1201530	0.75	1.30	0.95
4-Hydroxystyrene	ME1201574	0.79	1.27	0.94
Diallyl disulfide	ME1201645	0.80	1.29	0.91
Lactucaxanthin	ME1201568	0.80	1.28	0.92
Obacunone	ME1201170	0.75	1.28	0.97
Ginsenoside Rg3	ME1201126	0.75	1.27	0.98
PS(18:0/20:4)	ME1201460	0.74	1.27	0.98
Disogluside	ME1201071	0.77	1.26	0.97
Alfentanil	ME1201258	0.76	1.25	0.99
Fasciculic acid C	ME1201386	0.77	1.25	0.99
1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	ME1201758	0.79	1.24	0.97
1-Tetracosanoyl-sn-glycero-3-phosphocholine	ME1201787	0.80	1.23	0.97
PAz-PC	ME1201659	0.80	1.22	0.97
3-Penten-2-one	ME1201369	0.77	1.22	1.02
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	ME1201773	0.78	1.21	1.01
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one	ME1201520	0.79	1.21	1.00
Glyc-Pro	ME1201027	0.78	1.22	1.00
1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine	ME1201741	0.87	1.30	0.84
4-Nitrobiphenyl	ME1201620	0.81	1.36	0.83
Auda	ME1201942	0.82	1.34	0.84
Guaifenesin	ME1201426	0.83	1.34	0.83
1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine	ME1201347	0.84	1.36	0.80
4-Methylene-L-proline	ME1201619	0.86	1.33	0.80
Geranyllinalool	ME1201365	0.78	1.39	0.83
Glucuronic Acid	ME1200908	0.79	1.44	0.77
Demeton-S-methyl	ME1201390	0.81	1.42	0.77
Stigmatellin Y	ME1201847	0.81	1.41	0.78
4-Hydroxyphenylglyoxylic acid	ME1201147	0.86	1.24	0.90
Morpholine	ME1201136	0.85	1.28	0.87
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	ME1201857	0.83	1.28	0.89
Vitamin E	ME1201747	0.84	1.26	0.90
Bacteriohopanetetrol glucosamine	ME1201881	0.88	1.21	0.90
Spirilloxanthin	ME1201563	0.90	1.21	0.89
1-docosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	ME1201859	0.90	1.22	0.88
Dehydrocostus lactone	ME1201266	0.90	1.22	0.88
3-Hydroxylidocaine	ME1201926	0.93	1.20	0.88
5-fluoroindole-2-carboxylic acid	ME1201687	0.92	1.20	0.88
Busulfan	ME1201353	0.92	1.18	0.90
Glutathione	ME1200831	0.91	1.19	0.90
Imidazolepropionic acid	ME1201016	0.92	1.27	0.81
Benzoylagmatine	ME1201907	0.91	1.24	0.85
Amphetamine	ME1201545	0.91	1.25	0.84
AS 1-5	ME1201954	0.92	1.25	0.83
γ-Aminobutyric Acid	ME1201915	0.94	1.21	0.85
1-Phenylethanol	ME1200944	0.94	1.24	0.82
2-Acetylfuran	ME1200943	0.96	1.23	0.81
2-Amino-2-methyl-1,3-propanediol	ME1201676	0.96	1.22	0.83
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine	ME1201941	0.64	1.17	1.19
3-Hydroxytetradecanedioic acid	ME1201536	0.68	1.18	1.15
Colfosceril palmitate	ME1201078	0.71	1.15	1.15
Terfenadine	ME1201496	0.71	1.15	1.15
5,5-Dimethyl-1-pyrroline N-oxide	ME1201724	0.72	1.13	1.15
(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide	ME1201834	0.71	1.13	1.16
Ampicillin	ME1201335	0.70	1.21	1.09
Mycolactone E	ME1201854	0.71	1.23	1.06
2(5H)-Furanone	ME1201192	0.60	1.29	1.11
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	ME1201864	0.66	1.28	1.06
2-Butyne-1,4-diol	ME1201888	0.63	1.27	1.10
Exemestane	ME1201461	0.65	1.25	1.10
Citromitin	ME1201761	0.80	1.10	1.09
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one	ME1201534	0.80	1.13	1.07
(R)-Sulcatol	ME1201696	0.80	1.12	1.08
Bamethan	ME1201807	0.78	1.13	1.09
Melatonin	ME1200991	0.78	1.14	1.08
Diosgenin	ME1201395	0.75	1.12	1.13
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine	ME1201755	0.75	1.10	1.15
Xylazine	ME1201781	0.75	1.11	1.14
Sarmentosin epoxide	ME1201641	0.77	1.09	1.14
1-Oleoyl-2-acetyl-sn-glycerol	ME1201119	0.78	1.10	1.12
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	ME1201727	0.79	1.08	1.13
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide	ME1201355	0.79	1.08	1.12
Eletriptan	ME1201428	0.82	1.04	1.13
2,4-Hexadienoic acid	ME1200975	0.83	1.06	1.11
2-Amino-6-methoxypurine	ME1201757	0.85	1.06	1.09
Linalyl acetate	ME1201344	0.84	1.05	1.11
3,3^-Dimethylbenzidine	ME1201818	0.85	1.05	1.11
Alitretinoin	ME1201454	0.85	1.05	1.10
1-Cyano-2-hydroxy-3-butene	ME1201634	0.86	1.03	1.11
Ethephon	ME1201250	0.85	1.02	1.13
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate	ME1201738	0.83	0.99	1.18
4-Hydroxycoumarin	ME1201081	0.83	1.00	1.17
25-Hydroxyvitamin D2	ME1200978	0.83	1.01	1.16
2-Hydroxyquinoline	ME1201237	0.82	1.02	1.17
Estrone	ME1200870	0.82	1.02	1.17
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate	ME1201959	0.77	1.06	1.18
Calcipotriol	ME1201280	0.79	1.04	1.17
1,2-Didecanoyl-sn-glycero-3-phosphocholine	ME1201131	0.65	1.05	1.29
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine	ME1201213	0.65	1.04	1.31
N-Nitroso-pyrrolidine	ME1201389	0.69	1.00	1.31
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane	ME1201577	0.72	0.99	1.29
Levoglucosan	ME1200896	0.71	1.02	1.28
Prolyl-Histidine	ME1201490	0.70	1.02	1.29
Naphazoline	ME1201270	0.62	1.10	1.27
TRIMETAZIDINE	ME1201779	0.70	1.08	1.22
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	ME1201301	0.68	1.08	1.25
2-Hydroxy-2-methylpropanal	ME1201584	0.67	1.09	1.24
(2E)-Decenoyl-ACP	ME1200898	0.77	1.02	1.21
Pentadecylamine	ME1201672	0.78	1.02	1.21
O-Methylisourea	ME1201815	0.73	1.03	1.24
1-Phenylpiperazine	ME1201824	0.75	1.00	1.25
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME1201142	0.76	1.01	1.23
Cyclopamine	ME1201229	0.78	0.96	1.26
D-Ornithine	ME1201024	0.77	0.96	1.27
Phe-Pro	ME1201009	0.78	0.97	1.25
Propyzamide	ME1201826	0.79	0.96	1.24
Fipexide	ME1200959	0.79	0.90	1.30
(3S)-2-oxo-3-phenylbutyric acid	ME1201533	0.78	0.93	1.29
Nitrofurazone	ME1201422	0.78	0.93	1.28
Isophorone	ME1201035	0.80	0.92	1.28
Selegiline	ME1201407	0.79	0.92	1.29
Benzamide	ME1200858	0.87	0.95	1.18
psi-Pelletierine	ME1201661	0.85	0.96	1.19
Diisobutyl phthalate	ME1201096	0.82	0.93	1.24
Tangeraxanthin	ME1201860	0.83	0.93	1.24
Flurandrenolide	ME1201133	0.84	0.94	1.22
Hydroxyquinoline	ME1201173	0.83	0.94	1.23
Dodecanedioic acid	ME1200941	0.83	0.96	1.21
2-Pyrrolidinone	ME1201103	0.81	0.97	1.22
Prostaglandin D1	ME1200964	0.81	0.97	1.21
1,2-Dierucoyl-sn-glycero-3-phosphocholine	ME1201742	0.56	1.69	0.75
5-Methylthiopentanaldoxime	ME1201553	0.58	1.63	0.80
Arachidonoyl PAF C-16	ME1201796	0.58	1.65	0.77
1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine	ME1201768	0.60	1.63	0.77
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	ME1201892	0.60	1.62	0.78
Picolinamide	ME1201127	0.68	1.56	0.75
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine	ME1201771	0.60	1.58	0.82
2-Phenylethanol	ME1201809	0.57	1.58	0.85
1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	ME1201774	0.64	1.56	0.81
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine	ME1201861	0.64	1.58	0.79
Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)-	ME1201891	0.62	1.52	0.86
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME1201900	0.64	1.53	0.83
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	ME1201723	0.53	1.45	1.02
[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	ME1201275	0.53	1.50	0.97
Tiopronin	ME1201820	0.56	1.49	0.96
2-Amino-5-chlorophenol	ME1201632	0.63	1.40	0.97
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate	ME1201958	0.64	1.34	1.02
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	ME1201957	0.73	1.35	0.92
1-Butanol	ME1201592	0.74	1.38	0.87
9-Decenal	ME1201181	0.76	1.37	0.88
9-Octadecenal	ME1201421	0.73	1.38	0.89
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	ME1201704	0.72	1.39	0.89
delta-Hexanolactone	ME1200936	0.72	1.39	0.89
Mepiquat chloride	ME1201598	0.70	1.40	0.90
N-Ethylacetamide	ME1200880	0.70	1.39	0.91
N-Palmitoyldihydrosphingomyelin	ME1201602	0.60	1.49	0.91
PE-NMe2(16:0/16:0)	ME1201772	0.65	1.47	0.88
5-Hydroxypyrrole-2-carboxylic acid	ME1201922	0.66	1.43	0.91
Isoquinoline	ME1201382	0.65	1.44	0.91
4-Deoxyannoreticuin	ME1201909	0.82	1.51	0.67
Ethyl trans-2-hexenoate	ME1201129	0.81	1.54	0.65
3^-Hydroxy Repaglinide(Mixture of Diastereomers)	ME1201775	0.78	1.50	0.72
Sulforaphane	ME1201653	0.79	1.52	0.68
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate	ME1201863	0.77	1.53	0.70
5alpha-Androstane-3alpha,17beta-diol	ME1201206	0.78	1.53	0.69
Dibasic sodium phosphate	ME1201554	0.89	1.42	0.69
Dichlofenthion	ME1201356	0.88	1.43	0.69
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	ME1201132	0.84	1.45	0.70
Cortexolone	ME1200933	0.82	1.47	0.70
Diallyl sulfide	ME1201621	0.79	1.74	0.47
Etilamfetamine	ME1201756	0.77	1.63	0.60
xI-Dihydro-2-methyl-3(2H)-thiophenone	ME1201850	0.83	1.63	0.54
8,15-Dihete	ME1201145	0.81	1.62	0.57
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	ME1201794	0.80	1.65	0.55
Parecoxib	ME1201835	0.79	1.64	0.57
Mycophenolate mofetil	ME1201332	1.00	1.24	0.77
(10)-Gingerol	ME1201138	1.03	1.23	0.74
Phytol	ME1201829	1.02	1.22	0.75
Dihomo-gamma-linolenoylethanolamide	ME1201180	0.96	1.26	0.79
Taurine	ME1200862	0.97	1.27	0.77
5-Methylangelicin	ME1201639	0.99	1.27	0.73
Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)-	ME1201328	0.97	1.29	0.74
Erythorbic acid	ME1201394	0.98	1.30	0.72
Octadecylamine	ME1201400	0.94	1.35	0.71
Polytuftsin	ME1201484	0.95	1.35	0.70
2-Hydroxyfluorene	ME1201025	0.96	1.36	0.68
Ile-Met	ME1201458	0.98	1.35	0.68
Glycerol 1-(5-hydroxydodecanoate)	ME1201582	0.92	1.36	0.71
Diazoxide	ME1201468	0.91	1.37	0.72
Naled	ME1201916	0.91	1.38	0.71
GcNeu	ME1200956	0.90	1.34	0.76
Tamoxifen	ME1201277	0.91	1.35	0.74
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME1201298	0.98	1.38	0.64
Acetoacetic acid	ME1201318	1.05	1.33	0.62
Cholest-5-en-3beta-yl nonadecanoate	ME1201648	1.01	1.35	0.64
Ursolic acid	ME1201437	1.01	1.33	0.66
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate	ME1201884	1.02	1.33	0.65
Guanosine-5^-diphosphate	ME1200843	1.03	1.32	0.65
Hypotaurine	ME1200958	1.03	1.32	0.65
Hexadecylamine	ME1201668	1.00	1.50	0.49
Tridihexethyl	ME1201649	1.02	1.49	0.49
p-Hydroxyphenylacetothiohydroximate	ME1201931	0.93	1.53	0.55
Valeryl-4-hydroxyvalsartan	ME1201805	0.95	1.51	0.54
Tizanidine hydrochloride	ME1201612	1.19	1.34	0.48
Corticosterone	ME1200970	1.12	1.37	0.52
4,4^-Dichlorobenzophenone	ME1201459	1.13	1.37	0.50
Amiodarone	ME1201488	1.13	1.38	0.49
Actinorhodin	ME1201595	1.11	1.42	0.48
Aniline	ME1200841	1.10	1.43	0.48
N-(Hydroxymethyl)acrylamide	ME1201844	1.08	1.42	0.51
Quinone	ME1201417	1.05	1.44	0.51
Shogaol	ME1201148	0.58	1.18	1.25
1-Deoxynojirimycin	ME1200955	0.53	1.09	1.38
7alpha-Hydroxycholesterol	ME1201384	0.50	1.16	1.34
1,2-Dilinoleoyl-SN-glycero-3-phosphocholine	ME1201190	0.45	1.18	1.37
Nortriptyline	ME1201306	0.47	1.14	1.39
13,14-Dihydro PGF-1a	ME1201822	0.27	1.38	1.35
1-(Ammoniomethyl)cycloheaxaneacetate	ME1201730	0.35	1.22	1.42
trans-Sulindac	ME1201465	0.89	0.37	1.74
Tyrosyltyrosine	ME1201037	0.87	0.33	1.79
N-[4-(3-acetamidopropylamino)butyl]acetamide	ME1201903	0.78	0.37	1.86
Isoleucylleucine	ME1201940	0.84	0.28	1.88
TG(8:0/8:0/8:0)	ME1201259	0.77	0.29	1.93
2-Acetyl-3-methylpyrazine	ME1201159	0.72	0.22	2.06
Fumitremorgin C	ME1201293	0.92	0.11	1.97
Secoisolariciresinol	ME1201439	1.11	0.08	1.81
Isonicotinic acid	ME1201110	1.16	0.24	1.60
Leu-Val	ME1201936	1.14	0.32	1.54
4-Methylcatechol	ME1201029	0.64	0.69	1.67
Niacinamide	ME1200811	0.62	0.69	1.69
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone	ME1201737	0.60	0.69	1.72
Benthiavalicarb-isopropyl	ME1201233	0.61	0.66	1.73
Lopinavir	ME1201105	0.61	0.66	1.72
(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one	ME1201658	0.54	0.73	1.73
Flurazepam	ME1201359	0.56	0.76	1.68
1,2-Dihydronaphthalene-1,2-diol	ME1201869	0.46	0.76	1.78
Indolepyruvate	ME1201635	0.52	0.65	1.83
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid	ME1201019	0.53	0.67	1.80
Furfuryl alcohol	ME1201042	0.52	0.69	1.79
Atazanavir	ME1201438	0.72	0.63	1.66
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	ME1201506	0.72	0.64	1.65
Iminodiacetic acid	ME1200935	0.72	0.63	1.65
alpha-Hydroxyisobutyric acid	ME1200949	0.73	0.64	1.64
Urate D-ribonucleotide	ME1201923	0.74	0.64	1.63
Bucharaine	ME1201153	0.76	0.62	1.63
Piperidine	ME1200853	0.76	0.60	1.64
4-Ethylphenol	ME1201522	0.76	0.58	1.66
Cycloheximide	ME1201230	0.74	0.59	1.67
2-Aminopropiophenone	ME1201705	0.68	0.65	1.66
Dehydropipernonaline	ME1201217	0.69	0.65	1.66
Abietic acid	ME1200990	0.70	0.63	1.67
L-Phenylalanine	ME1200807	0.69	0.64	1.67
Phenethylamine	ME1200883	0.68	0.64	1.68
3,4-Dihydroxybenzylamine	ME1201638	0.68	0.63	1.69
Guanidinosuccinic acid	ME1200887	0.66	0.64	1.70
2,8-Quinolinediol	ME1201267	0.67	0.60	1.73
Benzoylecgonine	ME1201113	0.68	0.60	1.72
Citraconic anhydride	ME1201851	0.69	0.60	1.71
Biopterin	ME1200981	0.72	0.61	1.67
Dexamisole	ME1201391	0.72	0.59	1.69
Piperazine	ME1201040	0.71	0.59	1.70
Asp-Lys	ME1201028	0.74	0.72	1.54
Flubendazole	ME1201750	0.73	0.72	1.55
Hexanoylglycine	ME1201587	0.71	0.68	1.61
Harmaline	ME1200966	0.73	0.67	1.60
LPE(16:1/0:0)	ME1201804	0.74	0.68	1.58
Yohimbine	ME1201451	0.73	0.69	1.58
4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate	ME1201946	0.73	0.68	1.59
Serotonin	ME1200879	0.73	0.68	1.59
DL-Leucine	ME1200878	0.74	0.70	1.57
Methylmalonic Acid	ME1201607	0.71	0.71	1.58
Coenzyme Q8	ME1201858	0.72	0.70	1.57
Pyracarbolid	ME1201216	0.72	0.70	1.58
Chloramphenicol	ME1201469	0.67	0.71	1.61
Lys-Asp	ME1200994	0.68	0.69	1.63
2-Hydroxycinnamic acid	ME1200934	0.70	0.73	1.57
Pyridoxal	ME1200829	0.70	0.72	1.58
Glyburide	ME1201427	0.67	0.76	1.57
Bisphenol A	ME1201734	0.68	0.74	1.58
Dihydrokavain	ME1200860	0.68	0.74	1.57
N-Hydroxy-L-asparagine	ME1201515	0.62	0.78	1.60
Perindopril erbumine	ME1201600	0.65	0.79	1.56
3-Hydroxypalmitoylcarnitine	ME1201057	0.65	0.78	1.57
Carnitine C18:1	ME1201063	0.64	0.79	1.57
Palmitoylcarnitine	ME1201728	0.64	0.74	1.62
Darifenacin	ME1201477	0.60	0.73	1.66
3-(pyrazol-1-yl)-L-alanine	ME1201573	0.61	0.75	1.64
Ethyl vanillin	ME1201013	0.60	0.77	1.63
Moschamine	ME1201405	0.67	0.45	1.88
21-Deoxycortisol	ME1201473	0.59	0.47	1.94
Tetrahydropalmatine	ME1201220	0.63	0.44	1.93
Felbamate	ME1201174	0.61	0.45	1.94
Clomipramine	ME1201146	0.61	0.46	1.93
3^^-Chloro-3^^-deoxytriphasiol	ME1201664	0.62	0.46	1.92
Enantio-PAF C-16	ME1201657	0.61	0.47	1.92
LPC(16:1/0:0)	ME1201511	0.64	0.50	1.86
Genipin	ME1200914	0.61	0.49	1.90
Cinnamic Acid	ME1201008	0.58	0.52	1.91
N-Methylbenzylamine	ME1200916	0.60	0.52	1.88
Tyramine	ME1200899	0.55	0.58	1.86
Cyclocreatine	ME1201887	0.58	0.55	1.87
Pipecolic acid	ME1200850	0.59	0.56	1.85
Sdccgsbi-0051046.P002	ME1201752	0.52	0.58	1.90
Endomorphin 2	ME1201938	0.52	0.57	1.92
L-Norleucine	ME1200857	0.53	0.57	1.91
7-Hydroxychlorpromazine	ME1201808	0.54	0.52	1.94
Dehydroascorbic acid	ME1200912	0.51	0.53	1.96
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME1201693	0.62	0.60	1.78
Dihydrobiopterin	ME1200923	0.62	0.59	1.80
Glu-Met	ME1200888	0.61	0.59	1.80
2-Aminobenzoic acid	ME1201322	0.64	0.55	1.81
Norethindrone	ME1201176	0.62	0.57	1.81
Indoleacetic acid	ME1200917	0.66	0.55	1.79
Pentamidine	ME1201222	0.67	0.57	1.77
2^,5^-Dihydroxyacetophenone	ME1200954	0.69	0.54	1.77
3^,4^-Dihydroxyacetophenone	ME1201232	0.68	0.55	1.77
Rufloxacin	ME1201333	0.68	0.55	1.77
Dicyclohexylamine	ME1201823	0.68	0.52	1.80
Melamine	ME1201189	0.71	0.52	1.77
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine	ME1201944	0.73	0.47	1.80
4-Hydroxy-l-tryptophan	ME1201100	0.73	0.50	1.77
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	ME1201053	0.74	0.49	1.78
Selenocysteine	ME1201918	0.74	0.49	1.77
Fenoterol	ME1201331	0.80	0.45	1.75
Gnoscopine	ME1201244	0.79	0.45	1.76
3-Hydroxypropanal	ME1201576	0.81	0.48	1.71
Hydroxyomeprazole	ME1201831	0.85	0.45	1.70
Myristoylcarnitine	ME1201708	0.72	0.92	1.36
Pheniramine	ME1201420	0.76	0.90	1.34
2^-Deoxyuridine	ME1200957	0.71	0.81	1.47
Epigallocatechin gallate	ME1201309	0.75	0.81	1.44
L-Valine	ME1200812	0.73	0.82	1.45
Tyr-Phe	ME1201790	0.76	0.84	1.41
2,4,5-Trimethoxybenzaldehyde	ME1201345	0.74	0.86	1.40
L-Palmitoylcarnitine	ME1201051	0.74	0.86	1.40
Tetranor-12(S)-hete	ME1201945	0.80	0.82	1.37
Germacrone	ME1201095	0.78	0.83	1.39
Hexetidine	ME1201778	0.78	0.82	1.40
3-Formylsalicylic acid	ME1201080	0.58	0.95	1.47
Tosyl-L-lysine chloromethyl ketone	ME1201032	0.53	0.97	1.49
o-Xylene	ME1201839	0.61	1.00	1.38
Quinine	ME1200915	0.65	0.97	1.38
Benzyl isothiocyanate	ME1201479	0.64	0.95	1.41
Pyridine	ME1201058	0.65	0.94	1.41
Polyethylene, oxidized	ME1201541	0.69	0.91	1.40
L-Proline	ME1200810	0.69	0.87	1.44
4-Pentenoic acid	ME1200973	0.66	0.91	1.43
Ciclesonide	ME1201282	0.65	0.89	1.46
Methyl nicotinate	ME1201046	0.64	0.91	1.45
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine	ME1201812	0.62	0.88	1.49
Isorenieratene	ME1201599	0.67	0.84	1.49
Sarsasapogenin	ME1201228	0.39	0.94	1.66
Docosahexaenoyl Ethanolamide	ME1201160	0.49	0.90	1.61
Costunolide	ME1201112	0.59	0.86	1.55
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid	ME1201271	0.55	0.85	1.60
Camphene	ME1201393	0.54	0.86	1.60
6-Keto-prostaglandin F1alpha	ME1201044	0.59	0.82	1.59
Apocarotenal	ME1201311	0.57	0.83	1.60
Trans-Zeatin	ME1200886	1.00	0.64	1.36
Piperine	ME1200906	0.99	0.65	1.36
Gingerol	ME1201366	0.98	0.66	1.36
N-methyl-L-glutamic Acid	ME1200894	0.99	0.66	1.35
Diphenidol	ME1201140	1.07	0.61	1.32
Lithospermoside	ME1200998	1.06	0.60	1.34
LPC(18:1/0:0)	ME1200866	0.88	0.65	1.47
Dyphylline	ME1201430	0.90	0.62	1.48
gamma-Glutamyl-2-aminobutyrate	ME1201908	0.92	0.63	1.45
Neopine	ME1201290	0.94	0.66	1.41
Triethylenetetramine	ME1200926	0.93	0.67	1.40
Diltiazem	ME1201445	0.96	0.65	1.39
Fluometuron	ME1201362	0.95	0.64	1.41
MG(18:1/0:0/0:0)	ME1200902	0.98	0.61	1.41
Choline	ME1200813	0.95	0.62	1.43
Oxyphencyclimine	ME1201171	0.96	0.60	1.44
Isobavachalcone	ME1201257	0.95	0.61	1.44
2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one	ME1201836	0.95	0.60	1.45
Isopropalin	ME1201292	0.95	0.60	1.44
(8)-Gingerol	ME1201251	1.04	0.49	1.47
Dioleoylphosphatidylcholine	ME1201512	1.00	0.55	1.45
Minocycline	ME1201326	0.99	0.57	1.44
Deethylatrazine	ME1201608	1.01	0.59	1.40
Sethoxydim	ME1201144	1.03	0.58	1.40
2-Phospho-D-Glyceric Acid	ME1201015	1.02	0.56	1.42
Linezolid	ME1201373	1.04	0.55	1.41
S-(5-Adenosy)-L-Homocysteine	ME1200837	0.83	0.74	1.43
Trp-His	ME1201700	0.84	0.75	1.41
Valsartan	ME1201295	0.84	0.76	1.40
Isoniazid	ME1201288	0.79	0.77	1.44
P-Toluenesulfonamide	ME1201680	0.79	0.79	1.41
Asn-Trp	ME1201939	0.84	0.71	1.45
Trileucine	ME1201278	0.85	0.72	1.43
Dimethyl suberate	ME1201371	0.87	0.67	1.45
4beta-Hydroxycholesterol	ME1201801	0.87	0.69	1.43
Carnitine isoC4:0	ME1200830	0.86	0.69	1.45
FAPy-adenine	ME1200885	0.86	0.70	1.44
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole	ME1201033	0.83	0.66	1.51
Allantoin	ME1200946	0.81	0.68	1.51
Fenethylline	ME1201749	0.84	0.69	1.47
Ketoprofen	ME1201381	0.85	0.69	1.46
2-(Octylthio)ethanol	ME1201279	0.83	0.68	1.49
L-Tryptophanamide	ME1200989	0.82	0.69	1.49
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol	ME1201733	0.85	0.67	1.48
Dipivefrin	ME1201135	0.84	0.67	1.49
8-Hydroxyguanosine	ME1200986	0.77	0.70	1.53
Azacitidine	ME1201349	0.77	0.69	1.53
4-Hydroxycinnamic acid	ME1200838	0.76	0.71	1.53
Hydroxytyrosol	ME1201134	0.76	0.72	1.52
1-Methylpyrrolinium	ME1201893	0.77	0.73	1.50
Etofenamate	ME1201800	0.79	0.71	1.50
LPE(18:2/0:0)	ME1201360	0.80	0.71	1.49
8-Demethyl-8-(dimethylamino)riboflavin	ME1201453	0.79	0.70	1.52
L-Tyrosine	ME1200819	0.78	0.71	1.51
Normetanephrine	ME1200932	0.76	0.78	1.47
2-Phenylglycine	ME1201673	0.76	0.77	1.47
Creatinine	ME1200845	0.76	0.77	1.46
Nepafenac	ME1201572	0.75	0.77	1.48
Pristanic acid	ME1201249	0.74	0.77	1.49
Caffeic acid	ME1200852	0.79	0.75	1.46
3-Amino-2-oxazolidone	ME1201196	0.79	0.73	1.48
Vincamine	ME1201101	0.79	0.73	1.47
Inositol	ME1200893	0.93	0.56	1.51
L-cystathionine	ME1200900	0.94	0.54	1.52
9,10-Epoxystearic acid	ME1201803	0.90	0.50	1.60
Tyr-Cys	ME1201691	0.92	0.49	1.60
2-Ethylhexyl diphenyl phosphate	ME1201751	0.94	0.49	1.57
Pro-Thr	ME1201763	0.97	0.47	1.56
Papaverine	ME1201188	0.86	0.61	1.53
Spermine	ME1200818	0.88	0.60	1.52
Pergolide	ME1201157	0.89	0.56	1.55
Euscaphic acid	ME1201404	0.84	0.57	1.59
Ajmalicine	ME1201166	0.84	0.60	1.56
Thiamine	ME1200815	0.86	0.58	1.56
Navenone B	ME1201590	0.81	0.65	1.54
N-Desmethyl tapentadol	ME1201736	0.82	0.63	1.55
3,4-Dihydroxymandelic acid	ME1200814	0.77	0.65	1.59
1-Naphthylamine	ME1201674	0.79	0.61	1.59
Acetyl-L-carnitine	ME1200821	0.80	0.59	1.61
S-adenosylmethionine	ME1200967	0.75	0.55	1.70
Desmethylclomipramine	ME1201150	0.78	0.53	1.70
Gentian violet cation	ME1201077	0.80	0.53	1.68
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	ME1201667	0.86	0.50	1.64
LPC(0:0/16:0)	ME1201448	0.86	0.47	1.66
(1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2^-oxirane]-3,18-dione	ME1201660	0.84	0.54	1.62
4-Chlorophenylbiguanide	ME1201770	0.84	0.54	1.62
L-Prolyl-L-methionine	ME1200948	0.80	0.56	1.64
Dimethylglycine	ME1200984	0.81	0.57	1.62
Praziquantel	ME1201182	0.82	0.56	1.62
(-)-Anabasine	ME1201039	1.16	0.56	1.27
Pyrrolidine	ME1200828	1.19	0.59	1.22
9-Hexadecenoic acid	ME1201307	1.08	0.65	1.27
Octanal	ME1201446	1.06	0.67	1.28
MG(16:0/0:0/0:0)	ME1201116	1.13	0.63	1.23
Zerumbone	ME1200972	1.11	0.64	1.25
Perillartine	ME1201616	1.13	0.67	1.20
3-Hydroxymugineic acid	ME1201544	1.09	0.68	1.23
LPC(18:0/0:0)	ME1200890	1.09	0.70	1.21
2-(N-Morpholino)ethanesulfonic acid	ME1201698	1.19	0.65	1.16
Methyl beta-D-galactopyranoside	ME1201538	1.17	0.66	1.17
4,5-Dihydrovomifoliol	ME1201543	1.11	0.76	1.14
MET-enkephalin	ME1201456	1.11	0.75	1.14
Hexamethylene bisacetamide	ME1201642	1.11	0.71	1.18
p-Hydroxybenzalacetone	ME1201252	1.13	0.71	1.16
Meropenem	ME1201247	0.98	0.84	1.19
N-Acetylserotonin	ME1200849	0.97	0.83	1.20
3-Dehydrosphinganine	ME1201377	0.98	0.81	1.21
Diethanolamine	ME1200992	0.96	0.82	1.22
Azaperone	ME1201168	1.05	0.82	1.14
Dihydro-3-methyl-2(3H)-furanone	ME1201218	1.03	0.82	1.15
ISOPRENE	ME1201919	1.04	0.82	1.15
Riboflavin	ME1200907	1.02	0.80	1.19
Dolasetron	ME1201455	1.01	0.82	1.17
Mycophenolic acid	ME1201403	1.02	0.81	1.17
Daidzin	ME1201296	1.02	0.69	1.29
Leucyl-leucyl-tyrosine	ME1201825	1.01	0.69	1.30
1,4,7-Triazacyclononane	ME1201911	1.01	0.73	1.25
Benzyl methyl disulfide	ME1201567	1.01	0.73	1.26
4-Hydroperoxy-2-nonenal	ME1201743	1.03	0.71	1.26
Flavin adenine dinucleotide	ME1200839	1.02	0.71	1.27
Angiotensin I/II (5-8)	ME1201225	1.01	0.71	1.28
Polygodial	ME1201656	1.01	0.72	1.27
LPC(0:0/20:4)	ME1201565	0.99	0.74	1.28
Glu-His	ME1200927	0.99	0.76	1.25
Methyl cinnamate	ME1200897	0.99	0.75	1.26
Nantenine	ME1201759	0.99	0.75	1.26
Angiotensin IV	ME1201416	0.96	0.80	1.24
Ergosterol peroxide	ME1201321	0.98	0.79	1.23
Clofibrate	ME1201342	0.97	0.79	1.24
Hydroquinone	ME1201372	0.97	0.79	1.23
N-Acetylcysteine	ME1201000	0.95	0.78	1.27
Pefloxacin	ME1201162	0.98	0.78	1.25
L-Propargylglycine	ME1201517	0.97	0.77	1.26
Lumichrome	ME1200817	0.97	0.77	1.26
Glucovanillin	ME1201238	1.01	0.76	1.22
Ureidosuccinic acid	ME1201688	1.02	0.77	1.21
Nitrofurantoin	ME1201379	1.01	0.79	1.21
Tetradecanal	ME1201297	1.00	0.77	1.23
LPE(14:0/0:0)	ME1201669	1.00	0.78	1.22
Malvidin	ME1201478	1.00	0.78	1.22
2-(3-Phenylpropyl)tetrahydrofuran	ME1201556	1.04	0.73	1.23
Thiodiglycol	ME1201626	1.05	0.72	1.23
1-O-Hexadecyl-sn-glycero-3-phosphocholine	ME1201240	1.04	0.78	1.19
Epigallocatechin	ME1201094	1.04	0.76	1.20
Isocitric acid	ME1201143	1.04	0.76	1.21
Clitidine	ME1201549	1.05	0.75	1.20
Clotrimazole	ME1201410	1.05	0.74	1.21
Rhapontigenin	ME1200961	0.92	0.77	1.32
Shikimic Acid	ME1201625	0.92	0.77	1.32
Astemizole	ME1201274	0.92	0.75	1.33
DL-Methionine	ME1201593	0.93	0.74	1.33
Hydrocodone	ME1201201	0.85	0.78	1.37
(R)-ar-Turmerone	ME1201265	0.86	0.77	1.37
15-keto-PGF1alpha	ME1200983	0.89	0.77	1.34
Glycerophospho-N-Palmitoyl Ethanolamine	ME1201183	0.87	0.79	1.34
5-Methyluridine	ME1201006	0.92	0.73	1.35
juvenile hormone III	ME1201550	0.91	0.73	1.36
Ethylmorphine	ME1201227	0.90	0.75	1.35
Pregnanediol	ME1201030	0.89	0.75	1.37
Chlorphenesin	ME1201562	0.88	0.75	1.36
Itaconic acid	ME1200921	0.89	0.75	1.36
N-oleoylglycine	ME1201097	0.87	0.72	1.41
Carbophenothion	ME1201444	0.88	0.73	1.38
Reboxetine	ME1201177	0.89	0.72	1.39
Thermospermine	ME1201558	0.90	0.72	1.38
Tyrosine methylester	ME1201007	0.93	0.80	1.27
(2S,3S)-2-amino-3-phenylbutanoic acid	ME1201074	0.92	0.80	1.28
Neocasomorphin(1-5)	ME1201905	0.92	0.80	1.27
4-Methoxybenzaldehyde	ME1200953	0.94	0.79	1.27
Oleoyl tyrosine	ME1201877	0.93	0.79	1.28
Diisooctyl phthalate	ME1201726	0.92	0.79	1.29
(1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane	ME1201948	0.91	0.81	1.28
Putrescine	ME1200836	0.91	0.80	1.29
Isonicotinamide	ME1201703	0.89	0.85	1.26
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	ME1201901	0.90	0.83	1.27
Prolyltryptophan	ME1201943	0.91	0.82	1.26
Solasodine	ME1201200	0.86	0.83	1.32
Levocarnitine propionate	ME1201060	0.85	0.83	1.31
Spermidine	ME1200825	0.85	0.83	1.32
5-Methoxyindoleacetate	ME1201026	0.88	0.82	1.30
Stearoylcarnitine	ME1201137	0.89	0.80	1.30
Isocarbamid	ME1201204	0.82	0.85	1.33
Lumazine	ME1201010	0.81	0.87	1.33
LPE(18:0/0:0)	ME1200884	0.83	0.89	1.28
Adipic acid	ME1200929	0.85	0.86	1.28
L-Deoxyalliin	ME1201175	0.85	0.86	1.28
Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester	ME1201569	0.84	0.85	1.31
Anethole	ME1201235	0.83	0.87	1.30
Enalaprilat	ME1201125	0.83	0.87	1.30

Factors:

F1	Sample source:H9C2 cells \| Genotype:HADHB-K292E
F2	Sample source:H9C2 cells \| Genotype:HADHB-K292R
F3	Sample source:H9C2 cells \| Genotype:Wild-type

Data matrix