Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002760)

(Analysis AN004483)

Metabolite	Structure	F1	F2	F3	F4	F5
Sodium [dodecanoyl(methyl)amino]acetate	ME712147	0.33	0.73	0.54	0.03	5.46
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane	ME712388	0.90	0.81	0.60	0.04	3.69
SSR161421	ME712227	0.52	0.71	0.74	0.03	4.54
PEG n6	ME712165	3.41	0.04	0.03	0.01	0.78
PEG n8	ME712068	3.41	0.03	0.02	0.01	0.84
NP-013176	ME712098	3.25	0.09	0.11	0.01	0.88
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-2-piperazinecarboxamide	ME712193	3.33	0.06	0.05	0.02	0.87
PEG n5	ME712234	3.32	0.07	0.09	0.03	0.80
PEG n7	ME712092	3.33	0.07	0.07	0.01	0.82
clomazone	ME712036	2.90	0.49	0.03	0.01	0.94
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide	ME712176	2.98	0.23	0.22	0.23	0.70
Alitame anhydrous	ME712377	2.53	0.25	0.78	0.04	0.59
Sulcatol	ME712183	2.44	0.35	0.29	0.23	1.57
Ketamine	ME711937	2.46	0.85	0.05	0.00	1.09
Norketamine	ME712219	2.45	0.67	0.31	0.01	0.91
Tris(hydroxymethyl)aminomethane	ME711926	0.38	0.31	2.00	2.17	0.62
Sorbic acid	ME712416	0.59	0.70	1.72	1.29	0.68
DL-Alanine	ME711949	0.72	0.74	1.47	1.52	0.64
MHPG	ME712380	0.70	0.84	1.48	1.48	0.49
Indirubin	ME712216	0.12	0.70	2.78	0.03	0.46
PS(16:0/16:1(9Z))	ME712287	0.21	0.65	2.74	0.12	0.40
3-(3,5-Dimethoxyphenyl)propanoic acid	ME712288	0.34	0.29	2.77	0.47	0.52
CY9070000	ME712387	0.43	0.35	2.58	0.36	0.72
1-(4-Benzyl-1-piperazinyl)-2-[(3R,4S)-3-{[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl}-4-piperidinyl]ethanone	ME712338	0.50	0.50	2.51	0.20	0.54
Cromakalim	ME712394	0.48	0.50	2.58	0.12	0.47
Butylparaben	ME712178	0.59	0.26	2.62	0.17	0.64
2-hydroxysebacic acid	ME712158	0.52	0.27	2.67	0.09	0.73
lentiginosine	ME712121	0.51	0.35	2.63	0.03	0.74
thr-pro	ME712115	0.50	0.44	2.60	0.01	0.64
tioxidazole	ME712430	0.38	0.43	2.65	0.06	0.80
Cyclohexanecarboxylic acid	ME712017	0.43	0.49	2.55	0.09	0.75
porfiromycin	ME712434	0.45	0.49	2.57	0.05	0.69
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME712111	0.42	0.49	2.59	0.01	0.75
NP-016455	ME712302	0.45	0.42	2.61	0.04	0.76
apronalide	ME712421	0.31	0.44	2.76	0.09	0.65
metharbital	ME712164	0.34	0.43	2.72	0.05	0.73
Eslicarbazepine acetate	ME712433	0.31	0.48	2.78	0.05	0.53
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME712320	0.36	0.54	2.64	0.07	0.57
4-(Hydroxymethyl)-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2^-oxirane]-1,6-diol	ME712349	0.39	0.50	2.67	0.06	0.56
4^-Phosphopantetheine	ME712323	0.49	0.30	2.80	0.03	0.51
MFCD00041932	ME712189	0.32	0.33	2.83	0.23	0.57
Papaverine	ME712236	0.25	0.34	2.88	0.21	0.61
INOCOTERONE ACETATE	ME712428	0.34	0.32	2.86	0.26	0.44
ML-236C	ME712366	0.32	0.34	2.90	0.17	0.45
1-(4-Hydroxyphenyl)-1-decene-3,5-dione	ME712295	0.24	0.28	2.97	0.06	0.71
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one	ME712134	0.31	0.26	2.91	0.05	0.74
Andrographolide	ME712408	0.37	0.32	2.88	0.08	0.50
3,14-dihydro-15-keto-tetranor Prostaglandin E2	ME712422	0.32	0.25	2.94	0.11	0.63
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid	ME712344	0.33	0.29	2.91	0.10	0.58
2-Isobutyl-3-methylpyrazine	ME712336	0.30	0.32	2.91	0.08	0.60
Cervonoyl ethanolamide	ME712048	0.04	0.62	2.79	0.01	0.85
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-hexenoic acid	ME712406	0.10	0.46	2.95	0.03	0.72
2,2^-Iminodipropan-1-ol	ME711862	0.28	0.44	2.73	0.00	0.88
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME712026	0.22	0.45	2.81	0.01	0.80
3-[2-(3-Hydroxyphenyl)ethyl]-2,5-dimethoxyphenol	ME712345	0.25	0.39	2.84	0.03	0.77
L-coprine	ME712312	0.20	0.39	2.87	0.04	0.79
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid	ME712118	0.26	0.18	2.95	0.04	0.99
nylon cyclic dimer	ME712082	0.03	0.05	3.15	0.20	1.24
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose	ME711997	0.33	0.31	3.04	0.01	0.28
Iprofenin	ME712039	0.11	0.10	3.35	0.06	0.53
Tris(2-chloroethyl) phosphate	ME712097	0.12	0.09	3.36	0.02	0.56
Perazine	ME712060	0.05	0.06	3.37	0.12	0.68
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME712075	0.03	0.04	3.44	0.02	0.70
IPH	ME711885	0.02	0.03	3.51	0.00	0.60
Diaminopimelic acid	ME712114	0.08	0.30	3.14	0.01	0.69
Tetraacetylethylenediamine	ME712022	0.18	0.19	3.14	0.01	0.71
Zipeprol	ME712299	0.16	0.19	3.17	0.02	0.68
Bolandione	ME712392	0.16	0.14	3.18	0.07	0.74
NP-013663	ME712138	0.21	0.14	3.15	0.02	0.75
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide	ME712362	0.12	0.11	3.27	0.05	0.69
NP-003399	ME712094	0.09	0.15	3.26	0.01	0.76
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid	ME712153	0.32	0.12	3.06	0.04	0.71
16alpha,19-Dihydroxy-4-androstene-3,17-dione	ME712373	0.21	0.18	3.12	0.14	0.56
flucindole	ME712206	0.18	0.33	3.03	0.04	0.62
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	ME712239	0.23	0.26	3.06	0.04	0.58
(2E,4E)-1-[(2R,6S,14S,22S,25R)-25-(3,3-dimethyloxiran-2-yl)-15-methyl-1,3,13,15-tetraazaheptacyclo[18.4.1.0Â?,â¶.0â¶,Â?Â?.0â·,ÂaÂ?.0Âaâ´,Â?Â?.0Âaâ¶,Â?Âa]pentacosa-7,9,11,16(21),17,19-hexaen-3-yl]hexa-2,4-dien-1-one	ME712262	0.12	1.33	1.98	0.08	0.85
HIAA	ME711839	0.33	1.40	1.79	0.00	0.67
L-Isoleucine	ME711813	0.37	1.31	1.85	0.00	0.68
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid	ME712273	0.67	0.85	1.88	0.46	0.58
3,4-Methylenesebacic acid	ME712335	0.67	0.70	1.95	0.68	0.53
mephenesin	ME712266	0.59	0.59	2.03	0.87	0.59
(2E,4E,7E)-2,4,7-Decatrienoic acid	ME712374	0.55	0.54	2.15	0.81	0.58
Hydroxytyrosol	ME712181	0.51	0.56	2.15	0.85	0.60
(2Z,4Z,6Z)-2,4,6-Nonatrienal	ME712318	0.65	0.58	2.17	0.62	0.37
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid	ME712222	0.55	0.52	2.28	0.53	0.58
LV1850000	ME712365	0.55	0.51	2.28	0.56	0.59
N-Acetylhistamine	ME711986	0.71	0.36	2.45	0.02	0.69
NP-017061	ME712357	0.66	0.45	2.42	0.05	0.63
4-hydroperoxy 2-Nonenal	ME711950	0.71	0.31	2.43	0.14	0.74
4-Vinylcyclohexene	ME712081	0.66	0.31	2.52	0.13	0.65
ophthalmic acid	ME711870	0.72	0.43	2.33	0.00	0.81
6-Methylnicotinamide	ME711860	0.76	0.25	2.47	0.01	0.78
8-Hydroxy-2-quinolinyl beta-D-glucopyranosiduronic acid	ME712382	0.89	0.28	2.32	0.02	0.76
Nitrendipine	ME712293	0.59	0.88	2.14	0.04	0.45
Docosahexaenoic acid ethyl ester	ME712321	0.28	0.82	2.43	0.10	0.57
(+)-N-Methylconiine	ME712030	0.45	0.78	2.39	0.04	0.39
Selexipag	ME712271	0.49	0.69	2.43	0.02	0.44
spermidine	ME712340	0.67	0.74	2.10	0.02	0.72
Val-pro	ME712326	0.70	0.77	2.02	0.04	0.74
Crotanecine	ME712195	0.70	0.62	2.15	0.07	0.75
Cyclo(phenylalanyl-prolyl)	ME712104	0.58	0.71	2.18	0.02	0.80
Arg-Arg	ME712352	0.63	0.63	2.16	0.03	0.91
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	ME712351	0.66	0.63	2.17	0.03	0.83
N-Acetylnorvaline	ME711999	0.65	0.68	2.13	0.02	0.82
N-(3,4-Dihydroxyphenyl)glutamine	ME711881	0.49	0.77	2.18	0.00	0.92
ISOXYL	ME711825	0.47	0.76	2.25	0.00	0.80
L-gamma-Glutamyl-L-leucine	ME711982	0.49	0.83	2.18	0.01	0.75
Trimethylenetetraurea	ME712004	0.59	0.87	2.05	0.01	0.73
4-Hydroxyprolylproline	ME711905	0.57	0.96	1.98	0.00	0.74
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid	ME712410	0.56	0.96	1.94	0.02	0.82
Boc-Asn-Oh	ME711877	0.50	0.94	2.00	0.01	0.90
Leu-Gly-Pro	ME712308	0.55	0.79	2.05	0.05	0.96
8-Amino-7-oxononanoic acid	ME712145	0.58	0.85	2.01	0.04	0.87
Leucylasparagine	ME711974	0.53	0.85	2.07	0.00	0.86
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]indole-9-carbaldehyde	ME712043	0.57	0.79	2.10	0.01	0.84
S-Methyl [(1-methoxy-1H-indol-3-yl)methyl]carbamothioate	ME712071	0.56	0.80	2.10	0.00	0.84
5-Hydroxyindole-3-acetic acid	ME712256	0.82	0.82	1.91	0.01	0.63
Bethanidine	ME712304	0.72	0.93	1.89	0.01	0.63
(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid	ME712330	0.65	0.89	1.91	0.16	0.71
Propylparaben	ME712274	0.52	0.88	2.04	0.19	0.69
(3E)-2,5-Dioxo-3-hexenal	ME712080	0.36	0.74	2.26	0.30	0.78
4-Hydroxy-5-methylfuran-3(2H)-one	ME712074	0.37	0.78	2.20	0.22	0.89
Glutaric acid	ME712053	0.41	0.86	2.13	0.21	0.80
C8-HSL	ME712334	0.60	0.66	2.16	0.20	0.77
PYRIDOXAMINE	ME712244	0.54	0.72	2.08	0.27	0.86
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octahydronaphtho[1,2-c]furan-9(1H)-one	ME712311	0.56	0.56	2.23	0.36	0.75
3-Isopropenylpentanedioic acid	ME712407	0.58	0.63	2.24	0.25	0.64
3-Amino-2-naphthoic acid	ME712385	0.44	0.59	2.52	0.06	0.57
2-Pentyl-1,3-thiazolidine	ME712265	0.46	0.60	2.47	0.02	0.66
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	ME711953	0.39	0.64	2.47	0.00	0.73
8-Hydroxy-5,6-octadienoic acid	ME712085	0.48	0.54	2.42	0.12	0.78
Suberic acid	ME712009	0.47	0.53	2.45	0.08	0.76
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one	ME711990	0.37	0.68	2.41	0.01	0.81
MFCD01318772	ME712180	0.44	0.67	2.35	0.10	0.76
N-Methylhexanamide	ME712328	0.44	0.62	2.38	0.08	0.81
1-Deoxynojirimycin	ME712150	0.57	0.63	2.28	0.12	0.69
4-Guanidinobutyric acid	ME711889	0.57	0.63	2.31	0.00	0.74
7-Mercaptoheptanoylthreonine	ME712397	0.49	0.68	2.33	0.03	0.69
N(alpha)-gamma-L-glutamylhistamine	ME711909	0.48	0.59	2.37	0.00	0.91
Histamine	ME711995	0.50	0.61	2.34	0.02	0.87
N~2~-Acetyl-L-ornithine	ME712012	0.52	0.60	2.33	0.04	0.82
Dicyclomine	ME712371	0.61	0.58	2.26	0.06	0.83
Cyclohexylamine	ME711861	0.55	0.61	2.26	0.00	0.96
2-Hydroxyhippuric acid	ME712088	0.57	0.65	2.23	0.02	0.86
NP-011220	ME712201	0.54	0.65	2.26	0.01	0.88
Hopantenic acid	ME712044	0.33	0.61	2.49	0.01	0.93
L-Kynurenine	ME711853	0.35	0.75	2.34	0.00	0.89
1,2-Benzoquinone	ME712174	0.29	0.82	2.36	0.04	0.79
DL-Cerulenin	ME712423	0.24	0.76	2.45	0.07	0.78
Carboprost Methyl	ME711956	0.09	0.92	2.37	0.03	1.02
Bialaphos	ME712144	0.23	0.74	2.23	0.01	1.48
1-(beta-D-ribofuranosyl)thymine	ME711867	0.55	0.61	2.17	0.00	1.18
APM	ME712040	0.57	0.64	2.05	0.12	1.22
2-(Diethylamino)ethanol	ME711916	0.50	0.67	1.53	0.00	2.74
N,N-Diethylethanolamine	ME711890	0.48	0.83	1.23	0.00	3.15
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	ME712224	0.47	1.32	1.00	0.03	2.49
(2S)-4-Acetamido-2-aminobutanoic acid	ME711947	0.47	1.35	1.09	0.05	2.19
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol	ME711894	0.79	0.86	0.91	0.26	2.87
Octodrine	ME712105	0.97	0.71	1.04	0.19	2.52
Harmalane	ME712072	0.75	0.95	0.99	0.01	2.77
2-Naphthol	ME711967	0.80	0.94	1.05	0.00	2.51
XT2570000	ME712062	0.77	0.96	1.03	0.04	2.57
MO4650000	ME712087	1.30	0.61	0.91	0.25	2.20
Indole-3-acetic acid	ME711910	0.88	1.04	1.05	0.00	2.08
Tetramethylurea	ME712240	0.92	1.05	0.95	0.04	2.16
LNK	ME711875	0.66	1.27	1.31	0.00	1.41
3,4-Methylenedioxyamphetamine	ME712123	0.72	1.13	1.18	0.34	1.58
3-(3-methylthio)propylmalic acid	ME712396	0.88	1.05	1.12	0.28	1.60
7-Octene-3,5-diyn-1-ol	ME712008	0.97	1.07	0.99	0.28	1.64
1,3,7-Octanetriol	ME711837	0.97	1.06	1.12	0.02	1.61
2-Hydroxy-N-(2-hydroxyethyl)propionamide	ME712255	0.90	1.21	0.98	0.03	1.75
homomethionine	ME712296	0.76	1.16	1.14	0.04	1.82
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate	ME711915	0.87	1.76	0.56	0.49	1.04
S-Benzyl-D-cysteine	ME712363	1.26	1.68	0.43	0.05	1.02
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid	ME712325	1.43	1.73	0.31	0.02	0.81
Dicyclohexylamine	ME712170	1.37	1.65	0.41	0.05	0.88
Succinylacetone	ME712058	1.16	1.66	0.72	0.08	0.58
Taurocholic acid	ME712386	1.18	1.52	0.63	0.03	1.17
leu-cys	ME712292	1.03	1.83	0.55	0.08	0.88
ala-met	ME712055	1.10	1.65	0.73	0.00	0.77
IN00458	ME712237	1.04	1.60	0.82	0.02	0.83
met-tyr	ME712289	0.97	1.59	0.86	0.02	0.91
trans-3-Hexenoic acid	ME711865	1.04	1.57	0.72	0.16	1.02
3-Methoxy-4-hydroxyphenylglycol glucuronide	ME711960	0.96	1.74	0.68	0.00	1.03
Codonopsine	ME712405	1.11	1.66	0.62	0.02	1.00
Troxipide	ME712149	1.07	1.63	0.70	0.00	1.01
cipamfylline	ME712269	0.39	1.75	1.37	0.02	0.70
Levetiracetam	ME712379	0.45	1.55	1.45	0.05	0.84
Piracetam	ME712400	0.45	1.68	1.29	0.09	0.86
3-Hydroxyanthranilic acid	ME711920	0.37	2.03	0.95	0.02	1.12
Benzoxazolone	ME711848	0.41	2.00	0.97	0.00	1.03
QS4476500	ME711845	0.41	2.01	0.96	0.00	1.04
UV9702000	ME712175	0.44	1.68	1.21	0.05	1.12
Nitrosoguvacoline	ME712419	0.47	1.79	1.05	0.04	1.19
pentobarbital	ME712063	0.49	1.82	1.02	0.04	1.16
L-Cysteinylglycine disulfide	ME711979	0.71	1.71	0.85	0.01	1.31
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one	ME712143	0.59	1.82	0.97	0.01	1.01
Lotaustralin	ME712024	0.72	1.72	0.98	0.00	0.94
ureidohomoserine	ME712177	0.69	1.81	0.94	0.01	0.89
N-Acetylserotonin	ME712258	0.76	1.73	0.90	0.01	1.03
R-Soterenol	ME712369	0.69	1.82	0.87	0.02	1.02
Methylone	ME711985	0.54	2.05	0.95	0.01	0.64
N-Succinyl-L-diaminopimelic acid	ME711882	0.39	2.07	1.03	0.00	0.76
8-Azabicyclo[3.2.1]octane-1,2,7-triol	ME712232	0.49	1.97	0.85	0.28	0.97
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-2,5-piperazinedione	ME712425	0.73	2.02	0.59	0.11	1.03
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid	ME712122	0.50	2.16	0.77	0.02	0.92
S-Allyl-L-cysteine	ME711829	0.54	2.20	0.72	0.00	0.86
(4E,6E)-4,6-Tetradecadiene-8,10,12-triyn-1-yl acetate	ME712243	0.09	3.14	0.11	0.05	1.11
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid	ME712014	0.91	2.21	0.23	0.01	1.11
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone	ME712089	0.09	2.34	0.84	0.03	1.28
Dihydroxycarbazepine	ME712223	0.34	2.30	0.63	0.02	1.30
Phloretin	ME711940	0.55	2.48	0.41	0.00	0.91
Butyl isothiocyanate	ME712251	0.48	2.38	0.52	0.07	0.99
Cys-pro	ME711833	0.45	2.45	0.48	0.00	1.05
2-Methyl-3-thioacetoxy-4,5-dihydrofuran	ME711841	0.42	2.45	0.55	0.00	0.95
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid	ME711971	0.41	2.48	0.53	0.00	0.95
2-Furoic acid	ME712226	0.38	2.78	0.24	0.14	0.85
5-Acetyl-2,4-dimethylthiazole	ME712393	0.30	2.66	0.33	0.05	1.22
6-APA	ME712264	0.43	2.64	0.30	0.01	1.06
Cyclopamine	ME711874	1.85	1.43	0.18	0.00	0.84
Thiorphan	ME711957	1.73	1.68	0.01	0.00	0.94
NP-021797	ME712119	1.90	1.04	0.57	0.01	0.72
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien-3-imine	ME711958	1.99	0.83	0.70	0.01	0.67
met-pro	ME712285	1.96	0.87	0.62	0.03	0.87
Phenytoin	ME712102	1.70	1.29	0.57	0.02	0.58
Hippuric acid	ME711826	1.61	1.29	0.49	0.00	1.02
trilobolide	ME712001	1.66	1.14	0.65	0.00	0.88
(2Z)-2-Nonenoic acid	ME712041	1.39	0.50	1.39	0.74	0.55
Elaeokanine C	ME712023	1.49	0.50	1.29	0.59	0.69
11-Aminoundecanoic acid	ME712376	1.73	0.42	1.37	0.05	0.63
N-Tridecanoylglycine	ME712047	1.78	0.45	1.31	0.03	0.63
N-Undecanoylglycine	ME711843	1.67	0.67	1.18	0.04	0.64
Luciduline	ME712313	1.69	0.65	1.22	0.03	0.57
Rimantadine	ME712275	1.70	0.64	1.23	0.03	0.55
D-Panthenol	ME712314	1.62	0.56	1.33	0.09	0.61
N-lauroylglycine	ME712213	1.58	0.59	1.33	0.07	0.70
2-Phenylindole	ME711929	1.66	0.85	1.13	0.14	0.25
Pramiracetam	ME712329	1.69	0.90	1.01	0.03	0.48
4-[(3-Acetamidopropyl)amino]butanoic acid	ME711923	1.68	0.80	1.15	0.01	0.43
Hexylbenzene	ME712209	1.60	0.86	1.13	0.04	0.51
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid	ME712409	1.99	0.24	1.32	0.06	0.56
6-hydroxy-4a-(hydroxymethyl)-5-methyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one	ME712342	1.57	0.37	1.52	0.20	0.66
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol	ME712350	1.54	0.25	1.71	0.05	0.69
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl)-2-cyclopenten-1-one	ME712413	1.70	0.14	1.64	0.10	0.70
L-Glutathione oxidized	ME711838	1.78	0.23	1.51	0.01	0.70
10-HDA	ME712431	1.01	1.08	1.04	1.15	0.52
1,2-Cyclohexadione	ME712117	0.99	1.27	0.88	0.86	0.79
epsilon-Caprolactone	ME712246	1.05	1.31	0.61	0.87	1.19
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one	ME712267	1.04	1.01	0.96	0.75	1.22
epi-jasmonic acid	ME712109	1.06	0.91	1.00	0.83	1.23
Carvone	ME712100	0.97	1.10	1.12	0.44	1.11
Ethyl caproate	ME712354	0.97	0.97	1.10	0.50	1.38
Hexanal	ME712272	0.96	0.98	1.09	0.47	1.44
Fenfuram	ME712412	0.72	1.36	1.46	0.17	0.48
Basic Violet 1	ME712322	0.78	1.51	1.23	0.12	0.59
NP-001346	ME711884	0.90	1.45	1.23	0.00	0.54
Cysteinylglycine	ME712166	0.77	1.76	1.02	0.01	0.60
N-Acetyl-L-cysteine	ME711927	0.88	1.69	1.09	0.01	0.36
TKK	ME711895	1.13	1.37	1.08	0.24	0.32
1-Hexadecanoylpyrrolidine	ME712188	1.01	1.46	1.22	0.04	0.23
5-Heptyl-2-oxotetrahydro-3-furancarboxylic acid	ME712127	1.07	1.37	1.22	0.03	0.31
1,1,6-Trimethyl-1,2-dihydronaphthalene	ME712139	1.12	1.48	1.06	0.03	0.31
3,4-dehydrothiomorpholine-3-carboxylic acid	ME711911	1.05	1.49	1.07	0.01	0.47
3-Thiomorpholinecarboxylic acid	ME711871	0.98	1.56	1.09	0.00	0.43
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	ME712372	1.13	0.91	1.69	0.04	0.13
2-Acetamidooctanoic acid	ME712182	1.35	1.02	1.28	0.01	0.35
Panthenyl ethyl ether	ME711907	1.13	1.19	1.33	0.00	0.38
Triethylene glycol monobutyl ether	ME711998	1.10	1.24	1.31	0.04	0.33
Crotamiton	ME712171	1.06	1.14	1.46	0.06	0.30
Ethyl N-ethylanthranilate	ME712298	1.10	1.21	1.36	0.06	0.25
Proline	ME712140	1.11	1.16	1.38	0.05	0.29
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME711968	1.20	1.18	1.34	0.01	0.18
Vanillin	ME712242	1.29	1.19	1.22	0.10	0.18
Pro-Hyp	ME712291	0.51	1.43	1.49	0.01	0.92
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid	ME711921	0.54	1.35	1.59	0.00	0.81
UNII:R3KSN48ZFJ	ME712007	0.57	1.30	1.60	0.00	0.84
6-(1H-Pyrrol-1-yl)norleucine	ME712319	0.61	1.36	1.49	0.01	0.85
pro-met	ME711854	0.55	1.37	1.54	0.00	0.86
Nadolol	ME712077	0.69	1.30	1.53	0.02	0.66
Butabarbital	ME712411	0.67	1.19	1.60	0.07	0.75
trihomomethionine	ME712210	0.70	1.21	1.56	0.01	0.81
fructoselysine 6-phosphate	ME712301	0.81	1.00	1.57	0.01	1.06
L-Hydroxyproline	ME711932	0.77	0.95	1.65	0.05	1.03
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name)	ME712155	0.68	1.04	1.64	0.02	1.08
Timonacic	ME711939	0.70	1.08	1.57	0.01	1.11
(5S)-5-(D-Galactopyranosyloxy)-L-lysine	ME711941	0.73	1.08	1.58	0.00	1.02
N,N-dimethylarginine	ME711893	0.78	1.09	1.55	0.00	0.95
5-Oxonorleucine	ME711992	0.79	1.08	1.51	0.14	0.90
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phosphate	ME712233	0.87	1.08	1.49	0.01	0.90
asp-leu	ME711959	0.85	1.07	1.53	0.01	0.88
Tyramine	ME712361	0.82	1.11	1.53	0.04	0.83
(1S)-1-Carboxy-N,N,N-trimethyl-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)ethanaminium	ME712263	0.86	1.07	1.54	0.01	0.80
N-Acetylvaline	ME712131	0.87	1.08	1.53	0.02	0.77
Golotimod	ME712191	0.81	1.05	1.59	0.00	0.87
N-(Carboxymethyl)norleucine	ME711962	0.79	1.03	1.63	0.01	0.87
Val-Ser	ME712032	0.86	0.98	1.58	0.07	0.88
glu-leu	ME712013	0.89	0.99	1.59	0.00	0.84
Methyl alpha-aspartylphenylalaninate	ME711966	0.86	1.01	1.57	0.00	0.91
Pholcodine	ME711955	0.76	1.24	1.41	0.01	0.94
LLK	ME712395	0.72	1.22	1.48	0.03	0.91
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	ME711850	0.75	1.19	1.49	0.00	0.89
N-(3-acetamidopropyl)pyrrolidin-2-one	ME712204	0.76	1.21	1.47	0.02	0.88
Clavamycin E	ME711942	0.84	1.20	1.40	0.00	0.89
Urocanic acid	ME711969	0.89	1.21	1.33	0.02	0.92
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-imino-1,4-dihydro-2-pyrimidinol	ME711812	0.85	1.23	1.36	0.00	0.89
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	ME711852	0.86	1.26	1.33	0.00	0.89
3-Mercaptohexanol	ME712152	0.86	1.23	1.41	0.01	0.76
(+)-Riboflavin	ME712348	0.79	1.27	1.41	0.01	0.83
L-gamma-Glutamyl-L-methionine	ME712116	0.82	1.23	1.35	0.01	0.99
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione	ME712358	0.89	1.18	1.32	0.01	1.03
1-Methylhistidine	ME711878	0.86	1.21	1.29	0.02	1.07
3-Hydroxy-2-oxobutanoic acid	ME711897	0.85	1.22	1.31	0.02	1.03
NS1800000	ME712185	0.78	1.33	1.28	0.05	0.99
a-Aspartylphenylalanine	ME712220	0.75	1.37	1.32	0.03	0.89
Guanosine	ME711849	0.80	1.30	1.33	0.00	0.91
(5R)-2-(3,4-Dihydroxyphenyl)-N-{3-[(3-{(Z)-[(2,3-dihydroxyphenyl)(hydroxy)methylene]amino}propyl)amino]propyl}-5-methyl-4,5-dihydro-1,3-oxazole-4-carboximidic acid	ME712279	0.67	1.38	1.34	0.01	1.01
Methionyl-4-hydroxyproline	ME712112	0.68	1.30	1.38	0.01	1.11
N-(2-Amino-3-methylbutanoyl)glutamine	ME711964	0.76	1.18	1.45	0.00	1.01
3-[3,4-Dihydroxy-2-(hydroxymethyl)-1-pyrrolidinyl]propanamide	ME711948	0.79	1.11	1.48	0.01	1.04
6-Oxo-pipecolinic acid	ME711952	0.74	1.15	1.47	0.06	1.05
Uracil	ME711842	0.79	1.18	1.39	0.00	1.09
(4R)-5-Hydroxy-L-leucine	ME711844	0.72	1.19	1.46	0.00	1.09
n-Ribosylhistidine	ME711912	0.70	1.18	1.46	0.02	1.14
Desthiobiotin	ME712424	0.63	1.28	1.49	0.03	0.97
Adenine	ME711840	0.58	1.27	1.52	0.00	1.07
9-(beta-D-Arabinofuranosyl)-2-imino-3,7,8,9-tetrahydro-2H-purin-6-ol	ME711804	0.58	1.26	1.53	0.00	1.06
Adenosine	ME711803	0.58	1.26	1.53	0.00	1.06
Alovudine	ME711994	0.63	1.22	1.54	0.00	1.03
Methotrexate	ME712294	0.65	1.17	1.54	0.01	1.08
?-L-Glutamyl-L-glutamic acid	ME712076	0.98	1.09	1.22	0.01	1.28
L-(-)-Threonine	ME711868	0.97	1.10	1.26	0.01	1.14
Succinic anhydride	ME711936	1.00	1.13	1.20	0.02	1.16
L-(+)-Arginine	ME711928	1.02	1.07	1.27	0.03	1.07
D-Glucose 6-phosphate	ME712253	0.94	1.14	1.28	0.02	1.08
L-Histidine	ME711891	0.95	1.06	1.34	0.01	1.09
Valylvaline	ME712305	0.82	1.32	1.23	0.02	1.05
Diethanolamine	ME711832	0.82	1.33	1.20	0.01	1.10
DL-Lysine	ME711828	0.82	1.33	1.20	0.01	1.14
Creatine	ME711879	0.88	1.30	1.13	0.01	1.22
Pyridoxamine 5^-phospate	ME712146	0.90	1.20	1.20	0.04	1.21
3-Methylhistidine	ME711930	0.89	1.25	1.19	0.00	1.18
Pipecolic acid	ME711830	0.87	1.28	1.20	0.00	1.12
Taurine	ME711918	0.94	1.20	1.10	0.16	1.22
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)hexanoic acid (non-preferred name)	ME712050	1.04	1.22	1.06	0.00	1.18
gamma-Aminobutyric acid	ME711900	0.99	1.27	1.05	0.10	1.11
S-Adenosylhomocysteine	ME711821	1.12	1.13	1.27	0.00	0.71
3-oxo-C12-HSL	ME712324	1.08	1.22	1.22	0.05	0.65
D-(+)-Pyroglutamic Acid	ME711855	1.10	1.25	1.19	0.02	0.63
asn-leu	ME712200	0.94	1.24	1.33	0.02	0.72
(R)-3-Hydroxy myristic acid	ME712353	1.00	1.05	1.41	0.10	0.74
1-Isopropenyl-3-isopropylbenzene	ME712184	0.97	1.14	1.40	0.02	0.69
Cytidine	ME711846	0.97	1.10	1.42	0.00	0.79
(2E,6Z)-Nona-2,6-dienal	ME712202	0.95	1.08	1.34	0.17	0.92
Dimetridazole	ME712231	0.87	1.07	1.42	0.19	0.90
fosfocreatinine	ME712020	0.89	1.00	1.49	0.06	0.99
His-pro	ME712064	0.97	0.99	1.42	0.11	0.94
8-(Methylsulfinyl)octyl isothiocyanate	ME712218	0.91	1.13	1.38	0.01	0.94
Thymine	ME712093	0.92	1.15	1.36	0.01	0.91
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione	ME711931	0.95	1.14	1.36	0.00	0.89
Thymidine	ME712309	0.93	1.12	1.38	0.01	0.90
5-Methylcytosine	ME711972	0.91	1.08	1.45	0.03	0.89
3-[(1S)-4-Oxo-2-cyclohexen-1-yl]-L-alanine	ME712190	0.92	1.09	1.41	0.01	0.92
D-PANTOTHENIC ACID	ME711823	0.92	1.09	1.42	0.00	0.91
2^-Deoxyinosine	ME712381	1.07	1.12	1.24	0.01	0.91
Dihydrothymine	ME711880	1.01	1.11	1.28	0.01	0.98
DL-Tryptophan	ME711816	1.04	1.10	1.29	0.00	0.91
Hypoxanthine	ME711809	1.02	1.10	1.30	0.00	0.93
asn-phe	ME712297	0.96	1.17	1.32	0.01	0.87
Inosine	ME711811	0.99	1.17	1.30	0.00	0.84
L-(+)-Cysteine	ME712221	0.99	1.12	1.33	0.01	0.90
6-Methylquinoline	ME712052	1.03	1.09	1.33	0.00	0.88
meprobamate	ME712073	1.01	1.11	1.34	0.01	0.84
Homo-L-arginine	ME711933	1.12	1.05	1.28	0.03	0.87
L-Tyrosine	ME711824	1.13	0.97	1.37	0.00	0.83
FAD	ME712167	1.08	1.04	1.35	0.01	0.83
Succinyladenosine	ME711945	1.08	1.00	1.37	0.01	0.88
3-Methylcytosine	ME712011	1.06	1.03	1.34	0.04	0.88
5-methyldeoxycytidine	ME712070	1.04	1.04	1.37	0.01	0.88
DL-Ornithine	ME712186	1.09	1.00	1.29	0.01	1.04
Benzaldehyde	ME712137	1.00	1.03	1.37	0.01	0.98
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde	ME711808	1.04	1.01	1.37	0.00	0.96
L-Phenylalanine	ME711807	1.04	1.01	1.37	0.00	0.96
Pro-Pro	ME711991	1.23	1.06	1.14	0.02	0.92
Uric acid	ME711902	1.20	1.09	1.14	0.00	0.92
2-Amino-3-methoxybenzoic acid	ME712057	1.17	1.12	1.15	0.01	0.89
Phenylalanylproline	ME712128	1.17	1.09	1.17	0.02	0.89
ser-trp	ME712418	1.16	1.08	1.17	0.04	0.91
gamma-L-glutamyl-L-tyrosine	ME712389	1.19	1.17	1.09	0.02	0.87
NP-020014	ME712268	1.22	1.11	1.14	0.02	0.83
2-hydroxyhepta-2,4-dienedioic acid	ME712384	0.99	1.16	1.23	0.02	1.01
3-Indoleacetonitrile	ME712259	1.02	1.14	1.24	0.01	0.98
Indole-3-acetaldehyde	ME712106	1.04	1.14	1.22	0.00	0.99
3-Indoleacetamide	ME712120	1.11	1.08	1.20	0.01	1.01
CU8460000	ME712245	1.09	1.12	1.18	0.03	0.99
Formylkynurenine	ME712159	1.08	1.14	1.18	0.00	1.03
5-Hydroxy-DL-tryptophan	ME712051	1.06	1.12	1.21	0.00	1.02
LQ1825000	ME711975	1.08	1.11	1.22	0.00	0.99
2^-Deoxycytidine	ME711857	1.10	1.22	1.10	0.00	0.94
Cytosine	ME711836	1.09	1.22	1.12	0.00	0.91
gln-phe	ME712283	1.13	1.15	1.17	0.02	0.86
Ser-met	ME712333	1.11	1.18	1.16	0.02	0.84
2,3-Bis(octanoyloxy)propanimidic acid	ME712196	1.00	1.20	1.24	0.02	0.90
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME712135	1.05	1.19	1.19	0.01	0.91
cambendazole	ME712049	1.06	1.17	1.22	0.01	0.87
3,5-di-tert-Butyl-4-hydroxybenzoic acid	ME712315	0.99	1.18	1.13	0.26	0.98
Olodaterol	ME712276	1.06	1.06	1.22	0.15	0.97
Bis(4-ethylbenzylidene)sorbitol	ME712212	0.71	1.33	1.21	0.55	0.83
Decanamide	ME712215	0.97	1.29	1.19	0.26	0.61
vinylglycine	ME711883	0.90	1.31	1.13	0.33	0.82
Marimastat	ME712286	0.60	1.61	1.27	0.01	0.77
Coproporphyrin III	ME711919	0.70	1.60	1.18	0.00	0.80
L-Theanine	ME712069	0.69	1.62	1.20	0.03	0.72
leu-phe	ME712059	0.73	1.48	1.25	0.01	0.84
PENTOTHAL	ME712103	0.77	1.46	1.23	0.00	0.87
jasminine	ME712067	0.74	1.42	1.32	0.01	0.79
MFCD00025555	ME712250	0.74	1.47	1.28	0.01	0.78
L-Tyrosine methyl ester	ME712229	0.66	1.60	1.19	0.00	0.89
Adenosine 3^5^-cyclic monophosphate	ME711935	0.75	1.50	1.17	0.00	0.94
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide	ME712427	0.77	1.50	1.17	0.01	0.90
2-Quinolinecarboxylic acid	ME711906	0.71	1.58	1.15	0.00	0.92
Prenisteine	ME712029	0.75	1.55	1.13	0.00	0.91
2^,4-Dihydroxychalcone	ME712141	0.90	1.47	0.96	0.02	1.18
O-(3-Carboxypropanoyl)homoserine	ME711869	1.02	1.34	0.94	0.00	1.22
N-(tert-Butoxycarbonyl)-L-leucine	ME711835	1.10	1.40	0.95	0.00	0.89
3-(Methylthio)hexyl hexanoate	ME712261	1.11	1.33	1.00	0.00	0.88
mebutamate	ME712110	1.14	1.30	1.01	0.01	0.86
1,3,7-Trimethyluric acid	ME712270	1.02	1.34	1.02	0.01	1.06
Benzil	ME712156	0.99	1.39	1.03	0.01	0.99
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	ME712230	0.99	1.34	1.12	0.01	0.87
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne	ME711978	1.01	1.32	1.11	0.00	0.92
9-Anthroic acid	ME711847	1.01	1.32	1.10	0.00	0.92
Salicylaldehyde	ME712417	1.03	1.38	1.01	0.03	0.93
Theophylline	ME712378	1.05	1.32	1.05	0.03	0.92
Val-Leu	ME712005	1.06	1.34	1.02	0.00	0.93
Adenosine 5^-monophosphate	ME711903	1.08	1.26	1.07	0.00	0.98
Caffeine	ME711814	1.04	1.31	1.06	0.00	0.98
tricholomic acid	ME712078	1.02	1.29	1.09	0.04	0.97
L-Glutamic acid	ME711904	0.94	1.26	1.16	0.02	1.06
MFCD00070502	ME712157	0.93	1.30	1.16	0.08	0.94
ascopyrone M	ME711806	0.91	1.33	1.23	0.00	0.84
Kanosamine	ME711805	0.91	1.33	1.23	0.00	0.84
DL-Ala-DL-Phe	ME712151	0.92	1.40	1.12	0.02	0.90
ELK	ME711876	0.90	1.42	1.12	0.00	0.90
Styrene	ME712339	0.87	1.48	0.96	0.21	1.02
Bis(methylbenzylidene)sorbitol	ME711914	0.85	1.49	0.97	0.24	0.99
Acetophenone	ME712346	0.86	1.51	0.95	0.22	0.99
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	ME712277	0.85	1.52	0.94	0.24	0.97
2-Phenylethyl D-glucopyranoside	ME712198	0.85	1.52	0.95	0.23	0.97
cystine	ME711917	0.76	1.63	0.97	0.00	1.09
L-pyrrolysine	ME712281	0.83	1.60	0.91	0.05	1.10
val-asn	ME712090	0.97	1.45	1.01	0.01	0.92
Glycyl-L-leucine	ME712037	0.91	1.50	1.03	0.02	0.90
Leu-Leu	ME712161	0.87	1.50	1.07	0.00	0.91
Leu-Val	ME711963	0.85	1.59	0.98	0.00	0.94
(1Z)-N-[3-Hydroxy-2-(octanoyloxy)propyl]octanimidic acid	ME711886	0.90	1.54	0.98	0.00	0.94
L-Cystine	ME712010	0.89	1.54	0.99	0.01	0.94
Leucyltyrosine	ME712347	0.89	1.53	1.00	0.01	0.94
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine	ME712278	0.84	1.47	1.08	0.07	0.97
Triphenyl phosphate	ME712375	0.75	1.51	1.08	0.11	1.04
11-Nor-9-carboxy-thc	ME712031	1.45	1.20	0.75	0.00	0.98
Corticosterone	ME711970	1.40	1.32	0.68	0.00	1.00
S-3-oxodecanoyl cysteamine	ME711856	1.44	1.33	0.64	0.00	0.97
L-decyline	ME712429	1.30	1.49	0.68	0.04	0.78
5-Hydantoinpropionic acid	ME712021	1.30	1.46	0.69	0.02	0.86
Phthalic acid	ME711815	1.28	1.45	0.70	0.01	0.92
Cefuroxime pivoxetil	ME711977	1.28	1.28	0.83	0.00	1.03
D-lysopine	ME712420	1.17	1.39	0.85	0.06	0.92
N-Stearoyltyrosine	ME711864	1.25	1.36	0.84	0.00	0.86
Oxcarbazepine	ME712337	1.16	1.40	0.97	0.02	0.66
N-Acetyl-L-leucine	ME712260	1.24	1.10	1.09	0.15	0.77
3,4-Dimethylbenzoic acid	ME712194	1.18	1.23	1.02	0.11	0.80
Cystathionine ketimine	ME712016	1.20	1.18	1.11	0.01	0.76
Ala-Tyr	ME712086	1.33	1.14	0.95	0.00	0.94
D-(+)-Proline	ME711834	1.39	1.03	1.02	0.00	0.90
Metalaxyl	ME712317	1.35	1.08	1.00	0.03	0.90
Xanthine	ME711817	1.29	1.21	0.98	0.00	0.83
1-Methylimidazole-4-acetaldehyde	ME712033	1.21	1.20	1.02	0.05	0.90
L(-)-Pipecolinic acid	ME711831	1.24	1.19	0.99	0.02	0.91
Nicotinamide	ME711810	1.21	1.20	1.02	0.00	0.93
val-phe	ME712343	1.23	1.17	1.02	0.02	0.93
(E,E)-2,4-Dodecadienal	ME712168	1.69	0.98	0.82	0.04	0.75
ALA-PRO	ME712045	1.63	0.92	0.93	0.03	0.75
Inosine-5^-monophosphate (IMP)	ME711866	1.66	0.92	0.88	0.00	0.85
N-(Carboxyacetyl)phenylalanine	ME712249	1.60	0.94	0.91	0.01	0.88
Ketoprofen	ME712399	1.55	0.90	0.97	0.09	0.85
N-[(2S)-2-Hydroxypropanoyl]methionine	ME712331	1.54	0.86	1.04	0.02	0.87
Northienamycin	ME712391	1.49	0.97	1.03	0.03	0.76
NP-020078	ME712217	1.51	1.01	0.93	0.02	0.86
Nupharidine	ME712079	1.33	1.12	0.98	0.30	0.61
5-Methyl-2-octyl-3(2H)-furanone	ME711859	1.55	1.11	0.79	0.22	0.65
Cyprodenate	ME711858	1.54	1.12	0.79	0.23	0.65
DL-Serine	ME711863	1.01	0.90	1.43	0.01	1.14
N-Acetylvanilalanine	ME712290	1.20	0.65	1.44	0.03	1.24
D-(+)-Pipecolinic acid	ME711818	1.25	1.22	0.81	0.00	1.30
L-Aspartic acid	ME711899	1.19	1.19	0.94	0.02	1.17
L-(+)-Aspartic acid	ME711888	1.42	0.92	0.97	0.04	1.19
2-deoxy-D-gluconic acid	ME712132	1.22	1.05	1.02	0.01	1.25
Adenosine diphosphate (ADP)	ME711980	1.09	1.04	1.18	0.01	1.19
DL-Homoserine	ME712095	1.14	1.00	1.13	0.08	1.24
240I539PWQ	ME712025	1.21	0.99	1.12	0.00	1.20
DL-Glutamic acid	ME711827	1.17	1.05	1.10	0.00	1.21
5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE	ME711887	1.11	0.88	1.29	0.00	1.30
D-Serine	ME711913	1.09	0.95	1.26	0.10	1.14
Homocitrulline	ME711951	1.11	0.98	1.25	0.01	1.15
Lactamide	ME711984	1.14	0.94	1.23	0.03	1.21
DL-Glutamine	ME711908	1.13	0.89	1.14	0.22	1.39
Maleamic acid	ME712172	1.20	0.91	1.14	0.21	1.18
Cyclic ADP-ribose	ME712207	1.28	0.98	1.16	0.01	0.93
Prostaglandin F2?	ME712341	1.36	0.95	1.13	0.01	0.89
5,6-Dihydrothymidine	ME712129	1.28	1.02	1.17	0.01	0.80
L-(-)-Methionine	ME711820	1.28	0.96	1.23	0.00	0.82
2-Methylthiazolidine	ME711938	1.25	0.94	1.25	0.00	0.90
Leucylproline	ME711922	1.32	0.88	1.25	0.00	0.87
6,15-diketo-13,14-dihydro Prostaglandin F1a	ME712402	1.51	0.88	1.13	0.04	0.66
Ureidopropionic acid	ME712056	1.36	0.94	1.18	0.09	0.71
Prostaglandin A2	ME712367	1.42	0.68	1.31	0.04	0.95
Prostaglandin E2	ME711944	1.55	0.64	1.25	0.01	0.88
DL-a-Aminocaprylic acid	ME712163	1.53	0.69	1.22	0.01	0.90
Prostaglandin J2	ME712034	1.49	0.68	1.24	0.01	0.94
6-Ketoprostaglandin F1a	ME712054	1.46	0.79	1.20	0.00	0.85
Idoxifene	ME712414	1.39	0.76	1.34	0.03	0.75
N-Propionylmethionine	ME712435	1.43	0.72	1.31	0.03	0.82
2-(Diethoxymethyl)furan	ME712099	1.20	0.82	1.35	0.18	0.89
Azelaic acid	ME712061	1.25	0.79	1.36	0.14	0.86
Monobutyl phthalate	ME712162	1.16	0.89	1.34	0.09	0.95
4-Hydroxyprolylleucine	ME712160	1.25	0.83	1.34	0.01	0.92
Isoputreanine	ME712136	1.18	0.86	1.40	0.03	0.85
(-)-Lycodine	ME712235	1.35	0.72	1.31	0.20	0.85
MFCD00010610	ME712257	1.29	0.72	1.42	0.16	0.79
NP-018716	ME712211	1.32	0.73	1.43	0.13	0.69
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium	ME712205	1.12	0.90	1.18	0.74	0.77
Palmitic Acid	ME711976	1.06	0.97	1.15	0.69	0.87
10-oxo-8-decenoic acid	ME712142	1.04	0.94	1.37	0.34	0.76
Palmitoleic acid	ME712307	1.09	0.96	1.34	0.29	0.72
(2S)-2-Amino-4-hexynoic acid	ME712084	1.18	0.93	1.15	0.39	0.97
2-Decylfuran	ME712300	1.13	0.94	1.18	0.50	0.88
Capryloylglycine	ME712316	1.18	0.87	1.25	0.39	0.85
methyprylon	ME712398	1.17	0.87	1.24	0.44	0.87
PPG n5	ME712192	1.39	0.85	1.02	0.51	0.83
Lauramide	ME711996	1.42	0.91	1.03	0.26	0.84
N-Nonanoylglycine	ME712091	1.29	0.91	1.16	0.26	0.82
1-Piperideine	ME712133	0.69	1.08	1.47	0.39	1.02
cis-acetylacrylic acid	ME712197	0.72	0.97	1.56	0.52	0.89
PEG-4	ME711925	0.79	0.87	1.59	0.53	0.84
4-Oxocyclohexanecarboxylic acid	ME712241	0.79	0.82	1.43	1.04	0.85
Oleamide	ME712028	0.93	0.72	1.54	0.71	0.81
(1S,2S)-1-(4-Methoxyphenyl)-1,2-propanediol	ME712401	0.41	0.99	1.91	0.31	0.90
.alpha.-Apocholic acid	ME712364	0.41	1.14	1.88	0.03	0.90
Guvacoline	ME712247	0.63	1.04	1.79	0.07	0.79
(1R,9R)-N-(4-Fluorophenyl)-5-[(3-methoxypropanoyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide	ME712332	0.68	1.02	1.76	0.02	0.84
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzamide	ME712003	0.67	1.01	1.79	0.02	0.82
N-acetyl-LL-2,6-diaminopimelic acid	ME711954	0.65	0.96	1.80	0.01	0.99
3-Methylcrotonylglycine	ME712208	0.63	0.92	1.87	0.09	0.86
Acetylarginine	ME711896	0.67	0.91	1.86	0.00	0.90
Boc-Asn-ONp	ME712203	0.55	1.16	1.76	0.01	0.79
pentahomomethionine	ME711943	0.60	1.21	1.69	0.00	0.74
Zalcitabine	ME711898	0.67	1.08	1.67	0.00	0.94
1,3-Dipropylxanthine	ME712083	0.56	1.21	1.66	0.00	0.92
Acetylhistamine	ME711961	0.58	1.15	1.70	0.01	0.90
Methyl indole-3-acetate	ME712187	0.53	0.85	1.95	0.07	1.10
DL-Homocysteine	ME712360	0.70	0.80	1.80	0.10	1.14
3-Tropanol	ME712327	0.69	0.88	1.78	0.06	1.09
Glycylglutamic acid	ME712015	0.62	0.92	1.78	0.05	1.15
5-Ethyl-4-hydroxy-3(2H)-furanone	ME712126	0.62	1.08	1.59	0.03	1.24
ACETYL PROLINE	ME711981	0.49	1.04	1.73	0.16	1.18
fMet	ME712368	0.83	0.62	2.07	0.05	0.66
Methylhistamine	ME711983	0.85	0.47	2.15	0.22	0.62
N-Methylhistamine	ME711965	0.85	0.52	2.08	0.25	0.63
2,2,6,6-Tetramethyl-4-piperidinol	ME712027	0.88	0.59	1.82	0.30	0.98
2-Oxindole	ME712214	0.91	0.50	2.03	0.02	0.89
Flavin mononucleotide (FMN)	ME712228	0.95	0.59	1.91	0.01	0.88
3-Amino-4,7-dihydroxy-8-methylcoumarin	ME712432	1.00	0.53	1.92	0.03	0.84
Shogaol	ME712248	0.97	0.51	1.98	0.02	0.81
glu-tyr	ME712125	0.84	0.81	1.76	0.00	0.99
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME712404	0.78	0.64	2.01	0.09	0.83
20-Dihydro 6a-methylprednisone	ME712252	0.75	0.79	1.92	0.01	0.83
Pyrone	ME712238	0.83	0.75	1.90	0.02	0.79
Benzyl butyl phthalate	ME712130	0.83	0.71	1.90	0.01	0.90
Otonecine	ME712096	0.86	0.72	1.85	0.01	0.90
Veliparib	ME712359	0.82	0.72	1.86	0.11	0.87
1-Methylimidazoleacetic acid	ME712018	0.74	0.77	1.90	0.10	0.90
5-Butyloxazole	ME711924	0.77	0.75	1.90	0.03	0.90
(2Z,4E)-2,4-Hexadienedial	ME712356	0.95	0.82	1.62	0.31	0.73
cuscohygrine	ME712284	0.91	1.02	1.54	0.18	0.67
anthramycin	ME712355	1.06	0.94	1.52	0.02	0.69
Indole-3-lactic acid	ME712426	1.07	0.87	1.49	0.12	0.80
Sebacic acid	ME712169	1.13	0.80	1.50	0.10	0.81
riboflavin cyclic 4^,5^-phosphate	ME711987	1.08	0.78	1.58	0.00	0.92
Anthranilic acid	ME712035	1.02	0.81	1.58	0.03	0.95
oxiracetam	ME712006	1.04	0.80	1.54	0.06	1.00
N-{(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(1-piperidinyl)-2-propanyl]decahydro-2-naphthalenyl}methanesulfonamide	ME712199	0.94	0.90	1.57	0.09	0.88
Leu-pro	ME711934	0.97	0.90	1.57	0.00	0.89
2,4,6-Octatriyn-1-ol	ME711873	1.00	0.89	1.57	0.00	0.85
3-(3,4-dihydroxyphenyl)propanoic acid	ME711819	0.99	0.92	1.55	0.00	0.86
Isovalerylglutamic acid	ME712173	0.94	0.95	1.55	0.01	0.89
Veronal	ME712065	0.97	0.93	1.52	0.05	0.91
2-Acetyl-4-methylpyridine	ME711872	1.05	0.87	1.53	0.00	0.87
Gly-l-pro	ME711989	1.01	0.90	1.51	0.02	0.94
N4-Acetylcytidine	ME712225	0.97	0.99	1.53	0.00	0.80
Pyridoxal 5^-phosphate	ME712038	1.09	0.91	1.45	0.00	0.88
2-Aminonicotinic acid	ME711892	1.04	0.96	1.48	0.00	0.82
Gly-Phe	ME712124	1.03	0.94	1.46	0.06	0.86
4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-10-hydroxy-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione	ME712303	1.00	0.99	1.45	0.01	0.88
L-Dopa	ME712113	1.03	0.97	1.44	0.01	0.90
N-(2-Amino-4-methylpentanoyl)glutamine	ME712108	0.86	0.93	1.66	0.01	0.87
4-O-(a-D-Glucopyranosyl) moranoline	ME712415	0.93	0.89	1.65	0.03	0.80
Ne-Acetyllysine	ME712002	0.91	0.93	1.63	0.02	0.80
N-(2-Hydroxyethyl)glutamine	ME712179	0.82	0.88	1.74	0.15	0.78
Crotonic acid	ME712000	0.85	0.92	1.71	0.04	0.73
N-(2-Methylbutyl)-N^-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea	ME712101	0.87	0.87	1.76	0.00	0.74
Oxindole	ME712280	0.89	0.86	1.75	0.02	0.73
Acetanilide	ME711993	0.78	0.93	1.75	0.03	0.82
Guanine	ME711988	0.77	1.00	1.73	0.03	0.72
b-Angelica lactone	ME712066	0.94	0.76	1.65	0.19	0.93
thiouridine	ME712154	1.09	0.77	1.65	0.00	0.71
2-(1H-indol-3-yl)acetic acid	ME712390	1.03	0.66	1.80	0.02	0.75
CYCLO(-SER-TYR)	ME712107	1.04	0.67	1.77	0.02	0.78
Phenylacetylglycine	ME711851	1.06	0.74	1.67	0.00	0.82
7-Methylguanine	ME711901	1.02	0.79	1.65	0.00	0.84
N6-Me-Adenosine	ME711946	1.00	0.79	1.68	0.00	0.82
2,4-Dimethyladipic acid	ME712254	1.03	0.72	1.68	0.08	0.85
2,5-Dimethyl-4-ethoxy-3(2H)-furanone	ME712310	1.06	0.72	1.66	0.07	0.83
N-Phenylacetylglutamine	ME712403	1.07	0.72	1.64	0.02	0.89
Pro-tyr	ME712042	1.02	0.73	1.67	0.01	0.93
Creatinine	ME711822	0.93	0.74	1.78	0.00	0.87
ent-prostaglandin E2	ME712282	0.95	0.71	1.80	0.02	0.85
DL-2-(acetylamino)-3-phenylpropanoic acid	ME712370	0.95	0.78	1.72	0.03	0.86
QV1MVO1R	ME711973	0.93	0.81	1.70	0.00	0.89
Adenylsuccinic acid	ME712046	1.25	0.62	1.62	0.00	0.78
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid	ME712148	1.25	0.76	1.53	0.02	0.64
dacisteine	ME712019	1.28	0.75	1.50	0.00	0.66
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid	ME712383	1.27	0.51	1.70	0.14	0.66
Hexadecanamide	ME712306	1.12	0.47	1.87	0.13	0.72

Factors:

F1	Treatment:HS14 \| Source:OM \| CF:OM
F2	Treatment:HS21 \| Source:OM \| CF:OM
F3	Treatment:LS \| Source:OM \| CF:OM
F4	Treatment:n/a \| Source:n/a \| CF:OM
F5	Treatment:n/a \| Source:OM Pool \| CF:OM

Data matrix