Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002759)

(Analysis AN004479)

Metabolite	Structure	F1	F2	F3	F4	F5
clomazone	ME710176	3.20	0.49	0.02	0.24	0.00
Sulcatol	ME710307	2.86	0.23	0.19	1.15	0.14
3-(1-Pyrrolidinyl)-2-pentanone	ME710383	3.14	0.14	0.12	0.98	0.02
2-Acetamidooctanoic acid	ME710090	3.04	0.20	0.18	0.94	0.03
DL-a-Aminocaprylic acid	ME710331	3.08	0.13	0.22	0.91	0.01
PEG n8	ME710209	3.43	0.07	0.01	0.71	0.00
1-(4-Methyl-1-piperazinyl)-2-[(3R,4S)-3-({5-[4-(2-methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]ethanone	ME710341	3.27	0.16	0.03	0.83	0.01
NP-013176	ME710270	3.26	0.13	0.07	0.84	0.01
PEG n5	ME710371	3.35	0.07	0.06	0.79	0.02
2-[(3R,4S)-1-Benzoyl-3-ethyl-4-piperidinyl]-N-(4-fluorobenzyl)acetamide	ME710276	3.33	0.10	0.08	0.73	0.01
PEG n7	ME710228	3.31	0.15	0.05	0.72	0.00
Farnesylcysteine	ME710630	1.72	0.55	0.14	3.40	0.09
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane	ME710682	0.29	2.39	0.12	2.44	0.07
tricholomic acid	ME710042	0.06	2.25	0.34	2.89	0.00
mebutamate	ME710193	0.86	1.29	0.43	3.04	0.01
Alanyltyrosine	ME710351	0.72	1.67	0.23	2.96	0.01
n-Hexanamide	ME710644	0.44	1.74	0.48	2.70	0.16
(R)-Salsolinol	ME710102	0.62	1.71	0.40	2.65	0.00
THTA	ME710218	0.65	1.69	0.39	2.66	0.01
Caprolactam	ME710562	1.09	1.31	0.50	2.19	0.07
8-Iso-15-keto-prostaglandin-F2ß	ME710675	1.50	0.88	0.63	1.90	0.07
Dicyclohexylamine	ME710567	1.57	1.04	0.24	2.33	0.02
1-Linoleoyl glycerol	ME710576	1.37	0.97	0.44	2.26	0.29
Carbenoxolone	ME710419	1.52	0.85	0.47	2.35	0.07
Cyclohexylamine	ME710068	0.44	0.63	1.62	2.77	0.00
Sodium [dodecanoyl(methyl)amino]acetate	ME710531	0.51	0.81	1.30	2.88	0.08
DESMETHYLSELEGILINE	ME710356	0.84	0.65	0.96	3.33	0.05
Mosapride	ME710323	0.84	0.85	0.79	3.30	0.00
5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol	ME710123	0.80	0.86	0.90	3.10	0.00
Sulforaphane	ME710561	0.80	0.82	0.90	3.18	0.03
Hippuric acid	ME710040	0.94	0.81	1.08	2.42	0.00
Harmalane	ME710311	0.95	0.89	0.91	2.62	0.01
N,N-Diisopropylethylamine (DIPEA)	ME710203	0.91	0.99	0.84	2.59	0.05
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)	ME710129	0.79	0.93	1.08	2.49	0.01
UNII:N506B45LBE	ME710613	0.77	1.05	0.96	2.53	0.01
2-Furoic acid	ME710346	0.28	3.09	0.12	0.68	0.09
2,3-Methyleneglutaric acid	ME710557	0.18	2.93	0.27	0.94	0.13
Matairesinol	ME710616	0.31	2.79	0.32	0.88	0.07
VLH	ME710305	0.52	2.84	0.04	0.98	0.03
Phthalic acid	ME710028	0.87	2.41	0.12	0.94	0.05
Leucyltyrosine	ME710412	0.65	2.66	0.05	1.08	0.01
Methionylphenylalanine	ME710523	0.69	2.51	0.15	1.10	0.01
11-Nor-9-carboxy-thc	ME710464	0.77	2.16	0.06	1.95	0.06
Carteolol	ME710304	0.52	2.40	0.25	1.56	0.03
N-Methylhexanamide	ME710495	0.18	2.63	0.22	1.83	0.11
VLK	ME710501	0.33	2.45	0.30	1.77	0.02
Asp-Trp	ME710112	0.33	2.16	1.14	0.42	0.00
Ser-met	ME710507	0.83	1.49	0.74	1.80	0.02
Gly-Tyr	ME710297	0.78	1.56	0.68	1.93	0.01
MFCD00025555	ME710191	0.79	1.60	0.67	1.84	0.00
2-Acetyl-4-methylpyridine	ME710524	0.86	1.12	1.04	1.78	0.17
asn-val	ME710340	0.67	1.33	1.05	1.88	0.00
meprobamate	ME710097	0.65	1.42	0.97	1.90	0.00
ala-met	ME710232	0.91	1.39	0.81	1.71	0.00
val-asn	ME710213	0.80	1.33	1.02	1.63	0.00
Gly-Trp	ME710593	1.27	1.91	0.05	1.40	0.01
Imazapyr	ME710652	1.09	1.78	0.33	1.49	0.01
Taurocholic acid	ME710575	1.18	1.58	0.43	1.52	0.02
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,âµ]undec-6-ene-6-carboxylic acid	ME710509	1.02	1.65	0.54	1.19	0.28
pro-trp	ME710642	1.11	1.70	0.51	1.19	0.01
Indirubin	ME710244	0.92	1.91	0.54	1.05	0.02
Leu-Val	ME710099	0.85	1.95	0.47	1.34	0.00
Methionylleucine	ME710544	0.88	1.97	0.42	1.29	0.02
N1-(2-{2-[2-(acetylamino)phenoxy]ethoxy}phenyl)acetamide	ME710335	0.77	2.32	0.24	1.15	0.00
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	ME710217	0.76	2.25	0.32	1.17	0.01
Trp-Phe	ME710587	0.79	2.23	0.30	1.18	0.01
glycyclamide	ME710428	0.89	2.04	0.40	1.17	0.00
Tussilagine	ME710415	0.88	2.15	0.30	1.15	0.02
Capryloylglycine	ME710330	0.87	2.10	0.47	0.88	0.02
ile-met	ME710422	1.01	2.13	0.27	0.95	0.01
Polygonolide	ME710629	0.53	2.05	0.64	1.10	0.36
5-[5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpentanoic acid	ME710591	0.60	2.40	0.28	1.26	0.06
Marimastat	ME710559	0.48	2.45	0.40	1.18	0.01
2-Methyl-3-thioacetoxy-4,5-dihydrofuran	ME710058	0.47	2.28	0.52	1.30	0.00
Pentyl isothiocyanate	ME710621	0.44	2.30	0.49	1.21	0.22
2-[(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)(methyl)amino]-3-pyridinyl hydrogen sulfate	ME710662	0.54	2.11	0.74	1.02	0.02
4-Vinylcatechol	ME710535	0.65	2.15	0.51	1.16	0.05
S-Allyl-L-cysteine	ME710035	0.56	2.09	0.67	1.20	0.00
Cys-pro	ME710117	0.60	2.13	0.56	1.28	0.00
Leu-Gly-Pro	ME710487	0.59	2.08	0.57	1.39	0.01
3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one	ME710291	0.60	1.82	0.69	1.72	0.01
Trp-Val	ME710572	0.46	2.06	0.65	1.58	0.01
2-Quinolinecarboxylic acid	ME710107	0.40	1.84	1.10	1.15	0.00
3-Hydroxyanthranilic acid	ME710161	0.41	2.01	0.92	1.13	0.01
Benzoxazolone	ME710036	0.38	1.99	0.95	1.19	0.00
Pentahomoserine	ME710157	0.77	1.67	0.73	1.56	0.01
Falecalcitriol	ME710411	0.99	1.60	0.67	1.35	0.01
Tyrosyltyrosine	ME710426	0.82	1.65	0.81	1.29	0.00
MFCD00020424	ME710388	0.85	1.57	0.83	1.36	0.00
(betaS)-beta-Hydroxy-L-tryptophan	ME710166	0.90	1.61	0.73	1.40	0.00
DL-Ala-DL-Phe	ME710210	0.91	1.56	0.78	1.37	0.00
4-[(Z)-2-Aminovinyl]phenol	ME710467	0.73	1.90	0.57	1.46	0.03
met-pro	ME710349	0.79	1.79	0.70	1.27	0.03
Crotetamide	ME710681	0.63	1.81	0.77	1.45	0.03
2^-Amino-2,3-biphenyldiol	ME710183	0.67	1.89	0.72	1.29	0.01
N-Acetylserotonin	ME710224	0.67	1.89	0.73	1.29	0.00
Nitrosoguvacoline	ME710479	0.69	1.82	0.73	1.37	0.02
pentobarbital	ME710134	0.69	1.83	0.74	1.36	0.01
L-gamma-Glutamyl-L-leucine	ME710220	0.60	1.66	0.98	1.40	0.00
1-Oxo-1H-isochromene-3-carbaldehyde	ME710663	0.75	1.62	0.86	1.38	0.03
ser-trp	ME710500	0.69	1.67	0.91	1.33	0.01
Iprofenin	ME710511	0.72	1.69	0.90	1.20	0.03
4-Hydroxylidocaine	ME710337	0.65	1.76	0.87	1.30	0.00
L-3-nitrotyrosine	ME710634	0.68	1.80	0.82	1.25	0.02
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	ME710126	0.72	1.75	0.83	1.24	0.00
L-Tyrosine methyl ester	ME710131	0.72	1.76	0.83	1.24	0.00
N~6~-(5-Oxo-D-isoleucyl)-L-lysine	ME710288	0.83	1.69	0.82	1.15	0.00
Creatine	ME710001	0.80	1.64	0.92	1.11	0.00
Tyrosylalanine	ME710447	0.78	1.69	0.88	1.11	0.01
6-[(6-Aminohexanoyl)amino]hexanoic acid	ME710146	0.72	1.71	0.94	1.07	0.00
Cinnamaldehyde	ME710072	0.66	1.78	0.90	1.14	0.00
asn-leu	ME710204	0.92	1.55	0.94	0.95	0.00
6-(1H-Pyrrol-1-yl)norleucine	ME710387	0.84	1.58	0.96	1.05	0.01
N-[(2S)-2-Hydroxypropanoyl]methionine	ME710125	0.84	1.63	0.93	0.97	0.00
Adenosine 3^5^-cyclic monophosphate	ME710121	0.85	1.56	0.92	1.16	0.00
zindotrine	ME710273	0.94	1.49	0.93	1.11	0.00
IPK	ME710548	0.81	1.85	0.77	0.87	0.04
arg-ile	ME710140	0.67	1.83	0.96	0.84	0.00
Pirimicarb	ME710345	0.69	1.76	0.99	0.89	0.01
Palmitic Acid	ME710239	1.62	1.12	0.40	1.08	0.58
N-(Carboxyacetyl)phenylalanine	ME710463	1.83	0.84	0.63	1.25	0.01
NP-020014	ME710461	1.92	0.77	0.55	1.41	0.01
(+/-)11(12)-EET	ME710543	1.80	0.75	0.57	1.66	0.05
NP-020078	ME710573	1.67	0.93	0.59	1.47	0.04
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl pentadecanoate	ME710641	1.56	1.11	0.67	1.06	0.10
N-Acetyl-L-leucine	ME710488	1.58	0.90	0.82	1.04	0.21
kazinol A	ME710560	1.46	1.26	0.53	1.35	0.01
Alizapride	ME710299	1.26	1.27	0.71	1.40	0.00
Cefuroxime pivoxetil	ME710150	1.33	1.17	0.77	1.35	0.00
Thymine	ME710290	1.40	1.19	0.66	1.33	0.03
(+)-castanospermine	ME710656	1.47	0.86	0.90	1.39	0.03
10-HDA	ME710498	1.46	1.02	0.74	1.32	0.13
NP-011548	ME710640	1.45	0.98	0.74	1.50	0.10
2-Aminooctadec-4-yne-1,3-diol	ME710109	1.74	1.33	0.02	1.74	0.02
Thiorphan	ME710120	2.03	1.32	0.01	1.09	0.00
Cortisone	ME710283	1.57	1.37	0.33	1.32	0.00
Metalaxyl	ME710542	1.66	1.19	0.38	1.38	0.03
Anisomycin	ME710432	1.74	1.38	0.21	1.17	0.01
Indole-3-acetic acid	ME710111	1.85	1.25	0.24	1.14	0.01
S-Benzyl-D-cysteine	ME710659	1.88	1.13	0.33	1.09	0.07
Succinylacetone	ME710401	1.77	1.16	0.49	0.79	0.15
Cyclic ADP-ribose	ME710310	1.94	0.96	0.71	0.47	0.01
Purinol	ME710128	1.66	1.03	0.85	0.64	0.00
6-(Methoxymethyl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-ol	ME710627	1.46	1.85	0.15	0.81	0.02
8-Hydroxy-4-methoxy-7-methyl-7,8-dihydro-5H-furo[2,3-g]isochromen-5-one	ME710672	1.56	1.65	0.17	1.00	0.04
Cyclopamine	ME710106	1.90	1.54	0.16	0.49	0.01
Inosine-5^-monophosphate (IMP)	ME710046	1.83	1.36	0.35	0.64	0.00
(3R)-3-(2-Hydroxyphenyl)-1-phenyl-1,4-pentanedione	ME710660	2.12	0.51	0.73	0.97	0.14
L-Cladinpyranose	ME710665	1.81	0.58	0.89	1.24	0.06
D-Erythro-sphingosine 1-phosphate	ME710151	1.89	0.52	1.17	0.53	0.01
Carboprost Methyl	ME710328	2.30	0.39	0.88	0.45	0.10
Norketamine	ME710377	2.42	0.43	0.73	0.53	0.01
1-(1-Pyrrolidinyl)-2-butanone	ME710450	2.24	0.30	0.96	0.67	0.07
Taurochenodeoxycholic acid	ME710365	2.11	0.52	0.91	0.63	0.01
PEG-4	ME710478	2.69	0.17	0.64	0.64	0.10
4-Methoxychalcone	ME710586	2.44	0.57	0.33	1.00	0.17
Ketoprofen	ME710376	2.33	0.68	0.45	0.80	0.07
Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate	ME710654	2.48	0.57	0.50	0.60	0.03
Ketamine	ME710101	2.48	0.70	0.00	1.55	0.00
MO4650000	ME710118	2.29	0.19	0.67	1.59	0.04
4-Vinylcyclohexene	ME710178	0.65	1.79	0.61	0.57	1.31
N-Methyl-2-pyrrolidone	ME710569	1.20	1.47	0.66	0.53	0.65
Isobutyric acid	ME710359	1.17	1.04	1.03	0.69	0.69
3-(3-methylthio)propylmalic acid	ME710076	1.10	1.15	0.80	1.06	0.81
2-Hydroxy-4-(methylthio)butanoic acid	ME710650	1.18	1.10	0.83	0.89	0.81
(2Z)-2,4-Dihydroxy-2-heptenedioic acid	ME710494	1.15	1.07	0.82	0.94	0.96
(2E,4E,7E)-2,4,7-Decatrienoic acid	ME710684	0.50	0.64	2.12	0.82	0.50
5-(3,4-Dihydroxyphenyl)pentanoic acid	ME710677	0.42	0.46	2.20	1.01	0.79
(2Z,4Z,6Z)-2,4,6-Nonatrienal	ME710626	1.03	0.34	1.93	0.78	0.47
Cyclo(leucylleucine)	ME710619	1.19	0.48	1.77	0.43	0.48
4alpha-hydroxymethyl-4beta-methylzymosterol	ME710407	0.77	0.87	1.51	0.63	0.99
mephenesin	ME710530	0.81	0.58	1.70	1.00	0.77
carisoprodol	ME710633	1.90	0.09	1.32	1.15	0.07
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	ME710503	1.58	0.20	1.61	1.01	0.02
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one	ME710667	1.60	0.21	1.48	1.17	0.10
N-Tridecanoylglycine	ME710173	1.57	0.23	1.54	1.14	0.01
(3E)-3-propylidenephthalide	ME710679	1.72	0.06	1.63	0.91	0.08
11-Aminoundecanoic acid	ME710549	1.72	0.15	1.47	1.07	0.06
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid	ME710568	1.84	0.10	1.46	0.99	0.02
2S-Amino-tridecanoic acid	ME710522	1.34	0.24	1.82	0.97	0.02
Brassylic acid	ME710611	1.36	0.30	1.78	0.85	0.04
3-Nonanon-1-ol	ME710527	1.31	0.24	1.73	1.16	0.15
(+)-Retronecine	ME710598	1.29	0.18	1.85	1.08	0.11
N-Nonanoylglycine	ME710195	1.23	0.43	1.62	1.22	0.09
Perzinfotel	ME710395	1.11	0.47	1.72	1.23	0.01
N-Undecanoylglycine	ME710024	1.47	0.33	1.56	1.09	0.02
Adenylsuccinic acid	ME710164	1.33	0.43	1.62	1.04	0.01
Hexylbenzene	ME710332	1.36	0.52	1.50	1.03	0.02
2-(1H-indol-3-yl)acetic acid	ME710610	1.37	0.46	1.53	1.09	0.02
(2S)-2-Amino-8-oxodecanoic acid	ME710552	1.41	0.44	1.52	1.05	0.03
capuride	ME710483	1.49	0.31	1.79	0.50	0.01
Tetramethylurea	ME710631	1.61	0.61	1.48	0.18	0.07
Isovalerylglutamic acid	ME710354	0.82	0.96	1.31	1.75	0.01
Glycyl-L-asparaginyl-D-leucine	ME710592	0.71	0.88	1.48	1.81	0.01
Formylkynurenine	ME710263	0.80	0.95	1.41	1.55	0.04
4-Hydroxybenzaldehyde	ME710087	0.67	0.99	1.46	1.67	0.01
trihomomethionine	ME710529	0.73	0.89	1.50	1.63	0.05
Leucylmethionine	ME710620	0.75	0.73	1.50	2.01	0.04
2-oxohex-4-enoic acid	ME710302	0.88	0.67	1.49	1.83	0.07
DL-Glutamine	ME710136	0.93	0.58	1.47	1.99	0.06
2-(Diethylamino)ethanol	ME710091	0.53	0.84	1.63	1.99	0.00
Valylvaline	ME710348	0.67	0.69	1.70	1.83	0.00
Diethyleneglycol dibenzoate	ME710594	0.60	0.52	1.87	1.65	0.40
3,4-Methylenesebacic acid	ME710664	0.91	0.56	1.70	1.14	0.44
4-ACETAMIDOBUTYRIC ACID	ME710393	0.78	0.57	1.81	1.16	0.43
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid	ME710430	0.79	0.39	2.06	1.08	0.31
(2E)-2-Octenal	ME710269	0.96	0.42	1.86	1.09	0.31
2-[(2Z)-2-({4-[(3-Aminopropyl)amino]butyl}imino)-2-hydroxyethyl]-2-hydroxysuccinic acid	ME710590	0.78	0.38	2.08	1.40	0.01
2,3,4,9-Tetrahydro-1H-ß-carboline-3-carboxylic acid	ME710671	0.79	0.40	2.06	1.36	0.04
2-hydroxysebacic acid	ME710427	0.86	0.41	2.02	1.24	0.04
FAD	ME710180	0.85	0.44	2.00	1.28	0.00
6-Methylnicotinamide	ME710062	1.03	0.32	1.96	1.21	0.00
9-Oxononanoic acid	ME710187	0.96	0.32	1.98	1.19	0.15
Methyl (4E)-4,7-octadienoate	ME710275	0.95	0.31	2.04	1.12	0.13
riboflavin cyclic 4^,5^-phosphate	ME710177	0.87	0.66	1.92	0.87	0.00
(2E,6Z)-Nona-2,6-dienal	ME710491	0.74	0.49	2.20	0.90	0.03
4-Guanidinobutyric acid	ME710103	0.67	0.59	2.09	1.11	0.00
7-Octene-3,5-diyn-1-ol	ME710236	0.60	0.93	1.71	1.32	0.07
1,3-Dipropylxanthine	ME710205	0.66	0.97	1.65	1.29	0.00
5-Butyloxazole	ME710147	0.64	0.95	1.68	1.31	0.03
cyclo(L-Phe-L-Pro)	ME710392	0.71	0.97	1.56	1.37	0.01
Caffeine	ME710014	0.69	0.89	1.62	1.48	0.00
N-(3-acetamidopropyl)pyrrolidin-2-one	ME710410	0.59	0.99	1.63	1.47	0.03
Threonylleucine	ME710137	0.70	1.13	1.42	1.39	0.00
Acetylarginine	ME710080	0.73	1.15	1.43	1.23	0.00
Desthiobiotin	ME710413	0.72	1.10	1.46	1.30	0.01
Nadolol	ME710243	0.57	1.14	1.56	1.32	0.00
(4E)-2-Amino-3-oxo-4-decenoic acid	ME710406	0.65	1.07	1.55	1.33	0.01
Fasoracetam	ME710493	0.65	1.08	1.54	1.31	0.01
his-met	ME710612	0.76	0.96	1.57	1.24	0.01
5-Hydroxyindole-3-acetic acid	ME710605	0.70	1.07	1.55	1.19	0.01
D-lysopine	ME710198	0.68	1.04	1.59	1.22	0.00
epsilon-Caprolactone	ME710219	0.74	0.99	1.68	0.88	0.12
L-(+)-Arginine	ME710078	0.83	0.94	1.68	0.88	0.01
Docosahexaenoic acid ethyl ester	ME710448	0.63	0.93	1.78	1.14	0.03
Urocanic acid	ME710105	0.67	1.00	1.70	1.05	0.03
[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl](5-methyl-3-phenyl-4-isoxazolyl)methanone	ME710636	0.75	0.88	1.71	1.12	0.03
Val-Leu	ME710149	0.74	0.79	1.78	1.21	0.00
g-Guanidinobutyrate	ME710135	0.46	0.81	1.92	1.52	0.00
leu-thr	ME710595	0.62	0.75	1.78	1.60	0.02
C8-HSL	ME710550	0.36	0.83	2.06	1.25	0.13
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid	ME710556	0.69	0.59	1.94	1.40	0.04
Suberic acid	ME710279	0.75	0.66	1.86	1.26	0.06
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanediol	ME710453	0.69	0.69	1.89	1.27	0.06
Cyclohexanecarboxylic acid	ME710278	0.67	0.72	1.88	1.26	0.07
N-Acetyl-L-carnosine	ME710264	0.72	0.66	1.92	1.24	0.00
Vorinostat	ME710265	0.75	0.60	1.93	1.30	0.00
NP-011220	ME710558	0.60	0.65	2.04	1.25	0.02
metharbital	ME710536	0.49	0.72	2.04	1.33	0.06
MFCD01318772	ME710455	0.52	0.76	2.01	1.24	0.04
2-Acetamido-2-deoxy-3-O-(6-deoxy-alpha-L-galactopyranosyl)-D-glucose	ME710545	0.63	0.77	1.95	1.12	0.01
8-Amino-7-oxononanoic acid	ME710360	0.61	0.82	1.90	1.16	0.03
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME710470	0.59	0.76	1.93	1.27	0.01
DL-Histidine	ME710100	0.57	0.83	1.86	1.32	0.00
ISOXYL	ME710021	0.55	0.81	1.92	1.30	0.00
Biacetyl	ME710317	0.90	0.84	1.44	1.51	0.03
Pro-Pro	ME710378	0.95	0.81	1.43	1.50	0.02
1-(1-Pyrrolidinyl)acetone	ME710661	0.86	0.80	1.53	1.41	0.11
Prolylleucine	ME710152	0.92	0.76	1.53	1.47	0.00
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (11Z)-11-icosenoate	ME710343	0.86	0.72	1.60	1.53	0.01
dacisteine	ME710284	0.83	0.76	1.62	1.47	0.01
N-(2-Methylbutyl)-N^-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiourea	ME710325	1.08	0.57	1.60	1.36	0.00
Testosterone	ME710647	0.93	0.60	1.65	1.50	0.03
2-Oxindole	ME710344	0.95	0.50	1.80	1.37	0.01
1-(beta-D-ribofuranosyl)thymine	ME710057	0.95	0.59	1.72	1.33	0.00
4-(5-{5-[(2S)-1-(4-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)morpholine	ME710391	0.93	0.61	1.69	1.35	0.07
val-phe	ME710480	0.79	0.66	1.81	1.36	0.01
dictyoquinazol B	ME710468	0.78	0.63	1.80	1.44	0.01
PEG n6	ME710138	0.81	0.61	1.81	1.41	0.02
N-(Carboxymethyl)norleucine	ME710405	0.72	0.78	1.74	1.41	0.01
Desoxycortone	ME710398	0.76	0.71	1.75	1.43	0.01
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one	ME710139	0.80	0.69	1.72	1.48	0.00
Ethyl docosahexaenoate	ME710148	0.80	0.69	1.71	1.49	0.00
4-Methoxybenzaldehyde	ME710520	0.92	0.70	1.59	1.32	0.16
2,5-Dimethyl-4-ethoxy-3(2H)-furanone	ME710338	0.75	0.83	1.66	1.34	0.06
thr-trp	ME710643	0.84	0.83	1.62	1.28	0.02
6-Oxo-pipecolinic acid	ME710571	0.76	0.73	1.69	1.36	0.17
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid	ME710434	0.83	0.76	1.69	1.20	0.09
gamma-glutamyltyramine	ME710578	0.82	0.70	1.77	1.26	0.02
Meglutol	ME710181	0.79	0.70	1.76	1.26	0.11
N-Acetylvaline	ME710582	0.83	0.70	1.73	1.26	0.07
(2E)-decenoic acid	ME710357	0.82	0.47	1.85	1.42	0.21
Ala-Tyr	ME710306	0.82	0.55	1.75	1.70	0.00
ile-tyr	ME710316	0.85	0.41	1.91	1.58	0.00
N-(tert-Butoxycarbonyl)-L-leucine	ME710041	1.37	1.37	0.64	1.04	0.00
DL-Carbidopa	ME710374	1.23	1.45	0.78	0.83	0.03
NP-001346	ME710073	1.10	1.62	0.82	0.64	0.00
Adenosine diphosphate (ADP)	ME710403	1.46	0.90	1.07	0.90	0.01
(+)-podocarpic acid	ME710490	1.43	0.97	0.99	0.98	0.06
Pseudopelletierine	ME710423	1.51	1.03	0.94	0.79	0.01
shrimp shell	ME710326	1.37	1.06	1.03	0.80	0.03
Diphenylamine	ME710079	1.18	1.03	1.25	0.86	0.00
MFCD01111382	ME710382	1.16	0.93	1.31	0.90	0.11
Cysteine-glutathione disulfide	ME710054	1.24	1.01	1.29	0.64	0.00
Cytidine 5^-monophosphate (hydrate)	ME710366	1.29	0.97	1.22	0.78	0.01
Leucylasparagine	ME710098	1.33	1.01	1.13	0.82	0.00
cystine	ME710185	1.07	1.31	1.10	0.82	0.00
3-Indoleacetamide	ME710314	1.11	1.27	1.03	0.96	0.00
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME710651	1.06	1.23	1.13	0.92	0.04
Meptazinol	ME710589	1.06	1.26	1.19	0.68	0.06
Gabapentin	ME710334	1.31	1.14	1.08	0.63	0.02
DL-Serine	ME710155	1.20	1.17	1.10	0.78	0.04
Taurine	ME710067	1.19	1.12	1.15	0.82	0.01
2-Amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)hexanoic acid (non-preferred name)	ME710486	1.15	1.15	1.19	0.74	0.05
Ethyl N-ethylanthranilate	ME710584	1.22	1.08	1.21	0.71	0.03
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine	ME710580	1.22	1.27	1.02	0.71	0.01
Guanosine monophosphate	ME710066	1.23	1.21	1.04	0.80	0.00
Maleamic acid	ME710019	1.28	1.17	1.02	0.84	0.00
Uric acid	ME710081	1.48	1.17	0.99	0.41	0.00
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid	ME710339	1.53	0.95	1.12	0.49	0.01
Elaeokanine C	ME710555	1.44	1.04	1.15	0.39	0.03
Amfepramone	ME710604	1.54	0.78	1.28	0.46	0.02
Bamethan	ME710442	1.47	0.81	1.39	0.31	0.01
3-(5-Hydroxy-1H-imidazol-4-yl)propanoic acid	ME710282	1.26	0.85	1.39	0.63	0.11
2-Butyl-5-ethyl-4-methyloxazole	ME710674	1.45	0.78	1.29	0.65	0.04
fepradinol	ME710473	1.40	0.81	1.32	0.65	0.02
Crotamiton	ME710336	1.22	0.98	1.54	0.10	0.03
Panthenyl ethyl ether	ME710113	1.46	1.24	1.08	0.02	0.00
Vanillin	ME710451	1.23	1.25	1.25	0.14	0.03
1-Isopropenyl-3-isopropylbenzene	ME710313	1.34	1.07	1.33	0.14	0.02
N,N^-Diethylthiourea	ME710570	1.30	1.09	1.33	0.19	0.01
Proline	ME710370	1.32	1.14	1.32	0.01	0.04
1,3,7-Octanetriol	ME710034	1.37	1.12	1.24	0.11	0.06
Triethylene glycol monobutyl ether	ME710179	1.38	1.21	1.19	0.04	0.02
3-Hydroxy-3-(2,3,4-trimethoxyphenyl)propanoic acid	ME710499	1.01	1.51	1.10	0.42	0.02
malonamic acid	ME710170	1.07	1.41	1.07	0.26	0.37
1-arachidonoyl-sn-glycero-3-phosphoethanolamine	ME710247	1.54	1.17	0.79	0.43	0.32
NP-012616	ME710648	1.25	1.13	1.11	0.53	0.25
Hexanal	ME710515	1.30	1.04	1.18	0.34	0.36
TKK	ME710069	1.18	1.13	1.16	0.43	0.41
(2E)-2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)ethyl]but-2-enedioic acid	ME710658	0.38	1.43	1.59	0.95	0.06
Levetiracetam	ME710414	0.47	1.41	1.28	1.56	0.03
N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine	ME710683	0.45	1.31	1.41	1.54	0.03
4-Hydroxyprolylmethionine	ME710245	0.69	1.51	1.10	1.27	0.00
Butobarbital	ME710295	0.64	1.48	1.21	1.18	0.00
(3aS,4R,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid	ME710085	0.70	1.36	1.30	1.10	0.00
.alpha.-Apocholic acid	ME710172	0.73	1.22	1.38	1.16	0.00
3-Tropanol	ME710525	1.10	0.59	1.43	0.96	0.74
7-Methyl-2-benzofurancarboxaldehyde	ME710585	1.26	0.58	1.31	1.01	0.60
Isopropyl catechol	ME710668	1.29	0.66	1.18	1.06	0.61
2-Decylfuran	ME710363	1.28	0.91	0.93	1.40	0.29
2-Propionyl-1,4,5,6-tetrahydropyridine	ME710287	1.15	0.90	0.93	1.43	0.63
LQ1825000	ME710574	1.18	0.88	1.01	1.29	0.54
15(R)-Lipoxin A4	ME710601	1.46	0.82	0.84	1.69	0.03
(3S)-3-Isopropenyl-6-oxoheptanoyl-CoA	ME710609	1.46	0.69	0.98	1.66	0.01
10-oxo-8-decenoic acid	ME710342	1.13	0.79	1.22	1.56	0.08
2-(acetylamino)-3-(1H-indol-3-yl)propanoic acid	ME710528	1.16	0.91	1.08	1.57	0.03
Edoxudine	ME710141	1.21	0.87	1.09	1.55	0.01
LNK	ME710104	1.06	0.95	1.09	1.74	0.00
(+/-)8-HEPE	ME710608	1.19	0.82	1.06	1.77	0.04
EPTC	ME710086	1.28	0.83	0.99	1.75	0.00
Phenethylamine	ME710324	1.25	0.90	0.93	1.80	0.01
L-(+)-Cysteine	ME710516	1.00	0.81	1.21	1.94	0.01
(2R,3S)-2,3-Dihydroxy-4-iminobutyl dihydrogen phosphate	ME710231	1.08	1.06	0.88	1.96	0.00
Voglibose	ME710088	1.26	0.85	0.88	2.04	0.00
Histamine	ME710355	0.91	0.71	1.74	1.06	0.04
?-L-Glutamyl-L-glutamic acid	ME710050	0.98	0.65	1.71	1.18	0.00
Pyridoxamine	ME710253	0.97	0.89	1.49	1.10	0.03
Valaciclovir	ME710215	0.94	0.94	1.52	1.01	0.00
Fasudil	ME710389	0.88	0.88	1.62	1.04	0.01
Acetanilide	ME710174	0.93	0.87	1.55	1.13	0.01
N2-Dimethylguanosine	ME710622	0.92	0.82	1.58	1.18	0.01
DL-gamma-carboxyglutamic acid	ME710547	1.03	0.74	1.62	0.98	0.05
cis-acetylacrylic acid	ME710289	1.01	0.79	1.59	0.88	0.13
Veliparib	ME710579	1.08	0.74	1.61	0.86	0.06
Glycylglutamic acid	ME710230	0.98	0.95	1.50	0.90	0.02
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropteridin-4-one	ME710277	1.13	0.86	1.46	0.88	0.00
Glycyl-4-hydroxyproline	ME710404	1.13	0.83	1.47	0.90	0.01
[3-(4-Methoxyphenyl)-2-oxiranyl]methanol	ME710492	0.80	0.95	1.50	1.29	0.10
Methyl alpha-aspartylphenylalaninate	ME710096	0.91	0.90	1.47	1.29	0.00
(5S)-5-(D-Galactopyranosyloxy)-L-lysine	ME710089	0.89	0.96	1.47	1.17	0.00
N8-Acetylspermidine	ME710321	0.93	0.95	1.43	1.21	0.00
Glutaric acid	ME710238	1.00	1.00	1.26	1.29	0.06
3-(3,4-dihydroxyphenyl)propanoic acid	ME710010	0.92	0.96	1.38	1.33	0.00
L-Tyrosine	ME710012	0.91	0.99	1.37	1.34	0.00
(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	ME710092	0.96	1.00	1.34	1.23	0.00
glu-leu	ME710047	0.92	1.03	1.33	1.29	0.00
4-[(3-Acetamidopropyl)amino]butanoic acid	ME710189	1.08	0.71	1.47	1.36	0.01
1,2,3,4-Tetrahydro-Î²-carboline-3-carboxylic acid	ME710521	0.99	0.67	1.59	1.36	0.03
GELSEMICINE	ME710431	0.96	0.76	1.55	1.32	0.01
butoctamide	ME710459	1.03	0.76	1.49	1.28	0.02
Crotanecine	ME710424	1.01	0.73	1.53	1.29	0.03
8-Hydroxy-5,6-octadienoic acid	ME710497	1.07	0.81	1.43	1.18	0.06
Sebacic acid	ME710368	1.06	0.77	1.46	1.21	0.07
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone	ME710440	1.01	0.74	1.56	1.14	0.09
Indole-5,6-quinone	ME710481	1.01	0.78	1.54	1.16	0.03
.beta.-Alanine	ME710379	1.09	0.90	1.27	1.23	0.12
Ureidopropionic acid	ME710160	1.11	0.87	1.34	1.10	0.10
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norleucine	ME710256	1.14	0.76	1.38	1.30	0.00
MFCD03840564	ME710056	1.17	0.77	1.37	1.23	0.00
Phenylacetylglycine	ME710052	1.18	0.75	1.38	1.24	0.00
Pro-tyr	ME710362	1.07	0.91	1.29	1.33	0.01
2-Amino-3-methoxybenzoic acid	ME710252	1.13	0.86	1.30	1.29	0.00
L-Glutathione oxidized	ME709996	1.10	0.86	1.33	1.30	0.00
Nicotinuric acid	ME710242	1.03	0.86	1.42	1.24	0.00
N4-Acetylcytidine	ME710241	1.06	0.87	1.36	1.27	0.00
N6-Me-Adenosine	ME710237	1.05	0.87	1.37	1.25	0.00
Cytidine	ME710025	0.99	0.90	1.37	1.34	0.00
7-Methylguanine	ME710124	1.03	0.85	1.40	1.33	0.00
O-(3-Carboxypropanoyl)homoserine	ME710512	1.07	0.84	1.35	1.34	0.02
5-Oxonorleucine	ME710318	1.09	0.77	1.30	1.28	0.34
Adipoin	ME710333	0.91	0.99	1.25	1.44	0.19
ZINGEROL	ME710421	0.96	0.95	1.25	1.38	0.22
Pramiracetam	ME710649	1.51	0.41	1.40	1.19	0.02
2-Heptyl-3-(2,4-pentadiyn-1-yl)oxirane	ME710646	1.54	0.41	1.30	1.33	0.05
N-lauroylglycine	ME710400	1.41	0.45	1.38	1.38	0.01
5-{4-[2-(Methylamino)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione	ME710469	1.20	0.51	1.49	1.48	0.01
L-Isoleucyl-L-alanyl-D-arginine	ME710537	1.20	0.57	1.42	1.52	0.01
Pyridoxal 5^-phosphate	ME710223	1.15	0.59	1.42	1.58	0.00
4-Hydroxyprolylproline	ME710564	1.30	0.65	1.28	1.40	0.02
Lauramide	ME710159	1.20	0.63	1.28	1.46	0.25
methyprylon	ME710540	1.16	0.53	1.65	1.00	0.16
b-Angelica lactone	ME710390	1.08	0.64	1.51	1.17	0.25
N-Desmethyltramadol	ME710280	1.12	0.68	1.47	1.05	0.26
Timonacic	ME710075	1.27	0.52	1.45	1.30	0.11
N-Acetylhistamine	ME710293	1.12	0.64	1.51	1.26	0.05
S-(1H-Indol-3-ylmethyl)-L-cysteine	ME710474	1.24	0.61	1.45	1.25	0.00
NP-018661	ME710347	1.28	0.75	1.24	1.11	0.20
QV1MVO1R	ME710165	1.31	0.74	1.33	1.04	0.00
DL-2-(acetylamino)-3-phenylpropanoic acid	ME710577	1.23	0.81	1.35	1.01	0.01
DL-Alanine	ME710285	1.23	0.82	1.30	1.07	0.06
(E,E)-2,4-Dodecadienal	ME710508	1.28	0.61	1.46	1.09	0.04
Rimantadine	ME710437	1.29	0.64	1.42	1.11	0.01
cuscohygrine	ME710369	1.25	0.65	1.46	1.09	0.01
Luciduline	ME710300	1.25	0.65	1.45	1.10	0.01
1-(3-Furyl)-1,4-pentanediol	ME710257	1.29	0.73	1.25	1.22	0.08
Azelaic acid	ME710197	1.27	0.74	1.27	1.24	0.05
NP-018716	ME710394	1.34	0.66	1.29	1.22	0.04
Homocarnosine	ME710312	1.29	0.69	1.35	1.18	0.01
L-Dopa	ME710234	1.30	0.68	1.35	1.17	0.00
NP-020439	ME710670	1.53	0.57	1.33	0.90	0.02
3-Hydroxy-5-methoxy-6-methyl-2,3-dihydro-4H-pyran-4-one	ME710485	1.33	0.81	1.28	0.84	0.12
Allyl cyclohexanebutyrate	ME710055	1.33	0.69	1.36	0.94	0.12
Cyprodenate	ME710053	1.33	0.68	1.36	0.95	0.13
Triphenyl phosphate	ME710639	1.52	0.55	1.21	1.00	0.30
Acetyl-L-methionine	ME710446	1.55	0.70	1.06	1.22	0.01
Uracil	ME710038	1.41	0.80	1.14	1.13	0.00
N-acetyl-N-hydroxy-L-ornithine	ME710207	1.05	1.41	0.81	1.32	0.00
Benzil	ME710322	1.09	1.27	0.84	1.48	0.01
Osthol	ME710466	1.15	1.29	0.81	1.36	0.01
N,N-Bis(2-hydroxyethyl)dodecanamide	ME710506	1.19	1.18	0.78	1.40	0.24
Sarpogrelate	ME710638	0.95	1.25	0.97	1.31	0.26
(1R,9R)-5-(2-Methylphenyl)-11-(propylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one	ME710539	1.04	1.31	0.76	1.41	0.30
Styrene	ME710534	1.00	1.34	0.84	1.31	0.25
Bis(methylbenzylidene)sorbitol	ME710095	1.00	1.33	0.83	1.34	0.26
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	ME710465	0.98	1.34	0.83	1.35	0.25
2-Phenylethyl D-glucopyranoside	ME710384	0.98	1.33	0.85	1.34	0.25
L-Aspartic acid	ME710114	1.25	1.09	1.02	1.09	0.02
Glycyl-L-leucine	ME710127	1.28	1.03	1.06	1.07	0.00
L-Histidine	ME710077	1.27	1.04	1.04	1.12	0.01
Clavamycin E	ME710214	1.19	1.13	1.06	1.04	0.00
Homocitrulline	ME710201	1.18	1.08	1.08	1.12	0.01
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide	ME710246	1.22	1.07	1.09	1.05	0.00
fosfocreatinine	ME710266	1.22	1.04	1.11	1.05	0.02
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid	ME710566	1.22	1.06	1.12	0.93	0.07
DL-Homoserine	ME710064	1.18	1.08	1.14	0.98	0.01
Pyrone	ME710168	1.18	1.03	1.18	1.01	0.00
pentabamate	ME710200	1.17	0.95	1.24	1.11	0.01
N-acetyl-LL-2,6-diaminopimelic acid	ME710303	1.28	0.93	1.20	0.97	0.00
(R)-3-Hydroxy myristic acid	ME710581	1.24	0.93	1.18	1.04	0.10
terizidone	ME710399	1.22	1.01	1.08	1.19	0.01
Valine	ME710011	1.23	1.02	1.08	1.18	0.00
L(+)-Ornithine	ME710169	1.17	1.02	1.13	1.19	0.03
Succinic anhydride	ME710143	1.18	1.03	1.09	1.22	0.03
L-decyline	ME710678	1.11	1.10	1.11	1.20	0.02
.alpha.-Aminoadipic acid	ME710016	1.16	1.13	1.01	1.24	0.00
5-Hydroxy-DL-tryptophan	ME710249	1.13	1.09	1.08	1.25	0.00
3-Indoleacetonitrile	ME710452	1.16	1.08	1.06	1.25	0.01
Indole-3-acetaldehyde	ME710271	1.16	1.09	1.05	1.25	0.00
Diethanolamine	ME710065	1.18	1.00	1.11	1.27	0.01
Prolinamide	ME710063	1.18	1.00	1.11	1.27	0.01
Cinnamic acid	ME710190	1.17	1.00	1.11	1.29	0.00
N-Aceyl-L-tyrosine	ME710308	1.17	1.01	1.10	1.29	0.00
Acetyl adenylate	ME710292	1.17	1.06	1.04	1.32	0.01
Pivagabine	ME710553	1.16	1.06	1.04	1.31	0.03
Benzaldehyde	ME710301	1.13	1.02	1.11	1.33	0.01
6-Methylquinoline	ME710211	1.16	1.02	1.08	1.34	0.00
DL-Tryptophan	ME710008	1.17	1.03	1.06	1.33	0.00
N,N-dimethylarginine	ME710221	1.08	1.08	1.11	1.33	0.00
Thymidine	ME710408	1.10	1.08	1.12	1.26	0.01
L-Phenylalanine	ME710003	1.11	1.04	1.15	1.27	0.00
N-Acetylnorvaline	ME710250	1.11	1.02	1.14	1.28	0.02
Trimethylenetetraurea	ME710364	1.23	0.92	1.10	1.37	0.00
D-PANTOTHENIC ACID	ME710022	1.13	0.96	1.20	1.29	0.00
Hypoxanthine	ME709995	1.09	0.98	1.17	1.41	0.00
indoline-2-carboxylic acid	ME710438	1.06	0.99	1.19	1.35	0.02
Succinyladenosine	ME710093	1.07	0.99	1.19	1.36	0.00
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME710456	1.13	0.93	1.15	1.43	0.04
1-(4-Amino-4-deoxy-beta-D-glucopyranuronosyl)-4-imino-1,4-dihydro-2-pyrimidinol	ME709999	1.14	1.00	1.11	1.39	0.00
(6R)-9-(beta-D-Ribofuranosyl)-6,9-dihydro-1H-purin-6-ol	ME710281	1.14	0.97	1.12	1.43	0.01
Inosine	ME709998	1.12	0.99	1.12	1.43	0.00
Pro-Hyp	ME710153	1.20	0.86	1.27	1.18	0.00
lys-tyr	ME710132	1.22	0.88	1.20	1.24	0.00
D-(+)-Proline	ME710030	1.26	0.89	1.17	1.20	0.00
N-(2-Amino-3-methylbutanoyl)glutamine	ME710235	1.22	0.91	1.19	1.20	0.00
MFCD15144952	ME710254	1.25	0.91	1.11	1.26	0.07
2-Methylthiazolidine	ME710116	1.29	0.89	1.12	1.27	0.00
L-(-)-Methionine	ME710009	1.28	0.91	1.11	1.25	0.00
Anthranilic acid	ME710184	1.28	0.80	1.21	1.26	0.01
Phenylisocyanate	ME710248	1.29	0.79	1.21	1.27	0.00
2-pyridylacetylglycine	ME710199	1.33	0.82	1.15	1.27	0.01
N-[(2S)-2-Hydroxypropanoyl]-L-phenylalanine	ME710599	1.29	0.85	1.15	1.26	0.01
3,4-Dimethylbenzoic acid	ME710625	1.24	0.94	1.10	1.14	0.15
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydro-2-furanol	ME710233	1.28	0.97	1.01	1.28	0.07
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid	ME710538	1.20	0.95	1.11	1.26	0.10
Carvacrol ethyl ether	ME710513	1.21	0.94	1.08	1.28	0.14
Homo-L-arginine	ME710229	1.44	1.04	0.84	1.20	0.00
N-(3,4-Dihydroxyphenyl)glutamine	ME710059	1.36	1.13	0.89	1.05	0.00
Pyridoxal	ME710425	1.33	1.21	0.79	1.14	0.05
Veronal	ME710454	1.20	1.12	0.94	1.32	0.04
9-Anthroic acid	ME710029	1.13	1.18	0.95	1.35	0.00
Nicotinamide	ME710005	1.16	1.12	0.97	1.37	0.00
Creatinine	ME710026	1.18	1.14	0.90	1.47	0.00
N-Propanoylimidazole	ME710226	1.20	1.16	0.88	1.38	0.04
ophthalmic acid	ME710051	1.22	1.16	0.88	1.37	0.00
LU3453000	ME710167	1.25	1.14	0.88	1.28	0.01
5-ureidoimidazole-4-carboxylic acid	ME710006	1.27	1.09	0.94	1.26	0.00
Xanthine	ME710007	1.27	1.09	0.94	1.26	0.00
DL-Lysine	ME710044	1.20	1.14	0.98	1.19	0.00
D-(+)-Pipecolinic acid	ME710045	1.20	1.14	0.98	1.19	0.00
S-Adenosylhomocysteine	ME710023	1.23	1.09	1.01	1.18	0.00
Tetrahydro-5-oxo-2-furanacetic acid	ME710017	1.22	1.10	1.00	1.20	0.00
US4550000	ME710294	1.10	1.15	1.01	1.27	0.06
3-Methyl-6,7,8-trihydropyrrolo[1,2-a]pyrimidin-2-one	ME710541	1.15	1.14	1.00	1.20	0.07
N-valeryl-Glycine	ME710373	1.16	1.17	0.95	1.23	0.06
(E)-2-Butenyl-4-methyl-threonine	ME710380	1.23	1.20	0.94	1.04	0.03
3-Thiomorpholinecarboxylic acid	ME710122	1.25	1.21	0.96	0.95	0.00
L-Glutamic acid	ME710013	1.22	1.21	0.99	0.95	0.00
Tenuazonic acid	ME710645	1.15	1.22	0.94	1.20	0.02
Gly-l-pro	ME710315	1.14	1.29	0.92	1.11	0.02
Pipecolic acid	ME710015	1.16	1.29	0.89	1.16	0.00
S-3-oxodecanoyl cysteamine	ME710082	0.84	1.15	1.23	1.42	0.01
2,3-Octadiene-5,7-diyn-1-ol	ME710048	0.89	1.05	1.30	1.39	0.00
asp-leu	ME710154	0.84	1.12	1.30	1.36	0.00
5-Methylcytidine	ME710043	0.89	1.16	1.15	1.50	0.00
Ne-Acetyllysine	ME710162	0.79	1.24	1.18	1.48	0.00
MFCD00070502	ME710353	0.98	1.09	1.10	1.52	0.05
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid	ME710418	1.02	1.11	1.11	1.42	0.01
mycosporine	ME710192	1.06	1.04	1.12	1.44	0.00
3,5-di-tert-Butyl-4-hydroxybenzoic acid	ME710496	1.02	1.16	1.02	1.37	0.13
Tetradecanedioic acid	ME710504	1.08	1.07	1.03	1.46	0.10
1-Methylhistidine	ME710130	1.05	1.16	1.14	1.11	0.01
2^-Deoxyinosine	ME710565	1.05	1.07	1.19	1.22	0.01
Adenosine 5^-monophosphate	ME710002	1.05	1.10	1.17	1.20	0.00
Guanine	ME710032	1.06	1.03	1.24	1.19	0.00
Guanosine	ME710020	1.04	1.03	1.24	1.23	0.00
1-Methylimidazoleacetic acid	ME710070	1.04	1.05	1.22	1.17	0.07
N(tau)-Methyl-L-histidine	ME710255	1.10	1.04	1.21	1.13	0.02
Cordycepin	ME710669	0.86	1.23	1.22	1.21	0.02
pentahomomethionine	ME710212	0.88	1.18	1.24	1.27	0.00
PPH	ME710614	0.88	1.18	1.22	1.27	0.02
5^-dehydroadenosine	ME710350	0.91	1.10	1.29	1.25	0.01
Zalcitabine	ME710175	0.97	1.11	1.25	1.17	0.00
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	ME710033	0.96	1.07	1.22	1.36	0.00
Succinic acid	ME710084	0.97	1.07	1.21	1.36	0.01
PENTOTHAL	ME710227	0.94	1.15	1.17	1.37	0.00
pro-phe	ME710358	0.99	1.13	1.13	1.36	0.01
Leu-Leu	ME710420	1.01	1.20	1.09	1.25	0.00
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid	ME710482	1.01	1.17	1.09	1.30	0.05
D-(+)-Pyroglutamic Acid	ME710074	0.99	1.17	1.11	1.30	0.01
Methotrexate	ME710476	0.99	1.17	1.17	1.17	0.01
Gly-Phe	ME710260	0.98	1.13	1.17	1.28	0.01
Adenosine	ME709997	0.98	1.16	1.16	1.24	0.00
N-(4-Methoxybenzyl)glutamine	ME710449	1.01	1.15	1.15	1.22	0.01
2^-Deoxycytidine	ME710027	1.07	1.18	1.04	1.29	0.00
Cytosine	ME710018	1.06	1.23	0.99	1.29	0.00
Leu-pro	ME710182	0.99	1.27	1.02	1.29	0.00
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	ME710031	1.01	1.22	1.03	1.36	0.00
Leucylproline	ME710144	1.03	1.25	0.98	1.36	0.00
Seryltyrosine	ME710258	0.91	1.31	1.00	1.44	0.00
1-Methyladenosine	ME710635	0.88	1.30	1.08	1.36	0.01
5-Methylcytosine	ME710094	0.95	1.24	1.06	1.37	0.01
APK	ME710637	0.94	1.25	1.06	1.39	0.01
5-Pentylresorcinol	ME710533	0.85	1.31	1.07	1.28	0.13
Adenine	ME710060	0.86	1.41	0.98	1.40	0.00
phe-gln	ME710472	0.87	1.47	0.94	1.29	0.01
met-tyr	ME710532	0.94	1.39	0.95	1.31	0.01
a-Aspartylphenylalanine	ME710352	0.89	1.37	1.01	1.33	0.00
MFCD02728197	ME710272	0.91	1.40	0.99	1.25	0.00
Troxipide	ME710240	0.89	1.40	1.01	1.26	0.00
L-pyrrolysine	ME710202	0.87	1.42	1.07	1.10	0.00
N~2~-Acetyl-L-ornithine	ME710158	0.89	1.40	1.07	1.10	0.00
asn-phe	ME710298	0.88	1.32	1.15	1.12	0.00
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid	ME710274	0.94	1.28	1.13	1.15	0.00
Dihydrothymine	ME710108	0.91	1.31	1.11	1.16	0.01
L-Glutaminyl-L-Leucine	ME710397	0.94	1.31	1.09	1.14	0.01
Acotiamide	ME710409	1.00	1.36	1.03	1.02	0.01
(2S)-4-Acetamido-2-aminobutanoic acid	ME710156	1.03	1.36	0.93	1.16	0.04
Ginkgotoxin	ME710361	0.98	1.35	1.02	1.13	0.01
Ectoine	ME710489	0.77	1.41	1.14	1.07	0.13
L-Cystine	ME710286	0.86	1.31	1.22	0.99	0.01
2-Arachidonoyl glycerol	ME710367	0.91	1.19	1.19	0.81	0.47
10-Undecenoic acid	ME710194	0.85	1.12	1.19	1.04	0.53
2444643WXK	ME710435	0.99	1.09	1.06	0.99	0.65
Cromakalim	ME710222	1.11	1.10	1.01	1.03	0.40
Decanamide	ME710457	1.16	1.08	1.12	0.91	0.21
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one	ME710655	0.90	0.88	1.43	1.04	0.43
Bis(4-ethylbenzylidene)sorbitol	ME710396	1.02	0.85	1.39	1.00	0.32
ascopyrone M	ME710386	1.11	0.94	1.21	1.03	0.34
2,6-Diamino-4-hexenoic acid	ME710462	0.98	1.02	1.25	1.03	0.33
phosphoethanolamine	ME710133	0.95	1.05	1.29	1.05	0.21
(2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name)	ME710443	0.98	0.99	1.58	0.60	0.02
N-acetyl-L-2-aminoadipic acid	ME710596	0.87	1.13	1.33	1.12	0.05
1-Piperideine	ME710375	0.92	1.10	1.33	0.98	0.14
3-Methylcrotonylglycine	ME710444	0.90	1.13	1.34	1.02	0.06
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine	ME710607	1.02	1.07	1.33	0.86	0.09
L-(-)-Serine	ME710071	1.05	1.06	1.29	1.01	0.01
Glycocyamine	ME710061	1.00	1.02	1.38	1.01	0.00
thr-tyr	ME710268	1.07	0.95	1.37	1.02	0.00
ALA-GLU	ME710196	0.75	1.30	1.46	0.69	0.01
L-gamma-Glutamyl-L-methionine	ME710110	0.76	1.22	1.45	0.93	0.00
N-acetyl-beta-D-glucosaminylamine	ME710519	0.75	1.19	1.44	1.01	0.03
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	ME710216	0.92	1.15	1.39	0.83	0.01
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid	ME710186	0.80	1.22	1.44	0.83	0.02
spermidine	ME710115	0.65	1.16	1.60	0.98	0.00
Alanylclavam	ME710458	0.79	1.06	1.53	1.04	0.02
N-Ethylsuccinimide	ME710225	0.82	1.05	1.54	0.94	0.04
N-Succinyl-L-diaminopimelic acid	ME710083	0.13	1.41	2.13	0.30	0.00
2-Hydroxyhippuric acid	ME710551	0.07	0.06	3.58	0.22	0.02
4^-HYDROXYFLAVONE	ME710563	0.18	0.16	2.51	2.22	0.14
Tris(2-butoxyethyl) phosphate	ME710004	0.05	0.03	2.68	2.62	0.00
Benzyl butyl phthalate	ME710039	0.12	0.08	2.61	2.48	0.00
senkyunolide B	ME710206	0.07	0.08	2.65	2.43	0.08
dihydropinosylvin	ME710680	0.13	0.11	3.12	1.03	0.07
IN00260	ME710416	0.13	0.11	3.20	0.88	0.01
2-Isobutyl-3-methylpyrazine	ME710319	0.22	0.15	3.07	0.90	0.01
(E)-Stilbestrol	ME710402	0.17	0.15	3.13	0.87	0.01
1-(4-Hydroxyphenyl)-1-decene-3,5-dione	ME710259	0.38	0.19	2.71	1.27	0.01
Isoliquiritigenin	ME710381	0.29	0.15	2.81	1.26	0.11
5,8a-Dimethyl-3-methylene-3,3a,5,6,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2,7-dione	ME710505	0.22	0.16	2.93	1.15	0.08
CY9070000	ME710475	0.15	0.15	2.99	1.10	0.18
6-Amino-2-methyl-2-heptanyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate	ME710142	0.05	0.09	3.12	1.34	0.00
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid	ME710517	0.16	0.11	2.98	1.35	0.03
Ecgonine methyl ester	ME710327	0.17	0.12	3.03	1.19	0.00
1-(2-Deoxypentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione	ME710145	0.17	0.25	2.75	1.57	0.02
Indoleacetylaspartate	ME710510	0.16	0.18	2.80	1.59	0.06
testolic acid	ME710606	0.10	0.10	2.90	1.70	0.06
Tris(2-chloroethyl) phosphate	ME710261	0.19	0.07	2.91	1.56	0.01
Methyl indole-3-acetate	ME710439	0.10	0.42	2.72	1.40	0.01
2,2^-Iminodipropan-1-ol	ME710049	0.17	0.31	2.77	1.35	0.00
Kaur-15-ene-17,18-dioic acid	ME710618	0.13	0.29	2.85	1.32	0.02
Ethinylestradiol	ME710666	0.15	0.57	2.61	1.16	0.03
7Î±-Hydroxy-3-oxo-4-cholen-24-oic acid	ME710628	0.23	0.41	2.70	1.12	0.03
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME710477	0.16	0.45	2.72	1.15	0.03
DL-Nordihydroguaiaretic acid	ME710676	0.37	0.37	2.43	1.46	0.10
HC blue 2	ME710653	0.44	0.33	2.42	1.39	0.13
Mukaadial	ME710514	0.32	0.31	2.51	1.50	0.13
4^,7-dimethoxy-2,2,4-trimethyl-Delta(3)-isoflavan	ME710602	0.31	0.28	2.58	1.40	0.18
ML-236C	ME710673	0.29	0.30	2.59	1.39	0.16
NP-009314	ME710502	0.41	0.32	2.52	1.19	0.20
7-Mercaptoheptanoylthreonine	ME710597	0.45	0.31	2.52	1.27	0.03
lentiginosine	ME710320	0.37	0.39	2.51	1.32	0.02
N(6)-OH-Me-Adenosine	ME710632	0.30	0.31	2.63	1.34	0.05
NP-005146	ME710624	0.29	0.39	2.63	1.23	0.03
Bethanidine	ME710583	0.54	0.39	2.37	1.22	0.03
Ethyl 3-(Methylthio)propionate	ME710208	0.48	0.39	2.41	1.29	0.01
3-Amino-2-naphthoic acid	ME710617	0.53	0.47	2.34	1.13	0.02
CYCLO(-SER-TYR)	ME710441	0.53	0.49	2.28	1.24	0.01
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME710267	0.29	0.57	2.45	1.24	0.00
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	ME710554	0.37	0.51	2.36	1.37	0.03
pro-thr	ME710309	0.33	0.50	2.42	1.38	0.01
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid	ME710417	0.32	0.48	2.46	1.32	0.01
Cervonoyl ethanolamide	ME710436	0.31	0.48	2.47	1.34	0.02
Carnosol	ME710588	0.41	0.51	2.35	1.25	0.08
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	ME710546	0.40	0.64	2.27	1.22	0.02
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylic acid	ME710329	0.52	0.21	2.38	1.71	0.01
Shogaol	ME710460	0.54	0.43	2.18	1.60	0.02
Flavin mononucleotide (FMN)	ME710372	0.70	0.30	2.20	1.49	0.01
N-Phenyl-beta-D-glucopyranosylamine	ME710385	0.70	0.31	2.23	1.39	0.02
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one	ME710188	0.61	0.32	2.29	1.44	0.01
His-pro	ME710262	0.53	0.42	2.29	1.37	0.02
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME710603	0.52	0.36	2.31	1.46	0.06
Monobutyl phthalate	ME710171	0.54	0.38	2.26	1.44	0.09
(4R)-5-Hydroxy-L-leucine	ME710296	0.26	0.54	2.34	1.60	0.06
Dibutyl phthalate	ME710600	0.37	0.43	2.29	1.54	0.22
Gingerdione	ME710657	0.44	0.35	2.31	1.57	0.17
p-Hydroxybenzalacetone	ME710471	0.50	0.51	2.39	0.90	0.12
Lercanidipine	ME710623	0.46	0.64	2.32	0.94	0.03
L-Kynurenine	ME710037	0.37	0.65	2.41	0.91	0.00
NP-016455	ME710526	0.30	0.44	2.70	0.78	0.12
lycopsamine	ME710445	0.62	0.22	2.57	0.95	0.02
Perazine	ME710484	0.59	0.25	2.59	0.90	0.02
Oxirane, 2-(6-heptenyl)-3-(2,4-pentadiynyl)-	ME710433	0.14	0.17	0.26	7.99	0.08
tyr-thr	ME710251	0.11	0.18	0.22	8.21	0.03
2-(3-Phenylpropyl)pyridine	ME710615	0.63	0.63	0.83	4.17	0.10
L-Isoleucine	ME710000	0.96	0.50	0.39	4.87	0.00
2-octadecanoyl-sn-glycero-3-phosphoethanolamine	ME710119	0.57	0.07	0.94	5.51	0.02
glu-tyr	ME710163	0.11	1.24	0.13	5.80	0.01
goralatide	ME710429	0.38	0.65	0.32	6.06	0.05
L-Glutaminyl-L-tyrosine	ME710518	0.48	0.64	0.28	5.91	0.08

Factors:

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

Data matrix