Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003179)

HILIC NEGATIVE ION MODE (Analysis AN005222)

Metabolite	Structure	F1	F2	F3	F4
Phosphoenolpyruvic acid	ME831223	NA	1.07	0.56	1.22
LysoPC(20:3)	ME831315	NA	1.24	0.58	0.86
xi-7-Hydroxyhexadecanedioic acid	ME831700	NA	1.28	0.68	1.03
malyl alpha-D-glucosaminide	ME831830	NA	1.83	0.16	1.01
Cys/Cys/Cys/Leu/Trp	ME831552	NA	1.47	0.39	1.14
Cys/Cys/Leu/Met/Trp	ME831614	NA	1.61	0.29	1.11
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	ME831732	NA	1.33	0.05	0.98
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate	ME831807	NA	1.51	0.14	1.06
2-C-Methyl-D-erythritol 4-phosphate	ME831425	0.04	2.17	0.40	1.71
Dihydroxyacetone phosphate	ME831229	0.31	1.57	0.28	1.84
3-carboxy-6-(methylsulfanyl)-2-oxohexanoate	ME831708	0.48	0.97	1.92	0.80
Chaetoglobosin A	ME831297	0.66	0.87	1.71	0.87
8-Amino-7-oxononanoate	ME831440	0.91	0.44	1.68	1.00
Acetohydroxamic Acid	ME831843	1.07	0.52	1.85	0.54
Cer(d40:2)	ME831647	1.22	0.94	0.47	1.30
Citric acid	ME831248	1.42	1.12	0.10	1.23
"5-(2^-Formylethyl)-4,6-dihydroxypicolinate"	ME831186	0.76	1.05	1.37	0.91
Thymine	ME831450	0.67	0.93	1.52	0.98
Pseudouridine	ME831448	1.01	0.93	1.29	0.76
Asp/Asp/Ile/Trp/Tyr	ME831538	0.90	0.96	1.30	0.88
Cladinose	ME831764	0.93	1.02	1.27	0.80
dTDP	ME831455	0.84	0.88	1.51	0.82
Pantetheine 4^-phosphate	ME831428	0.91	0.84	1.51	0.78
Nonate	ME831812	1.04	0.76	1.40	0.78
Ala/Cys/Asp/Asp/Tyr	ME831624	0.99	0.79	1.44	0.80
Cys/Cys/Cys/His/Thr	ME831600	0.94	0.82	1.43	0.83
Tridecanoylglycine	ME831754	1.01	0.80	1.00	1.18
lesquerolate	ME831296	1.01	0.72	1.15	1.19
N-Decanoylglycine	ME831789	1.04	0.65	1.21	1.09
N-Nonanoylglycine	ME831860	0.96	0.64	1.24	1.18
Chelirubine	ME831214	1.24	1.11	0.85	0.72
3-hydroxypalmitic acid methyl ester	ME831681	1.13	1.14	0.86	0.82
"Polyethylene, oxidized"	ME831697	1.16	1.10	0.83	0.86
Asp/Met/Asp/Gly	ME831497	1.21	0.80	0.92	1.00
"4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium"	ME831722	1.17	0.97	0.83	0.97
Glyceric acid	ME831237	1.21	0.92	0.84	0.95
Mannitol 1-phosphate	ME831257	1.21	0.96	0.82	0.95
Diketogulonic acid	ME831242	1.20	0.95	0.77	1.01
4-Hydroxybenzoic acid	ME831433	1.25	0.93	0.75	0.99
Ala/Asp/Asp/Pro	ME831505	1.25	0.89	0.73	1.01
"PC(DiMe(11,3)/MonoMe(11,3))"	ME831786	1.31	0.87	0.82	0.90
Ribose 5-phosphate	ME831230	1.30	0.98	0.75	0.87
Deoxyribose 5-phosphate	ME831235	1.27	1.08	0.64	0.93
TG(36:0)	ME831370	1.17	1.08	0.60	1.11
"2,6-Dihydroxy-N-methylmyosmine"	ME831427	1.22	0.78	1.29	0.63
N-Acetyl-L-methionine	ME831881	1.15	0.83	1.30	0.68
Vinylacetylglycine	ME831835	1.12	0.86	1.31	0.68
Cys/Gly	ME831550	1.30	0.68	1.20	0.72
Taurohyocholate	ME831767	1.26	0.69	1.22	0.74
Cys/Asp/Asp/Ser/Thr	ME831576	1.26	0.80	1.17	0.69
5-Acetamidovalerate	ME831183	1.29	0.82	1.14	0.66
Lactic acid	ME831266	1.29	0.79	1.12	0.70
"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid"	ME831868	1.28	0.75	1.18	0.71
Ala/Asp/Glu/Met/Gln	ME831524	1.32	0.74	1.16	0.67
FA oxo(7:0)	ME831380	1.17	0.78	1.25	0.74
PG(17:0)	ME831336	1.21	0.80	1.18	0.74
Ala/Asp/Gly/Tyr	ME831629	1.24	0.75	1.22	0.70
Asn/Leu/Gln/Ser	ME831516	1.23	0.78	1.21	0.70
Ala/Met/Met/Met	ME831569	1.35	0.96	0.96	0.62
2-Hydroxyundecanoate	ME831371	1.37	0.90	0.94	0.67
Cidofovir	ME831686	1.32	0.92	0.93	0.73
ferric dicitrate	ME831684	1.20	0.96	0.96	0.81
Guanosine diphosphate mannose	ME831224	1.21	0.98	0.96	0.78
3-Hydroxyanthranilic acid	ME831187	1.20	1.01	0.90	0.82
Asn/Asp/Cys/Pro	ME831531	1.23	0.98	0.89	0.82
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid	ME831829	1.27	0.81	0.97	0.86
1-Stearoylglycerophosphoinositol	ME831411	1.23	0.84	0.96	0.89
Tauro-b-muricholic acid	ME831707	1.22	0.80	0.99	0.92
N-Lignoceroylsphingosine	ME831310	1.28	0.92	0.88	0.83
N-Acetylaspartylglutamic acid	ME831712	1.27	0.88	0.90	0.85
Neodulin	ME831330	1.24	0.89	0.92	0.87
Cys/Cys/Asp/Met/Pro	ME831542	1.34	0.82	0.94	0.79
Methylmalonic acid	ME831461	1.31	0.86	0.95	0.77
Monomethyl sulfate	ME831824	1.29	0.83	0.96	0.82
"Glycerol 1,3-didodecanoate 2-decanoate"	ME831815	1.29	0.85	0.93	0.82
Palmitoleic acid	ME831407	1.31	0.84	0.94	0.80
hydroxylauric acid	ME831312	1.21	0.90	1.01	0.80
mycosporine glycine	ME831706	1.24	0.89	1.00	0.79
4-Pyridoxic acid	ME831430	1.25	0.87	0.96	0.84
LysoPI(17:0)	ME831293	1.26	0.86	0.98	0.81
Ala/Cys/Asp/Glu	ME831515	1.43	0.59	1.09	0.74
Ala/Leu/Thr/Ser	ME831628	1.37	0.69	1.13	0.69
Ile/Met/Met	ME831543	1.38	0.69	1.11	0.69
Phenolsulfonphthalein	ME831886	1.37	0.73	1.08	0.70
5-Thymidylic acid	ME831459	1.34	0.72	1.12	0.71
Ala/Glu/Pro	ME831523	1.33	0.72	1.11	0.73
Asp/Cys/Gly	ME831555	1.39	0.68	1.02	0.77
"2-trans,6-trans-Farnesal"	ME831299	1.38	0.69	1.07	0.74
Chenodeoxyglycocholate	ME831369	1.38	0.64	1.10	0.75
Hericenone C	ME831668	1.32	0.85	1.09	0.64
N-Succinyl-L-glutamate	ME831207	1.36	0.78	1.09	0.64
2-Amino-3-carboxymuconic acid semialdehyde	ME831172	1.36	0.79	1.05	0.67
PA(34:1)	ME831325	1.34	0.80	1.07	0.67
Asp/Asn/Thr/Thr/Thr	ME831514	1.36	0.78	1.01	0.73
2-hydroxytridecanoate	ME831423	1.35	0.86	0.98	0.69
Gln/Val/Pro/Pro	ME831564	1.33	0.83	1.02	0.71
Gly/Ser/Tyr	ME831641	1.32	0.76	1.08	0.74
"alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene"	ME831783	1.29	0.76	1.10	0.75
N3-hydroxyethylcytosine	ME831853	1.29	0.78	1.11	0.73
2-Amino-4-methylenepentanedioic acid	ME831226	1.31	0.69	1.10	0.79
alpha-Irone	ME831856	1.30	0.73	1.10	0.77
2-Decarboxyphyllocactin	ME831726	1.31	0.77	1.02	0.79
Fumaric acid	ME831238	1.32	0.74	1.05	0.78
a polyisoprenyl-major wall teichoic acid (B. subtilis 168)	ME831747	1.27	0.77	1.06	0.81
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	ME831429	1.29	0.77	1.02	0.83
Glu/Thr/Val/Gly	ME831520	1.29	0.76	1.03	0.83
Asn/Pro/Pro	ME831584	1.26	0.81	1.07	0.77
DG(11M3/9D3/0:0)	ME831753	1.29	0.80	1.06	0.76
Asp/Asp/Asp/Arg/Thr	ME831511	1.28	0.79	1.05	0.78
Dopamine	ME831202	1.29	0.78	1.05	0.78
N-Acetyl-L-aspartic acid	ME831193	1.32	0.81	1.00	0.77
4-Hydroxyphenylacetaldehyde-oxime	ME831181	1.29	0.84	1.02	0.76
Asn/Met/Pro/Ser	ME831604	1.29	0.83	1.03	0.76
Ala/Asn/Pro/Arg/Trp	ME831618	1.30	0.71	1.01	0.88
(+/-)-6-Acetonyldihydrochelerythrine	ME831672	1.30	0.72	0.99	0.80
N4-acetyl-N4-hydroxy-1-aminopropane	ME831848	1.35	0.75	1.00	0.78
Succinyladenosine	ME831869	1.35	0.77	0.98	0.78
Glu/Gly/Val	ME831527	1.36	0.76	0.96	0.80
Hydroxymethylphosphonate	ME831198	1.34	0.76	0.97	0.82
Asn/Met/Thr/Gln	ME831536	1.19	0.76	1.18	0.81
Adlupone	ME831694	1.18	0.78	1.15	0.83
Ala/Asp/Ser/Ser/Thr	ME831596	1.19	0.79	1.14	0.81
Alpha-Ketooctanoic acid	ME831381	1.18	0.81	1.15	0.81
Asn/Leu/Asn/Asp	ME831521	1.16	0.80	1.20	0.79
iodovulone I	ME831292	1.13	0.82	1.19	0.81
1-Palmitoylglycerophosphoinositol	ME831385	1.13	0.81	1.18	0.84
monolinuron	ME831664	1.13	0.81	1.18	0.84
N-Nitrosoproline	ME831713	1.18	0.79	1.06	0.91
Capric acid	ME831396	1.16	0.78	1.09	0.92
FA methyl(8:0)	ME831420	1.17	0.80	1.09	0.89
2-Ethylhexanoic acid	ME831393	1.12	0.81	1.12	0.90
Undecanoic acid	ME831366	1.15	0.84	1.10	0.86
Ala/Asp/Phe/Lys/Lys	ME831563	1.24	0.74	1.12	0.82
"3,3^-Thiobispropanoic acid"	ME831796	1.23	0.80	1.11	0.77
Ala/Asp/Met/Arg/Thr	ME831626	1.23	0.81	1.11	0.78
Iminodiacetic acid	ME831885	1.19	0.80	1.10	0.84
"N,N-Dihydroxy-L-tyrosine"	ME831185	1.20	0.80	1.11	0.83
Dopaquinone	ME831188	1.21	0.79	1.07	0.85
kifunensine	ME831884	1.21	0.81	1.08	0.83
Cyclic ADP-ribose	ME831883	1.22	0.86	1.05	0.80
heptaprenylphospho-beta-D-mannose	ME831715	1.21	0.86	1.06	0.80
Asp/Pro/Ser/Tyr	ME831607	1.20	0.85	1.10	0.78
Glycerol tributanoate	ME831731	1.20	0.85	1.08	0.80
1-Stearoylglycerophosphoglycerol	ME831415	1.16	0.88	1.08	0.83
Ala/Thr/Thr/Ala	ME831513	1.17	0.86	1.12	0.80
P-IsoPGF2-PC	ME831761	1.24	0.83	1.00	0.84
coptisine	ME831873	1.23	0.82	1.06	0.81
"GDP-3,6-dideoxy-D-galactose"	ME831859	1.25	0.82	1.04	0.82
Sulfinpyrazone sulfide	ME831816	1.24	0.82	1.03	0.83
"2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid"	ME831781	1.19	0.82	1.03	0.89
Vitisin B	ME831704	1.18	0.85	1.03	0.88
Ile/Ser/Thr	ME831567	1.18	0.85	1.06	0.86
Adenosine diphosphate ribose	ME831453	1.21	0.84	1.06	0.83
Cys/Cys/His/Asn/Gln	ME831493	1.20	0.86	1.04	0.84
"8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylethyl)chromone"	ME831763	1.13	0.93	1.19	0.71
O-Acetylserine	ME831205	1.13	0.91	1.20	0.72
Epinephrine sulfate	ME831698	1.16	0.92	1.18	0.69
PE(38:3)	ME831363	1.18	0.91	1.15	0.71
3-Dehydro-L-threonate	ME831260	1.28	0.88	1.01	0.73
3-ketothreonate	ME831252	1.26	0.87	1.05	0.74
Flucythrinate	ME831733	1.25	0.89	1.07	0.71
2-Aminomuconic acid	ME831179	1.17	0.93	1.05	0.79
Cys/Ile/Ile/Met/Met	ME831539	1.18	0.92	1.10	0.73
Pyroglutamic acid	ME831203	1.17	0.92	1.09	0.76
MG(14:1)	ME831289	1.11	1.12	0.96	0.77
"11,12,13-TriHOME"	ME831272	1.12	1.03	1.03	0.82
"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate"	ME831750	1.07	1.06	1.02	0.83
4-hydroxy-tridecanoic acid	ME831384	1.09	1.09	1.06	0.73
Asp/Gly/Pro	ME831556	1.13	1.02	1.06	0.75
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside	ME831727	1.17	1.01	1.02	0.75
Acetone cyanohydrin	ME831683	1.02	1.07	1.11	0.80
potassium dihydrogen phosphate	ME831690	0.97	1.14	1.10	0.80
Botrydial	ME831386	1.07	1.04	1.16	0.71
Glutamate methylester	ME831827	1.04	1.00	1.15	0.80
LysoPE(18:3)	ME831295	1.09	0.99	1.09	0.79
Sphingosine 1-phosphate	ME831319	1.09	0.97	1.11	0.80
Hydroxypropionic acid	ME831201	1.09	0.98	1.04	0.86
Asn/Met/Asp/Gln	ME831583	1.07	0.95	1.07	0.89
Dodecanedioic acid	ME831333	1.06	0.96	1.04	0.91
Ethyl 3-oxohexanoate	ME831809	1.07	0.95	1.05	0.91
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone	ME831759	1.09	0.96	1.02	0.91
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate"	ME831855	1.07	1.00	1.02	0.89
"2,5-Dioxopentanoate"	ME831255	1.06	0.99	1.01	0.92
N-Benzyloxycarbonylglycine	ME831880	1.07	0.98	1.01	0.91
aldehydo-octose 8-phosphate	ME831669	1.09	1.02	0.99	0.87
Metazocine	ME831746	1.07	1.03	0.98	0.90
PS(36:2)	ME831414	1.07	1.02	0.97	0.92
Tridecanoic acid	ME831392	1.07	1.01	0.94	0.95
4-Amino-4-deoxychorismate	ME831438	1.09	0.98	0.97	0.92
PC(33:2)	ME831397	1.09	0.99	0.97	0.92
"2,5,6-Trihydroxy-5,6-dihydroquinoline"	ME831756	1.10	0.97	0.97	0.93
3-Oxododecanoic acid	ME831322	1.11	0.96	0.97	0.92
3-Succinoylpyridine	ME831738	1.08	0.86	1.07	0.97
Cys/Cys/Gly/His/Arg	ME831565	1.06	0.86	1.05	1.01
Ala/Cys/Gln/Tyr	ME831554	1.09	0.90	0.99	0.98
ancymidol	ME831826	1.07	0.92	0.98	1.00
N-Acetylanthranilate	ME831837	1.06	0.91	1.00	1.00
Longifolonine	ME831864	1.09	0.93	1.00	0.95
"3-carboxy-2,3-dihydroxypropanoate"	ME831228	1.06	0.95	1.01	0.95
4-methylumbelliferyl-beta-D-cellobioside	ME831677	1.06	0.92	1.04	0.96
Amidosulfonic acid	ME831841	1.07	0.93	1.03	0.95
glutathione sulfinate	ME831849	1.07	0.93	1.03	0.95
Indoleacrylic acid	ME831749	1.03	0.93	1.03	0.99
Dictyoquinazol C	ME831734	1.05	0.90	1.06	0.99
N-methylmaleimide	ME831739	1.06	0.90	1.03	0.98
2-hydroxynonanoic acid	ME831346	1.14	1.01	0.90	0.90
(2-hydroxyethoxy)sulfonic acid	ME831851	1.11	1.00	0.91	0.94
Diethyl adipate	ME831768	1.13	0.97	0.92	0.93
Uridine diphosphate-N-acetylglucosamine	ME831262	1.14	0.98	0.90	0.95
"2,5-Dimethyl-1H-pyrrole"	ME831805	1.13	0.92	0.93	0.98
5-Dehydro-4-deoxy-D-glucarate	ME831247	1.14	0.89	0.97	0.96
2^-hydroxypyridoxol	ME831790	1.13	0.95	0.97	0.91
Dodecanoic acid	ME831282	1.12	0.94	0.99	0.91
Orotidine	ME831874	1.13	0.91	1.00	0.92
Bendiocarb	ME831720	1.14	0.92	0.98	0.92
PE(34:3)	ME831354	1.15	0.92	0.96	0.92
Ribose	ME831239	1.14	0.92	1.03	0.86
"N3-fumaramoyl-L-2,3-diaminopropanoate"	ME831667	1.15	0.96	0.98	0.86
2-oxopropane sulfonate	ME831730	1.12	0.94	1.01	0.88
Alpha-Linolenic acid	ME831410	1.13	0.96	1.00	0.86
Galactonic acid	ME831267	1.14	0.94	1.01	0.86
"3,4-Dihydroxybenzylamine"	ME831879	1.18	0.88	1.00	0.87
Inositol cyclic phosphate	ME831752	1.19	0.88	1.00	0.86
5-Methyldeoxycytidine diphosphate	ME831793	1.15	0.90	1.01	0.90
Ala/Arg/Arg/Tyr/Tyr	ME831585	1.16	0.88	1.00	0.90
Asp/Ile/Ile/Met/Trp	ME831620	1.16	0.87	1.01	0.90
PE(P-38:5)	ME831348	1.18	0.90	0.97	0.89
"2,3,5-Trihydroxytoluene"	ME831776	1.21	0.90	0.97	0.86
Cys/Ile/Arg/Trp/Trp	ME831602	1.18	0.93	0.97	0.85
xi-gamma-Undecalactone	ME831674	1.19	0.92	0.97	0.86
Glycerophosphoglycerol	ME831882	1.21	0.91	0.91	0.90
FA methyl(16:1)	ME831394	1.18	0.93	0.94	0.90
Sulfoacetaldehyde	ME831196	1.17	0.93	0.94	0.90
4-Coumaryl alcohol	ME831210	1.04	1.03	1.06	0.86
2-Octenedioic acid	ME831866	1.02	1.05	1.04	0.90
2-Keto-glutaramic acid	ME831199	1.02	1.05	1.05	0.87
Tetranor-PGF1alpha	ME831298	1.03	1.06	1.03	0.87
2-Hydroxyethanesulfonate	ME831184	0.98	1.05	1.07	0.91
4-Heptyloxyphenol	ME831737	1.00	1.02	1.07	0.90
Galacto-2-heptulose	ME831269	1.01	1.02	1.09	0.87
Glu/Glu/Glu/Phe/Pro	ME831591	0.99	0.95	1.14	0.92
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine	ME831696	0.98	1.01	1.14	0.88
3-Mercaptolactic acid	ME831182	0.99	0.99	1.13	0.90
3-Isopropenyl-6-oxoheptanoate	ME831213	1.01	0.97	1.07	0.94
Arachidic acid	ME831280	1.03	0.99	1.05	0.93
Arecoline	ME831740	1.03	0.99	1.10	0.88
Talbutal	ME831678	1.03	0.95	1.11	0.89
Ile/Lys/Lys/Ser/Val	ME831575	1.02	0.96	1.10	0.90
Inosine	ME831454	1.03	0.95	1.10	0.91
4-Hydroxyhexan-3-one	ME831863	0.98	0.96	1.09	0.98
LysoPG(18:1)	ME831368	0.98	0.97	1.08	0.98
2-chloro-2-iodoacetamide	ME831403	0.97	0.96	1.12	0.97
Pyrimidine 5^-deoxynucleotide	ME831702	0.97	0.94	1.11	0.98
hexafluorophosphate	ME831717	1.05	0.92	1.08	0.94
"(S,E)-Zearalenone"	ME831320	1.01	0.91	1.11	0.97
Uridine triphosphate	ME831444	1.11	0.92	1.12	0.81
"3,7-Dimethyl-8,11-dioxo-dodecatrienal"	ME831332	1.10	0.91	1.10	0.86
LysoPG(16:0)	ME831406	1.09	0.92	1.10	0.86
Asp/His/Met/Pro/Arg	ME831643	1.14	0.91	1.08	0.83
Asn/Ile/Ile/Ser	ME831623	1.12	0.91	1.08	0.85
Trigonelline	ME831436	1.12	0.90	1.10	0.84
Ala/Asp/Asp/Asn/Pro	ME831571	1.06	0.90	1.15	0.88
Ala/Cys/Thr/Thr/Thr	ME831544	1.08	0.88	1.13	0.89
LysoPG(18:2)	ME831351	1.09	0.89	1.12	0.87
2-Methylhexanoic acid	ME831379	1.07	0.82	1.14	0.95
Cys/Met/Gly/Pro	ME831482	1.08	0.85	1.13	0.91
Ile/Tyr	ME831580	1.07	0.85	1.15	0.91
Miraxanthin-III	ME831689	1.01	0.94	1.23	0.82
Asp/Arg/Ser/Ser/Tyr	ME831572	1.02	0.91	1.22	0.85
Asp/Glu/Lys/Thr/Thr	ME831547	1.03	0.91	1.19	0.86
PC(31:3)	ME831389	1.01	0.93	1.19	0.86
PI(16:1)	ME831301	1.08	0.84	1.23	0.83
"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol"	ME831676	1.09	0.88	1.20	0.80
Nitroethane	ME831828	1.09	0.88	1.18	0.82
2-oxobut-3-enanoate	ME831775	1.12	0.72	1.18	0.93
demethyl-phosphinothricin	ME831777	1.14	0.69	1.18	0.94
Genipin	ME831817	1.16	0.69	1.17	0.92
Linoleic acid	ME831285	1.09	0.78	1.07	1.02
"3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl}phenoxy)oxane-2-carboxylic acid"	ME831748	1.01	0.86	1.15	0.98
Diethyl oxalpropionate	ME831819	0.99	0.87	1.10	1.04
Asn/Cys/Ser	ME831639	1.00	0.86	1.12	1.02
Lactosylceramide (d18:1/12:0)	ME831421	1.00	0.87	1.11	1.02
PI(18:3)	ME831326	0.90	0.89	1.22	1.02
Xanthoxin	ME831215	0.96	0.85	1.23	0.97
Arg/Phe/Phe/His	ME831530	0.95	0.90	1.22	0.94
Phosphodimethylethanolamine	ME831422	0.95	0.90	1.25	0.91
Maleic acid homopolymer	ME831435	1.03	0.78	1.24	0.94
Dimethyl adipate	ME831822	1.03	0.81	1.28	0.86
Ketoleucine	ME831192	0.98	0.85	1.32	0.85
"3,7-Dimethyl-decadien-1,10-dioic acid"	ME831316	0.88	1.34	0.96	0.85
Glu/Phe/Asp/Asp	ME831487	0.95	1.26	0.98	0.82
DG(11D3/11M5/0:0)	ME831766	0.98	1.20	0.87	0.97
acetylglutathione	ME831701	1.04	1.25	0.82	0.88
N-23-dihydroxybenzoyl-L-serine	ME831657	0.99	1.28	0.76	0.95
Hydroxypyruvic acid	ME831189	0.95	1.40	0.60	1.06
Rugosal	ME831680	0.61	1.34	0.71	1.03
Hymenoflorin	ME831682	0.70	1.37	0.92	1.01
PG(40:10)	ME831388	0.88	1.39	0.82	0.96
6-formylpterin	ME831852	0.81	1.41	0.77	1.07
N-Hydroxy-L-tyrosine	ME831178	0.78	1.41	0.84	1.04
Phenethylamine glucuronide	ME831772	0.84	1.35	0.81	1.05
PI(38:4)	ME831359	0.82	1.34	0.86	1.04
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	ME831350	0.81	1.35	0.84	1.06
LysoPE(20:4)	ME831360	0.82	1.36	0.83	1.06
3-Phosphoglyceric acid	ME831222	0.88	1.15	0.69	1.31
Glucuronic acid	ME831232	0.88	1.23	0.75	1.18
Tricosanoic acid	ME831349	0.78	1.08	0.83	1.24
Chlorate	ME831858	0.81	1.18	0.83	1.24
Cer(d38:2)	ME831645	0.86	1.09	0.86	1.24
Cys/His/Asn/Ser/Ser	ME831578	0.88	1.14	0.79	1.23
mandeloylglutathione	ME831791	0.86	1.13	0.81	1.24
Inosinic acid	ME831460	1.05	1.13	0.67	1.13
Sulfate	ME831458	1.07	1.11	0.71	1.09
6-Phosphogluconic acid	ME831218	1.02	1.13	0.76	1.07
PS(40:6)	ME831401	0.96	1.17	0.76	1.11
PI(36:2)	ME831399	0.97	1.09	0.74	1.21
1-(sn-Glycero-3-phospho)-myo-inositol	ME831808	1.01	1.02	0.77	1.19
N-Palmitoylsphingosine	ME831648	1.04	0.96	0.76	1.23
Cys/Ile/Ile/Lys/Trp	ME831549	0.75	1.25	1.00	1.08
5-Aminolevulinic acid	ME831195	0.78	1.22	1.02	1.05
Uridine diphosphate glucuronic acid	ME831219	0.80	1.23	0.98	1.06
Ala/Glu/Glu/Gln/Gln	ME831606	0.82	1.22	1.01	1.01
Docosahexaenoic acid	ME831279	0.82	1.25	0.95	1.05
Pyruvate oxime	ME831800	0.85	1.23	0.95	1.03
Asn/Met/Cys/Gly	ME831551	0.83	1.03	1.02	1.18
Cys/Asp/Asp/Gly/Pro	ME831562	0.84	1.02	1.05	1.15
Galactose	ME831259	0.84	1.07	0.97	1.17
Asp/Met/Phe/Phe	ME831630	0.79	1.08	1.00	1.20
Plaunol D	ME831833	0.81	1.06	1.01	1.19
Ala/Cys/His/Ser/Trp	ME831586	0.85	1.13	0.99	1.08
"8,13-Abietadien-18-oic acid"	ME831398	0.88	1.12	0.99	1.05
Aspartate-semialdehyde	ME831194	0.87	1.11	1.00	1.07
1-Stearoylglycerophosphoserine	ME831376	0.84	1.12	0.97	1.12
Succinic acid	ME831265	0.86	1.11	0.97	1.11
"3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone"	ME831813	0.83	1.10	1.00	1.12
Uplandicine	ME831834	0.81	1.09	1.02	1.13
"5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone"	ME831823	0.81	1.15	1.01	1.10
Cys/Phe/Gly/Asn/Trp	ME831533	0.80	1.17	1.01	1.09
Eicosenoic acid	ME831375	0.80	1.14	1.07	1.06
Ala/Ile/Ile/Gln/Val	ME831540	0.83	1.13	1.06	1.04
Asp/Glu/Arg/Thr/Tyr	ME831566	0.84	1.12	1.04	1.06
"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid"	ME831865	0.91	1.04	1.01	1.07
"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3"	ME831343	0.90	1.05	1.01	1.07
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}	ME831811	0.90	1.05	1.02	1.07
Lynestrenol	ME831803	0.90	1.04	0.99	1.10
Acetoacetic acid	ME831382	0.91	1.06	0.98	1.09
PS(O-42:2)	ME831404	0.92	1.05	0.97	1.08
PS(P-42:1)	ME831405	0.93	1.05	0.97	1.08
Quinic acid	ME831197	0.88	1.04	0.98	1.13
Trifluoroacetic acid	ME831850	0.88	1.09	0.95	1.12
Adrenochrome	ME831877	0.89	1.07	0.96	1.11
nocardicin G	ME831838	0.90	1.05	0.96	1.11
Asn/Ser	ME831570	0.82	1.06	1.09	1.10
glycero-L-galacto-Octulose	ME831845	0.85	1.06	1.04	1.09
PS(O-36:2)	ME831334	0.84	1.07	1.04	1.10
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid	ME831825	0.87	1.05	1.04	1.09
Ala/Cys/Asp/Asn/Trp	ME831593	0.86	1.04	1.03	1.12
Drotaverine	ME831762	0.87	1.04	1.03	1.11
Flavaprin	ME831313	0.82	1.11	0.95	1.18
Ferruginol	ME831821	0.84	1.13	0.94	1.15
Mannitol	ME831264	0.83	1.13	0.95	1.15
2-Acetolactate	ME831250	0.82	1.16	0.91	1.17
Glutamic acid	ME831208	0.82	1.17	0.90	1.16
Asp/Gly/Tyr/Tyr/Tyr	ME831553	0.81	1.19	0.93	1.13
Cys/Cys/His/Gln/Gln	ME831631	0.84	1.16	0.92	1.13
threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside	ME831779	0.74	1.17	0.94	1.23
"Gossypetin 7,4^-dimethyl ether 8-acetate"	ME831323	0.76	1.11	0.95	1.25
Tetracosanoic acid	ME831274	0.75	1.10	0.99	1.24
Thymidine	ME831456	0.64	1.09	1.27	1.11
Tuberculostearic acid	ME831377	0.71	1.18	1.04	1.16
Phe/His/His/His/Pro	ME831597	0.66	1.22	1.13	1.10
PI(18:2)	ME831373	0.70	1.20	1.10	1.10
Ala/Gln/Tyr/Tyr/Tyr	ME831599	0.71	1.12	1.18	1.09
Ala/Asp/Phe/Ile/Arg	ME831615	0.76	1.12	1.11	1.08
Ala/Cys/Asp/Ser/Trp	ME831537	0.73	1.13	1.13	1.10
"3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid"	ME831782	0.73	1.06	1.10	1.20
Ala/Asp/Glu/Lys/Thr	ME831588	0.77	1.09	1.08	1.14
Asn/Arg/Thr/Thr/Tyr	ME831613	0.77	1.08	1.22	1.00
Arg/Ile/Ile/Phe	ME831619	0.81	1.03	1.18	1.04
Undecanedioic acid	ME831340	0.85	1.05	1.12	1.03
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine	ME831801	0.82	0.93	1.17	1.14
peroxysulfate	ME831724	0.83	0.98	1.16	1.09
sinapoyltyramine	ME831795	0.86	0.94	1.13	1.11
Ethylene brassylate	ME831675	0.94	0.96	1.05	1.06
FA (19:1)	ME831372	0.93	0.97	1.08	1.04
Thr/Ser/Ser	ME831582	0.94	0.93	1.10	1.06
trans-Aconitic acid	ME831225	0.96	0.93	1.10	1.02
Cys/Cys/Asp/Met/Thr	ME831621	0.88	0.97	1.17	1.03
PS(O-34:1)	ME831408	0.88	0.98	1.14	1.04
"(1R,3R,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid"	ME831810	0.90	0.98	1.12	1.04
PI(20:5)	ME831321	0.90	0.98	1.12	1.03
"2,3-Diaminosalicylic acid"	ME831736	0.95	0.99	1.08	0.99
Fluocinolone	ME831705	0.93	1.01	1.08	1.00
"2,3-Dihydroxycyclopentaneundecanoic acid"	ME831765	0.89	1.04	1.10	1.01
2-Hydroxydecanoate	ME831317	0.91	1.03	1.07	1.02
"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid"	ME831721	1.10	0.98	0.84	1.05
N-Acetyl-D-Glucosamine 6-Phosphate	ME831234	1.10	0.91	0.86	1.10
erythro-L-galacto-Nonulose	ME831719	1.03	1.05	0.82	1.09
p-aminobenzoyl glutamate	ME831876	1.03	1.10	0.87	0.99
cyclopentanehexanoic acid	ME831300	1.05	1.05	0.89	1.00
Cys/Met/Met/Phe	ME831548	1.05	1.06	0.88	1.00
Formylglutathione	ME831270	1.11	1.07	0.82	0.97
Fructose 6-phosphate	ME831249	1.09	1.05	0.80	1.03
Hydrogen phosphate	ME831271	0.98	0.98	1.04	1.00
Xylobiose	ME831718	0.99	0.97	1.05	0.99
hydroxy-3-(tetradecenoyloxy)-propanoic acid	ME831714	0.96	1.03	1.04	0.98
5beta-Cyprinolsulfate	ME831305	0.98	1.01	1.02	0.99
Apiole	ME831844	0.97	1.00	1.02	1.01
"2,3,6-Trihydroxypyridine"	ME831432	0.95	0.98	1.02	1.07
Brassicanal B	ME831780	0.95	1.00	1.03	1.04
Cys/Gly/Trp/Trp/Trp	ME831636	0.94	1.03	1.01	1.05
PE(P-36:4)	ME831344	0.96	1.01	1.00	1.03
"2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate"	ME831769	0.96	1.01	0.98	1.06
Diethyl tartrate	ME831723	0.97	1.00	0.98	1.05
14^-apo-beta-Carotenal	ME831797	0.95	1.07	0.97	1.03
Adrenic acid	ME831358	0.95	1.05	0.97	1.05
Euchrenone b3	ME831324	0.95	1.05	0.97	1.04
2-amino-2-deoxy-isochorismate	ME831831	0.96	1.04	0.97	1.04
"Gulono-1,4-lactone"	ME831261	0.96	1.04	0.98	1.03
erucamide	ME831773	1.01	1.02	0.97	1.00
glucosylglycerate	ME831802	1.00	1.03	0.97	1.00
Ala/Ser/Ser/Ser/Thr	ME831561	0.98	1.02	0.97	1.04
UDP-glucose	ME831253	0.99	1.02	0.97	1.02
Malonic semialdehyde	ME831256	0.99	1.03	0.98	1.01
monic acid	ME831760	0.98	1.03	0.98	1.02
"2,7-Anhydro-alpha-N-acetylneuraminic acid"	ME831872	0.96	1.05	1.00	1.00
Secobarbital	ME831871	0.97	1.06	0.99	0.99
3-Ethylmalate	ME831246	0.98	1.04	1.00	0.98
3-Propylmalate	ME831236	0.99	1.02	1.00	0.99
2-Hydroxymyristic acid	ME831311	1.02	1.07	0.95	0.95
PC(31:1)	ME831287	1.04	1.04	0.94	0.96
PE(36:5)	ME831374	1.02	1.05	0.99	0.93
LysoPE(18:2)	ME831331	1.00	1.06	0.98	0.96
His/Arg/Arg/Val/Trp	ME831609	1.01	1.03	0.98	0.97
N-Acetyl-S-(N-methylcarbamoyl)cysteine	ME831785	1.01	1.03	0.99	0.96
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	ME831695	1.02	1.00	1.00	0.98
trans-Dodec-2-enoic acid	ME831273	1.03	0.98	1.00	0.98
Pyrophosphate	ME831268	1.01	0.99	1.00	0.99
Rishitin	ME831862	1.02	0.98	1.00	0.99
2-Hydroxystearic acid	ME831278	1.06	0.99	0.99	0.95
2-Hydroxyhexadecanoic acid	ME831362	1.04	1.02	0.99	0.94
Glycine	ME831200	1.03	1.01	0.99	0.96
Albomaculine	ME831840	1.05	0.95	0.97	1.02
4-Octylphenol	ME831792	1.05	0.97	0.97	0.98
Gentisyl alcohol	ME831751	1.07	0.96	0.97	0.99
Cys/Asn/Gln/Arg/Arg	ME831635	1.04	1.01	0.96	0.98
LacCer(d32:1)	ME831413	1.04	1.01	0.94	0.99
"2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid"	ME831854	1.05	0.99	0.94	1.01
PE(30:4)	ME831361	1.07	0.97	0.93	1.00
2-Dehydro-3-deoxy-D-glucarate	ME831245	1.09	0.94	0.92	1.02
DG(11D3/11M3/0:0)	ME831839	1.04	0.90	0.99	1.06
"1,2-dibutyrin"	ME831709	1.06	0.92	0.96	1.04
2-amino-4-methylphenol	ME831743	1.04	0.93	0.95	1.06
13-cis-Retinal	ME831437	1.01	0.96	0.94	1.09
Cer(d36:1)	ME831345	0.98	0.97	0.94	1.11
nicotinic acid N-oxide	ME831787	1.01	0.96	0.97	1.06
3-Oxotetradecanoic acid	ME831314	1.02	0.99	0.96	1.03
Cer(d34:2)	ME831646	1.01	0.99	0.94	1.05
apo-14^-zeta-carotenal	ME831784	1.04	0.99	0.89	1.06
Cer(d33:1)	ME831356	1.03	1.00	0.89	1.07
N-Acetyl-D-glucosaminate	ME831836	0.97	1.05	0.93	1.06
PI(34:1)	ME831353	1.00	1.04	0.93	1.03
Reticuline	ME831211	1.01	1.02	0.92	1.04
Asp/Glu/Lys/Lys/Lys	ME831541	0.92	1.07	1.07	0.96
Proacacipetalin	ME831818	0.92	1.10	1.08	0.92
1-Oleylglycerol	ME831729	0.93	1.15	1.05	0.90
cis-(homo)3aconitate	ME831434	0.94	1.09	1.00	0.99
9-Oxo-nonanoic acid	ME831400	0.95	1.11	1.00	0.95
Ala/Cys/Asp/Glu/Pro	ME831581	0.95	1.11	1.02	0.94
PE(P-36:3)	ME831328	0.95	1.10	1.04	0.93
Tyrosine	ME831204	0.93	1.12	1.05	0.93
Fumarycarnitine	ME831771	0.91	1.12	1.04	0.96
Glycerol tripropanoate	ME831699	0.90	1.13	1.03	0.97
Ala/Met/Gln/Ser	ME831529	0.92	1.15	1.01	0.94
Anisatin	ME831725	0.91	1.15	0.99	0.98
"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene"	ME831692	0.86	1.14	1.06	0.94
Azelaic acid	ME831846	0.86	1.11	1.11	0.96
Docosapentaenoic acid (22n-3)	ME831409	0.87	1.15	1.03	1.00
TG(49:6)	ME831302	0.88	1.09	1.04	1.03
Cer(d41:2)	ME831365	1.01	1.09	0.91	0.99
Melatonin glucuronide	ME831703	0.98	1.12	0.92	0.99
Sarcinic acid	ME831412	0.94	1.16	0.95	0.98
"11,14,17-Eicosatrienoic acid"	ME831402	0.96	1.13	0.96	0.97
FA dioxo(10:0)	ME831355	0.95	1.13	0.96	0.98
Fructose	ME831263	0.98	1.09	0.98	0.96
Myristic acid	ME831281	0.99	1.12	0.95	0.94
N-Acetylglutamic acid	ME831206	0.96	1.09	0.91	1.06
Vitamin A	ME831439	0.95	1.09	0.92	1.06
2-Aceto-2-hydroxybutanoic acid	ME831190	0.93	1.12	0.92	1.05
PS(P-34:0)	ME831378	0.95	1.11	0.93	1.03
Xylose	ME831231	0.96	1.10	0.93	1.03
Ethyladipic acid	ME831820	0.94	1.08	0.90	1.10
Phe/Lys/Met/Arg/Arg	ME831589	0.91	1.11	0.93	1.08
Arabinonate	ME831244	0.89	1.18	0.95	1.01
Deoxyribose	ME831227	0.91	1.16	0.94	1.02
Methyl jasmonate	ME831342	0.93	1.12	0.97	1.00
Oxamate	ME831832	0.90	1.14	0.95	1.04
4-toluenecarboxylate-adenylate	ME831670	0.91	1.12	0.97	1.02
Phyllospadine	ME831842	0.91	1.13	0.96	1.03
5-methyl-tetradecanedioic acid	ME831303	0.85	1.19	0.96	1.04
Arachidonic acid	ME831283	0.85	1.18	0.98	1.04
Ala/Phe/Met/Pro/Arg	ME831557	0.88	1.15	0.93	1.08
Galactinoldihydrate	ME831744	0.87	1.19	0.93	1.06
Xanthosine	ME831451	0.37	1.61	0.59	1.64
Norepinephrine sulfate	ME831875	0.45	1.63	0.73	1.37
"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid"	ME831688	0.45	1.40	0.49	1.48
N-Gluconyl ethanolamine phosphate	ME831861	0.59	1.44	0.55	1.54
Glycerol 3-phosphate	ME831424	0.57	1.46	0.66	1.44
"3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid"	ME831778	0.50	1.48	0.67	1.53
Glu/Met/Ser	ME831627	0.51	1.49	0.69	1.47
PS(18:3)	ME831352	0.44	1.31	1.06	1.37
Behenic acid	ME831277	0.45	1.43	1.00	1.29
Stearic acid	ME831286	0.51	1.35	1.00	1.31
Thymidine 5^-triphosphate	ME831447	0.33	1.48	0.88	1.31
1-Oleoylglycerophosphoserine	ME831419	0.31	1.42	1.04	1.46
LysoPS(20:4)	ME831383	0.32	1.48	0.93	1.50
LysoPS(20:5)	ME831347	0.39	1.45	0.90	1.48
Cys/Met/Gln/Pro	ME831632	0.66	1.31	0.78	1.37
Glucosamine 6-phosphate	ME831241	0.65	1.25	0.82	1.39
LysoPS(16:0)	ME831318	0.57	1.18	1.18	1.21
"N,N-Dimethylsphingosine"	ME831364	0.58	1.24	1.06	1.26
N-Oleoylethanolamine	ME831275	0.62	1.19	1.06	1.24
Phe/Pro/Pro/Thr/Trp	ME831612	0.60	1.19	1.05	1.29
Ala/Cys/Cys/Met/Met	ME831611	0.77	1.29	0.88	1.14
Nervonic acid	ME831308	0.69	1.34	0.86	1.22
Asp/Glu/Phe/Phe/Trp	ME831637	0.64	1.21	0.92	1.36
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine	ME831798	0.69	1.21	0.91	1.29
Heptadecanoic acid	ME831284	0.69	1.19	0.97	1.25
Palmitoylethanolamide	ME831276	0.67	1.22	0.96	1.26
unstable precolibactin intermediate	ME831758	0.61	1.37	1.00	1.14
Ala/Ala/Cys	ME831534	0.65	1.31	1.00	1.16
FA (23:1)	ME831339	0.65	1.27	1.01	1.18
1-Arachidonoylglycerophosphoinositol	ME831387	0.65	1.27	0.94	1.25
LysoPI(20:3)	ME831337	0.68	1.27	0.96	1.20
PHHdiA-PE	ME831755	0.74	1.35	0.45	0.92
N2-Succinyl-L-glutamic acid 5-semialdehyde	ME831173	0.55	2.00	0.56	1.05
"1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone"	ME831799	0.60	1.56	0.95	1.02
nocardicin E	ME831742	0.63	1.54	0.73	1.22
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate"	ME831431	0.61	1.50	0.88	1.14
Hymenoxon	ME831741	0.64	1.58	0.80	1.10
PHODiA-PE	ME831788	0.65	1.68	0.62	1.17
Leucodopachrome	ME831174	0.67	1.84	0.67	0.94
Pyruvaldehyde	ME831191	0.74	1.68	0.68	0.98
Asp/Ile/Arg/Thr/Tyr	ME831501	1.62	0.32	1.53	0.32
Asp/Phe/Phe/Met/Tyr	ME831594	1.29	0.33	1.17	0.59
Cys/Ser/His	ME831526	1.24	0.60	1.44	0.64
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	ME831691	1.68	0.48	1.22	0.40
Ala/Glu/Ala/Glu	ME831528	1.67	0.44	1.18	0.48
Ala/Thr/Val/Ser	ME831506	1.62	0.47	1.24	0.46
Asp/Glu/Ile/Lys/Pro	ME831610	1.61	0.49	1.18	0.52
Bile salt	ME831847	1.64	0.50	1.13	0.52
Orotic acid	ME831449	1.63	0.48	1.13	0.55
Ala/Cys/Asp/Met/Met	ME831617	1.68	0.47	1.10	0.52
"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate"	ME831716	1.67	0.52	1.13	0.45
Ala/Gly/Tyr	ME831640	1.67	0.51	1.12	0.48
Asn/Gly	ME831577	1.56	0.52	1.15	0.58
"2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]sulfanyl}-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl)-C-hydroxycarbonimidoyl]butanoic acid"	ME831673	1.62	0.52	1.07	0.59
"3a,7a-Dihydroxycholanoic acid"	ME831306	1.59	0.56	1.09	0.56
Dihydroclavaminic acid	ME831209	1.54	0.53	1.34	0.41
N-Formimino-L-glutamate	ME831175	1.43	0.53	1.23	0.67
N-(butyryl)-L-homoserine	ME831774	1.44	0.58	1.32	0.52
Ala/Val/Asp/Asp	ME831633	1.48	0.53	1.29	0.54
methyl-5^-thioinosine	ME831735	1.49	0.55	1.24	0.55
Asp/Tyr	ME831522	1.50	0.56	1.13	0.45
Glutamic gamma-semialdehyde	ME831180	1.51	0.60	1.20	0.53
Ala/Val/Asp/Ser	ME831595	1.54	0.58	1.17	0.54
Cys/Asp/Gly/Pro/Ser	ME831495	1.52	0.58	1.18	0.54
Glu/Asp/Phe	ME831490	1.55	0.79	1.02	0.46
Ala/Ile/Met/Asn/Arg	ME831500	1.37	0.70	1.25	0.56
PG(34:3)	ME831367	1.46	0.78	1.11	0.51
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine"	ME831870	1.41	0.71	1.11	0.63
Oleoyl-CoA	ME831294	1.39	0.74	1.12	0.62
4-O-beta-D-glucosyl-indol-3-yl formamide	ME831804	1.45	0.69	1.13	0.59
alpha-glutamyl-L-hydroxyproline	ME831710	1.46	0.66	1.17	0.57
Erythronic acid	ME831254	1.46	0.67	1.15	0.56
PG(34:2)	ME831416	1.63	0.45	0.94	0.77
Chlorotrianisene	ME831660	1.82	0.48	0.96	0.48
Glu/Thr	ME831642	1.83	0.46	0.95	0.49
Arg/Asn/Asp/Cys	ME831510	1.79	0.50	1.01	0.44
Sedoheptulose 7-phosphate(2-)	ME831240	1.77	0.51	0.99	0.46
Ponatinib	ME831662	1.77	0.52	0.90	0.56
Ala/Asp/Gly	ME831499	1.73	0.51	0.96	0.56
Glu/Ala/Ser	ME831638	1.74	0.46	0.99	0.56
nicotinamide guanine dinucleotide	ME831671	1.64	0.66	0.93	0.56
Uridine	ME831452	1.70	0.65	0.88	0.54
PG(35:2)	ME831395	1.67	0.57	0.92	0.62
PG(35:3)	ME831357	1.62	0.62	0.92	0.63
PG(33:1)	ME831391	1.61	0.57	1.01	0.60
N-(4-oxoglutaryl)-L-cysteinylglycine	ME831878	1.66	0.61	0.96	0.54
Asn/Asp	ME831498	1.64	0.59	0.97	0.60
Asp/Leu	ME831603	1.65	0.60	0.97	0.57
Asp/Gly	ME831545	1.63	0.60	1.10	0.46
Glu/Asp/Pro	ME831508	1.68	0.52	1.02	0.55
"a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside"	ME831693	1.67	0.57	1.01	0.53
NAD stem group	ME831661	1.65	0.61	1.02	0.50
Cys/Cys/Met/Met/Met	ME831462	1.66	0.51	0.77	0.52
PG(35:1)	ME831390	1.93	0.48	0.81	0.48
Ala/Glu/Glu/Tyr	ME831517	1.81	0.58	0.84	0.50
Sulforhodamine B	ME831679	1.81	0.62	0.75	0.55
Asp/Asp/Gly/His/Trp	ME831484	1.48	0.64	0.81	0.36
Glu/Ala/Gly	ME831535	1.45	0.81	0.85	0.74
LysoPA(18:1)	ME831304	1.46	0.82	0.79	0.77
PA(38:6)	ME831309	1.44	0.83	0.77	0.81
PG(33:2)	ME831335	1.44	0.69	0.93	0.79
PG(37:5)	ME831338	1.43	0.72	0.92	0.78
cis-Aconitic acid	ME831233	1.36	0.77	0.86	0.88
"Glyceric acid 1,3-biphosphate"	ME831220	1.43	0.74	0.88	0.81
Cer(d40:1)	ME831341	1.39	0.76	0.90	0.83
Muricatenol	ME831728	1.40	0.78	0.90	0.79
N-Acetylasparagine	ME831687	1.37	0.84	0.88	0.79
1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol	ME831770	1.40	0.82	0.85	0.80
trans-Tetra-dec-2-enoic acid	ME831329	1.43	0.79	0.86	0.79
Ala/Cys/Cys/Asn/Tyr	ME831558	1.54	0.67	1.04	0.58
Lys/Arg/Arg/Arg/Arg	ME831644	1.54	0.63	0.94	0.70
Hymexazol O-glucoside	ME831665	1.54	0.69	0.92	0.67
Formylpyruvate	ME831814	1.49	0.73	0.94	0.67
Phosphoserine	ME831170	1.52	0.72	0.93	0.65
CDP-Ethanolamine	ME831418	1.47	0.75	0.91	0.71
"cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)"	ME831711	1.49	0.69	0.96	0.70
1-thio-beta-D-glucose	ME831867	1.45	0.73	0.96	0.71
Asp/Phe/Cys/Gly	ME831546	1.46	0.73	0.97	0.69
Glu/Val/Val	ME831592	1.44	0.68	1.06	0.68
Clavulanate	ME831212	1.48	0.70	1.00	0.67
Ser/Ser/Ser/Thr/Thr	ME831492	1.50	0.68	1.01	0.64
2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate	ME831442	1.42	0.63	0.73	0.53
Reduced coenzyme F420	ME831426	1.54	0.63	0.66	0.62
1-Deoxy-D-altro-heptulose 7-phosphate	ME831794	1.64	0.67	0.78	0.70
PA(32:1)	ME831327	1.68	0.71	0.73	0.66
PA(33:1)	ME831307	1.72	0.66	0.72	0.67
CDP-N-dimethylethanolamine	ME831291	1.60	0.83	0.76	0.62
Malic acid	ME831251	1.52	0.77	0.86	0.68
Acetylphosphate	ME831176	1.58	0.72	0.74	0.76
P-DPD	ME831857	1.53	0.76	0.78	0.75
Ala/Leu/Asn/Gly	ME831483	1.92	0.06	0.71	0.07
Asp/Lys/Met/Gln/Thr	ME831512	2.25	0.07	1.18	0.08
Val/Thr	ME831616	2.29	0.16	0.95	0.16
Asp/Leu/Ser	ME831590	2.28	0.13	1.05	0.11
Cys/Gln/Gln/Arg/Arg	ME831491	2.34	0.10	1.04	0.08
Thr/Ala/Pro	ME831464	2.20	0.12	0.84	0.16
Asp/Gly/Asn/Asn/Trp	ME831509	2.15	0.32	0.83	0.33
Asp/Thr/Ser/Ser	ME831560	2.17	0.27	0.90	0.26
Lys/Gly	ME831559	2.19	0.27	0.89	0.25
"2-C-methyl-D-erythritol-2,4-cyclodiphosphate"	ME831806	2.13	0.31	0.89	0.30
Ala/Gly	ME831488	2.10	0.30	0.93	0.30
"(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propoxy)sulfonic acid"	ME831666	2.14	0.16	1.13	0.18
glycyl-L-hydroxyproline	ME831579	2.15	0.20	1.06	0.20
Ala/Ala/Asp/Tyr	ME831605	2.14	0.26	0.99	0.23
Ala/Ser	ME831573	2.17	0.22	1.02	0.21
Ureidoisobutyric acid	ME831445	2.17	0.23	0.98	0.22
Asp/Glu/Ile/Gln/Gln	ME831485	1.74	0.14	1.16	0.14
Imidazoleacetic acid ribotide	ME831177	1.74	0.29	0.96	0.29
Asp/Glu/Glu/Thr	ME831634	2.03	0.28	1.08	0.27
Glu/Leu	ME831608	2.03	0.30	1.04	0.28
Asp/Asp/Asn/Asn/Asn	ME831486	1.95	0.38	1.05	0.31
Narceine	ME831658	1.97	0.36	1.05	0.29
Phe/Asp	ME831568	1.97	0.36	0.99	0.35
Thr/Thr	ME831574	1.96	0.36	0.98	0.38
Val/Ser	ME831587	1.94	0.37	0.99	0.39
"3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enimidic acid"	ME831659	2.02	0.30	1.00	0.34
Fucose 1-phosphate	ME831221	2.00	0.31	0.97	0.39
Ala/Leu/Asp/Gly	ME831489	1.87	0.33	1.19	0.31
Cys/Asp/Phe/His/Arg	ME831532	1.93	0.34	1.10	0.32
Thr/Ser	ME831625	1.88	0.36	1.13	0.34
Hydantoin-5-propionic acid	ME831171	1.79	0.45	1.06	0.44
Trp/Pro/Tyr	ME831503	1.79	0.42	1.06	0.47
Thr/Asn	ME831598	1.79	0.41	1.14	0.40
Gly/Ser	ME831504	1.82	0.42	1.09	0.40
Ile/Ala/Ser	ME831525	1.84	0.40	1.10	0.38
Ala/Cys/Asp/His/Arg	ME831502	1.82	0.37	1.08	0.45
Ile/Asp/Gly	ME831507	1.83	0.39	1.08	0.42
Asp/Pro/Ser	ME831622	1.87	0.40	1.08	0.36
Cholic acid	ME831417	1.88	0.39	1.08	0.35
Ala/Glu/Ile/Thr	ME831518	1.89	0.39	1.05	0.38
formyl-isoglutamine	ME831169	1.87	0.42	1.04	0.38
deoxypumiloside	ME831757	1.84	0.46	1.01	0.41
Asp/Ser	ME831496	1.87	0.40	1.00	0.44
Pyruvic acid	ME831243	1.90	0.41	1.00	0.40
Uridine 5^-monophosphate	ME831457	2.54	0.19	0.56	0.20
"3,5-Di-O-galloyl-1,4-galactarolactone"	ME831745	2.29	0.39	0.41	0.48
Thr/Asp	ME831519	2.12	0.41	0.67	0.43
"4,5-Dihydroorotic acid"	ME831446	2.31	0.30	0.59	0.35
Ala/Cys/Cys/Asp/His	ME831494	2.25	0.30	0.74	0.29
Cys/Cys/Cys/Gly/Ser	ME831601	1.73	0.74	0.46	0.83
4-Methoxyglucobrassicin	ME831663	1.88	0.31	0.61	0.45
LysoPA(16:0)	ME831290	1.90	0.56	0.52	0.71
4^-Phosphopantothenate	ME831441	1.99	0.53	0.65	0.50
Oxoglutaric acid	ME831258	1.95	0.60	0.58	0.57
"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde"	ME831685	1.35	NA	0.63	0.71
nhatrangin B	ME831652	1.72	0.29	0.28	NA
Ascorbate	ME831216	1.42	0.59	0.37	NA
Glyceraldehyde 3-phosphate	ME831217	1.33	0.55	0.13	NA
5^-dehydrouridine	ME831649	1.22	NA	0.13	NA
Ureidosuccinic acid	ME831443	1.24	NA	0.04	NA
Ala/Cys/Glu/Met/Met	ME831463	1.42	NA	0.89	0.31
Asn/Leu/Ser/Tyr	ME831465	1.37	0.16	0.78	NA
Asp/Ile/Ile/Thr/Thr	ME831480	1.36	0.30	0.75	NA
Ala/Cys/Asp/Lys/Ser	ME831477	1.14	NA	0.81	NA
Cys/His/Pro/Arg/Thr	ME831474	1.16	NA	0.79	NA
cysteine-adenylate	ME831651	1.16	NA	0.79	NA
Cys/Gly/Lys/Ser/Tyr	ME831478	1.31	NA	0.58	NA
Asn/Val/Ser/Ser	ME831467	1.29	NA	0.61	NA
Ile/Trp	ME831479	1.29	NA	0.61	NA
Thr/Thr/Ala	ME831475	1.26	NA	0.65	NA
Candimine	ME831655	1.26	NA	0.66	NA
Glu/Lys/Met/Met/Pro	ME831468	1.26	NA	0.66	NA
6^^-O-Malonylwistin	ME831288	1.22	NA	0.71	NA
Ala/Lys/Asp/Pro	ME831473	1.23	NA	0.69	NA
"3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone"	ME831653	1.32	NA	0.36	NA
Met/Val	ME831476	1.31	NA	0.39	NA
Asp/Asp/Glu/Glu/Pro	ME831466	1.33	NA	0.55	NA
Ala/Ile/Arg/Thr/Tyr	ME831472	1.35	NA	0.53	NA
Leu/Ala/Ala	ME831481	1.34	NA	0.54	NA
3-Amino-2-piperidone	ME831650	1.34	NA	0.54	NA
Ala/Asp/Glu/Lys/Tyr	ME831469	1.34	NA	0.54	NA
3-Methylbutyl glucosinolate	ME831654	1.38	NA	0.49	NA
Glu/Ala/Ile	ME831470	1.38	NA	0.50	NA
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-2-methoxy-1-(7-methyl-2-oxo-2H-chromen-6-yl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	ME831656	1.40	NA	0.47	NA
Ala/Lys/Ser/Ser/Trp	ME831471	1.39	NA	0.48	NA

Factors:

F1	Treatment:DMSO
F2	Treatment:KAE609_20x_IC50
F3	Treatment:KAE609_5x_IC50
F4	Treatment:WJM992

Data matrix