Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003565)

(Analysis AN005857)

Metabolite	Structure	F1	F2	F3	F4
Mercaptoethanol	ME928335	1.36	0.35	0.34	1.83
Hexaethylene glycol	ME928448	1.04	0.41	2.06	0.48
Ile/Gly/Met	ME927837	1.48	0.45	0.32	NA
6-O-Methylarmillaridin	ME928234	1.23	NA	0.08	NA
Cys/Cys/Cys/Asp/Gly	ME927892	1.25	NA	0.01	NA
Thr/Pro/Glu/Glu	ME927862	1.47	NA	0.37	NA
Asp/Pro/Val/Asn	ME927874	1.48	NA	0.36	NA
Ile/Pro/Ser	ME927891	1.48	NA	0.36	NA
Ala/Lys/Asn/Arg/Ser	ME927854	1.39	NA	0.22	NA
Glu/Ile/Gln/Gln	ME927869	1.41	NA	0.19	NA
Glu/Ile/Ile/Gln/Trp	ME927894	1.30	NA	0.39	NA
Met/Met/Met/Pro	ME927868	1.33	NA	0.34	NA
Ala/Asn/Ser/Tyr/Tyr	ME927861	1.34	NA	0.31	NA
Arg/Trp/Gln/Arg	ME927848	1.34	NA	0.32	NA
Phe/Thr/Pro	ME927850	1.62	0.13	0.46	NA
Arg/Tyr	ME927895	1.46	0.18	0.65	NA
His/Phe	ME927847	1.52	0.25	0.56	NA
Glu/Glu/Phe/Phe/Arg	ME927882	1.44	NA	0.70	0.14
Ala/Asp/Met/Pro/Val	ME927860	1.49	NA	0.78	0.36
Ala/Lys/Gln/Thr/Tyr	ME927843	1.29	NA	0.83	0.33
Pro/Glu/Asn/Phe	ME927873	1.35	NA	0.80	0.23
Ala/Cys/His/Lys/Ser	ME927846	1.34	0.19	0.82	NA
Lys/Asp/Pro	ME927858	1.12	NA	0.84	NA
Lys/Trp/Val/Gly	ME927866	1.12	NA	0.52	NA
His/His/Lys/Met/Val	ME927900	1.39	NA	0.48	NA
Cys/Phe/Pro/Arg/Arg	ME927901	1.37	NA	0.50	NA
Trp/Gly	ME927893	1.38	NA	0.50	NA
Glu/Ala/Gln/Pro	ME927855	1.35	NA	0.53	NA
Gln/Gln/Gln/Gln	ME927897	1.34	NA	0.55	NA
Gln/Gly/Pro/Pro	ME927870	1.34	NA	0.55	NA
Ile/Phe/Thr/Pro	ME927859	1.32	NA	0.57	NA
Lys/Gly	ME927878	1.32	NA	0.57	NA
Glu/Glu/Glu/Lys/Trp	ME927880	1.31	NA	0.59	NA
Ile/Met/Ser/Thr/Tyr	ME927876	1.30	NA	0.61	NA
Glu/Glu/Met/Ser	ME927875	1.30	NA	0.60	NA
Val/Leu/Gly/Ala	ME927896	1.30	NA	0.60	NA
Ala/Glu/Asn/Ile	ME927872	1.26	NA	0.65	NA
Asn/Leu/Thr/Pro	ME927879	1.27	NA	0.64	NA
Ala/Cys/His/His/Lys	ME927883	1.27	NA	0.63	NA
Ala/Asp/Gln/Pro	ME927881	1.28	NA	0.63	NA
Glu/His	ME927899	1.28	NA	0.63	NA
Val/Asp/Asp	ME927851	1.22	NA	0.70	NA
Ala/Asp/Pro/His	ME927871	1.23	NA	0.69	NA
Ala/Lys/Ala/Gln	ME927857	1.23	NA	0.70	NA
His/Ile/Met/Met/Thr	ME927877	1.24	NA	0.68	NA
Pro/Glu/Asn	ME927865	1.25	NA	0.66	NA
Asn/Asn/Ser/Tyr	ME927885	1.25	NA	0.67	NA
Asp/Phe/Phe/Pro/Pro	ME927898	1.25	NA	0.67	NA
Glu/Gln	ME927889	1.16	NA	0.79	NA
Asn/Glu/Ile/Ser	ME927852	1.18	NA	0.76	NA
Glu/Glu/Gln/Ile	ME927867	1.19	NA	0.75	NA
Lys/Gly/His	ME927890	1.21	NA	0.72	NA
Ala/Ala/Glu/Ile/Gln	ME927844	1.20	NA	0.74	NA
Val/Pro/His	ME927856	1.20	NA	0.73	NA
Guanosine monophosphate	ME927816	1.74	NA	0.52	0.23
Tyr/His	ME927942	1.92	0.09	0.68	0.10
Ala/Lys/Ala/Ala	ME927919	1.91	0.13	0.97	0.11
Ala/Arg/Val/Tyr/Tyr	ME928038	1.77	0.19	0.80	0.17
Vindoline	ME927656	1.87	0.26	0.83	0.23
Ala/Met/Thr/Ser	ME928163	1.96	0.21	1.29	0.20
Ala/Trp/Pro/Pro	ME927914	2.03	0.29	1.14	0.21
Val/Gly/Pro	ME927946	2.05	0.21	1.17	0.22
Asn/Leu/Met/Ser	ME927927	2.11	0.19	1.15	0.19
Pro/Asn	ME928202	2.09	0.17	1.19	0.17
Ala/Leu/Met/Ser/Thr	ME927932	2.20	0.07	1.27	0.06
Glu/Pro/Glu	ME927913	2.15	0.19	1.10	0.17
Pro/Glu	ME928209	2.19	0.17	1.07	0.17
Pro/His	ME928029	2.21	0.16	1.08	0.15
Ile/Met/Ser/Tyr	ME927905	2.18	0.14	1.15	0.14
Pro/Thr	ME928218	2.16	0.12	1.21	0.12
Ala/Pro	ME928221	2.27	0.09	1.12	0.09
Thr/Pro/Thr	ME927963	2.22	0.09	1.13	0.16
Pro/Ala/Glu	ME927853	2.19	0.13	0.89	0.10
Gly/Pro/Pro	ME928059	2.18	0.22	0.99	0.21
LysoPI(13:0)	ME927699	2.21	0.24	0.97	0.17
Asn/Leu/Gly/Pro	ME927922	2.25	0.16	1.00	0.17
Phe/Asn	ME928154	2.21	0.18	1.02	0.19
Asp/His/Ser/Ser/Ser	ME928039	2.26	0.19	0.95	0.18
Gly/Leu	ME928076	2.30	0.16	0.96	0.16
Lys/His	ME927988	2.24	0.24	0.85	0.25
Ala/Asp/Phe/Pro/Trp	ME927916	2.28	0.18	0.90	0.21
Ile/Asn	ME927994	2.32	0.19	0.85	0.19
Ala/His	ME928103	2.32	0.18	0.88	0.18
Val/Val	ME928109	2.30	0.18	0.89	0.19
Pro/Trp/Thr	ME927931	2.50	0.08	0.86	0.06
Phe/Gly	ME928068	2.38	0.11	0.96	0.10
Leu/Leu/Pro/Ser	ME928125	2.41	0.06	1.00	0.06
Ile/Ala	ME928181	2.41	0.08	0.96	0.08
Pro/Trp	ME928102	2.41	0.08	0.97	0.07
Pro/Ala/Asp	ME927849	2.38	0.13	0.90	0.14
Leu/His	ME928056	2.43	0.09	0.91	0.10
platensimycin	ME928328	2.42	0.12	0.89	0.10
Pro/Val/Asn	ME927940	2.42	0.12	0.87	0.11
Ala/Val/Gly/Pro	ME928113	2.35	0.04	1.11	0.04
Pro/Val/Asn/Phe	ME928199	2.31	0.05	1.16	0.04
Asn/Gly/Pro/Pro	ME928064	2.36	0.08	1.04	0.07
Ala/Met/Met/Pro	ME928082	2.31	0.10	1.04	0.10
His/Val/Asp/Asp	ME927937	2.32	0.09	1.05	0.11
Val/Lys	ME928086	2.32	0.12	1.00	0.12
Lys/Pro	ME928144	2.32	0.12	1.03	0.10
Pro/Asp	ME928224	2.30	0.13	1.02	0.11
Pro/Pro/Val/Gln	ME928062	2.61	0.03	0.79	0.03
Adenosine monophosphate	ME927833	2.50	0.19	0.61	0.20
Val/Pro/Pro	ME927929	2.55	0.12	0.69	0.13
Cys/Lys/Pro/Pro	ME927924	2.10	0.35	0.63	0.34
Ala/Glu/Lys/Pro/Pro	ME927925	2.25	0.20	0.60	0.27
Val/Pro	ME928187	2.40	0.33	0.52	0.28
Cys/Phe/His/His/Asn	ME928019	1.39	0.43	1.31	0.23
Cys/Lys/Arg/Thr/Trp	ME927888	1.32	0.35	0.99	0.42
Glu/Pro/Val	ME927842	1.22	0.40	1.10	0.43
Ala/Leu/Asp/Pro	ME927835	1.12	0.75	1.09	NA
Asp/His/His/Lys/Met	ME927863	1.28	0.60	0.76	NA
Phe/Gly/Arg/Arg/Trp	ME927840	1.34	0.52	0.70	NA
Asp/His/His/Gln/Ser	ME927836	1.25	0.45	1.03	NA
Gly/Pro/Arg	ME927864	1.20	0.51	0.89	NA
2-(N-Methyl-perfluorooctane sulfanamido) acetic acid	ME928238	1.61	0.72	0.47	0.72
Mayolene-20	ME928295	1.65	0.81	0.70	0.62
Polyoxyethylene dioleate	ME928283	1.66	0.68	0.77	0.50
Ala/Leu/Gly/Pro	ME927845	1.65	0.34	0.60	0.25
Ala/Pro/Pro	ME927887	1.59	0.25	0.71	0.27
Glu/Glu/Pro/Pro	ME927908	1.49	0.42	0.89	0.49
Met/Met/Thr	ME927886	1.53	0.37	0.66	0.53
Cohibin A	ME928272	1.63	0.45	0.72	0.41
Leu/Pro/Ser	ME927839	1.69	0.43	0.82	0.48
Ala/Cys/Cys/Cys/Asn	ME928110	1.92	0.47	0.86	0.45
Val/His	ME928147	1.95	0.48	0.80	0.46
Pro/Ala/Glu/Phe	ME928005	1.98	0.42	0.92	0.34
Thr/Val	ME928104	2.05	0.40	0.78	0.42
ADP	ME927672	1.97	0.40	0.85	0.45
Deoxycytidine	ME927826	1.99	0.39	0.90	0.40
Ala/Asn/Pro/Pro	ME927961	2.02	0.39	0.86	0.39
Thr/Lys	ME927933	2.02	0.38	0.83	0.43
Ala/Asp/Lys/Val/Tyr	ME928027	2.16	0.38	0.81	0.26
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid	ME928244	2.08	0.36	0.89	0.32
Pipecolic acid	ME927643	2.08	0.35	0.92	0.28
Piperidine	ME928378	2.12	0.28	0.98	0.24
Mimosine	ME928259	2.08	0.26	0.98	0.32
Val/Gly	ME927999	2.09	0.28	0.96	0.30
Homo-L-arginine	ME927592	1.85	0.37	1.12	0.37
O-methylandrocymbine	ME927657	1.85	0.39	1.11	0.37
Leu/Asn/Gly	ME927986	1.83	0.38	1.17	0.34
His/Ile/Met/Met/Trp	ME927907	1.80	0.36	1.19	0.39
Ala/Asp/Gly/Arg	ME928142	1.81	0.38	1.15	0.39
Thr/Gly	ME927949	1.80	0.40	1.15	0.38
Leu/Gly/Pro	ME927838	1.77	0.33	1.31	0.34
Deoxyadenosine monophosphate	ME927829	1.74	0.40	1.25	0.36
quinocarcin	ME928242	1.72	0.43	1.24	0.37
Asn/Val/Asp/Gln	ME927921	1.87	0.30	0.98	0.34
Lysine	ME927630	1.99	0.36	0.97	0.36
Pro/Tyr	ME928053	1.96	0.36	0.98	0.38
Ala/Val/Ser/Ser	ME928036	1.92	0.39	1.04	0.35
Ethyl carbamate	ME928313	1.94	0.34	1.03	0.37
Thr/Thr/Thr	ME928045	1.96	0.37	1.01	0.35
Ile/Thr	ME928112	1.89	0.46	1.00	0.35
Phe/Ala	ME928122	1.90	0.46	0.98	0.37
3-nitro-2-butanol	ME928264	1.86	0.39	1.04	0.42
Pro/Val/Gln/Ala	ME928197	1.86	0.39	1.06	0.40
Phe/Pro/His	ME927993	1.90	0.39	1.02	0.39
Val/Val/Tyr/Pro	ME928137	1.87	0.41	1.02	0.40
Phe/Gly/His	ME927915	1.94	0.25	1.02	0.23
Pro/Pro/Ser	ME927981	1.93	0.31	1.16	0.28
Glu/Glu/Lys/Pro	ME927977	1.92	0.35	1.12	0.30
Leu/Pro	ME928192	1.93	0.34	1.12	0.30
Ala/Ala/Glu/Trp/Trp	ME928097	1.97	0.29	1.09	0.34
Ala/Leu/Cys/Gln	ME927978	2.02	0.31	1.04	0.29
Asn/Glu/Ile/Tyr	ME927903	1.71	0.37	0.89	0.37
Glu/Glu/Glu/Ile/Met	ME927911	1.72	0.39	0.90	0.26
Ile/Gly/Val	ME928022	1.70	0.24	1.01	0.34
Pro/Asn/Ala	ME927841	1.61	0.31	1.13	0.27
Leu/Met/Thr/Ser	ME928024	1.70	0.41	1.10	0.57
Phe/Thr	ME928093	1.66	0.46	1.07	0.58
Glu/Ile/Pro/Pro	ME928087	1.63	0.45	1.25	0.46
Thr/Thr/Thr/Thr	ME928070	1.68	0.43	1.20	0.47
Ala/Leu/Val/Ser	ME927935	1.60	0.50	1.20	0.50
Ala/Ala/Phe/His/Arg	ME928025	1.63	0.53	1.15	0.48
"Ne,Ne dimethyllysine"	ME928280	1.64	0.49	1.14	0.51
Thiamine monophosphate	ME927808	1.71	0.48	1.09	0.48
Cys/Asp/Lys/Met/Asn	ME928023	1.68	0.49	1.09	0.51
Ser/His	ME927969	1.68	0.51	1.10	0.48
Ala/Leu/Ala/Ser	ME928002	1.71	0.48	1.14	0.43
Val/Leu	ME928176	1.70	0.45	1.13	0.48
Pro/Ser	ME928141	1.57	0.53	1.11	0.60
Cyclic AMP	ME927821	1.56	0.56	1.13	0.57
His/Lys/Trp/Ser	ME928065	1.53	0.58	1.15	0.56
"3,4-dichloro-tridecanoic acid"	ME927720	1.55	0.65	1.13	0.49
Ala/Cys/Lys/Ser/Thr	ME928012	1.52	0.63	1.12	0.56
Asp/Asp/Ile/Lys/Pro	ME928100	1.53	0.61	1.16	0.52
Gamma-Glutamyl-Se-methylselenocysteine	ME927589	1.64	0.49	1.02	0.64
Ile/Gly/Pro	ME927954	1.57	0.56	1.06	0.62
Phenylethylmalonamide	ME928282	1.58	0.57	1.06	0.60
Asp/Pro/Pro	ME927939	1.61	0.54	1.02	0.63
"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole"	ME928263	1.61	0.56	1.01	0.61
Ala/Gln/Gln/Ser	ME927928	1.61	0.51	1.02	0.50
Ala/Ala/His	ME928203	1.61	0.53	1.09	0.56
Lys/Tyr	ME928091	1.62	0.55	1.10	0.53
manumycin B	ME928246	1.63	0.52	1.11	0.53
Leu/Ser/Tyr	ME928136	1.62	0.57	1.04	0.57
Pro/Pro/Pro	ME928017	1.64	0.55	1.04	0.56
5-Methoxytryptophan	ME928314	1.65	0.56	1.06	0.52
Thr/His	ME927943	1.63	0.60	1.06	0.50
Asn/Met/Gln/Ser	ME928080	1.70	0.53	0.90	0.64
Ile/Arg	ME927980	1.67	0.56	0.94	0.61
2-nitro-1-propanol	ME928245	1.72	0.61	0.94	0.50
Glu/Lys	ME928177	1.70	0.56	0.95	0.56
Ala/Gln	ME927974	1.72	0.55	0.92	0.57
Histidine	ME927616	1.72	0.57	0.93	0.55
4-Acetamido-2-aminobutanoic acid	ME927600	1.72	0.54	0.98	0.52
O-Succinylhomoserine	ME927595	1.68	0.55	0.98	0.55
Dieporeticenin	ME928311	1.65	0.62	0.89	0.64
2-Amino-3-(1-pyrazolyl)propanoic acid	ME928369	1.62	0.62	0.94	0.61
Ile/Lys	ME928020	1.62	0.63	0.93	0.60
Cohibin C	ME928428	1.58	0.68	0.93	0.60
Ala/Leu/Asp/Ser	ME928051	1.53	0.69	0.97	0.62
"alpha-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate"	ME928249	1.56	0.67	0.96	0.62
2-methyladenine ribotide phosphate	ME928340	1.53	0.62	1.04	0.63
Ala/Ala/Glu/Arg/Tyr	ME927962	1.55	0.66	1.02	0.58
TG(50:3)	ME927719	1.77	0.56	0.88	0.53
Thiamine pyrophosphate	ME927670	1.81	0.50	0.90	0.52
Catalposide	ME928325	1.87	0.49	0.81	0.53
Ile/Pro/Pro	ME928001	1.87	0.50	0.78	0.49
Adenosine	ME927827	1.81	0.54	0.82	0.56
Citicoline	ME927790	1.84	0.54	0.83	0.51
Asn/His	ME927985	1.84	0.41	0.95	0.51
Ala/Tyr	ME927973	1.82	0.53	0.96	0.42
Asp/Asp/Gln/Pro	ME927906	1.75	0.48	1.00	0.52
Brunfelsamidine	ME928257	1.75	0.49	1.04	0.47
Ala/Ala/Thr	ME927968	1.75	0.53	1.01	0.47
Thr/Gln	ME927957	1.73	0.51	1.01	0.50
Arg/Asp/Gly/Ser	ME928123	1.76	0.45	1.07	0.47
Cys/Thr/Thr/Thr	ME927938	1.79	0.44	1.11	0.40
Carglumic acid	ME927587	1.78	0.47	1.07	0.42
Lys/Pro/Pro	ME927990	1.82	0.45	1.04	0.42
Cys/His/His/Lys/Tyr	ME928049	1.51	0.76	1.09	0.46
3-(Cystein-S-yl)acetaminophen	ME928377	1.43	0.59	1.31	0.52
Asp/Ile/Lys/Lys/Ser	ME927930	1.45	0.65	1.27	0.48
His/His/His/Lys/Gln	ME928004	1.52	0.49	1.30	0.53
Gly/Pro	ME928149	1.54	0.55	1.21	0.53
PHODiA-PG	ME928292	1.54	0.55	1.24	0.49
"2,3-Butanediol glucoside"	ME928354	1.26	1.31	0.58	0.60
Coproporphyrin I	ME927803	1.30	1.08	0.97	0.55
Tetradecene	ME927746	1.07	1.29	1.00	0.63
Ala/Arg	ME927918	1.32	0.87	0.79	0.90
Ile/Ala/Gly	ME927951	1.28	0.61	0.78	0.93
Lys/Met/Met/Val/Tyr	ME927953	1.54	0.71	0.86	0.71
Senecionine	ME927661	1.55	0.69	0.86	0.72
formylaminopyrimidine	ME928336	1.45	0.73	0.90	0.76
Ile/His/Ser	ME928018	1.48	0.71	0.87	0.77
Pantothenic acid	ME927809	1.48	0.72	0.90	0.75
Val/Asp	ME928186	1.49	0.72	0.88	0.74
Citrulline	ME927620	1.43	0.82	0.80	0.80
Cytidine	ME927823	1.42	0.77	0.90	0.77
2-{[hydroxy(5-hydroxy-1H-indol-3-yl)methylidene]amino}acetic acid	ME928338	1.40	0.77	0.87	0.83
Epinephrine	ME927599	1.42	0.75	0.88	0.81
Ala/Glu	ME927948	1.43	0.55	0.99	0.59
Ala/Asp/Ser	ME927960	1.41	0.79	1.03	0.63
Ala/Pro/Pro/Ser	ME928015	1.39	0.79	1.06	0.62
Ala/Glu/Lys/Lys/Trp	ME928083	1.41	0.76	1.02	0.67
Ala/Thr/Val/Val	ME927996	1.40	0.75	1.00	0.70
"16-bromo-hexadecadien-5,13-diynoic acid"	ME927709	1.45	0.73	1.01	0.66
Ala/Val/Asp/Pro	ME928009	1.41	0.73	1.06	0.67
Balenine	ME928299	1.43	0.74	1.05	0.65
Cytidine monophosphate	ME927828	1.48	0.73	0.93	0.69
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME927753	1.47	0.73	0.97	0.67
Glu/Met/Phe	ME928150	1.48	0.74	0.95	0.67
Ile/Met/Thr/Ser	ME928067	1.51	0.72	1.02	0.59
Montecristin	ME928401	1.49	0.75	0.98	0.62
Hydroxyprolyl-Proline	ME928285	1.43	0.69	0.97	0.77
Val/Arg	ME928058	1.40	0.69	1.00	0.78
Val/Gly/Ala	ME928124	1.40	0.69	1.01	0.77
Ala/Ile/Ala/Ile	ME927956	1.46	0.69	0.96	0.75
PE(33:1)	ME927757	1.48	0.69	0.95	0.73
Ile/Ser/Val	ME928126	1.43	0.71	0.99	0.73
5^-Dehydroadenosine	ME928267	1.44	0.67	1.01	0.73
Ala/Lys/Val/Gly	ME928118	1.46	0.68	0.99	0.72
Leu/Asp	ME928173	1.48	0.66	1.01	0.68
Pyridoxine 5^-phosphate	ME927805	1.46	0.68	1.02	0.69
Thr/Pro/Pro	ME927979	1.48	0.68	1.06	0.62
Iminoglycine	ME927802	1.50	0.67	1.03	0.64
Val/Glu	ME928162	1.48	0.67	1.04	0.66
Ala/Leu/Gly/Ser	ME928138	1.42	0.65	1.08	0.72
Pro/Gly/Ala	ME928158	1.41	0.67	1.07	0.72
Gln/Leu/Thr/Gln	ME928171	1.44	0.65	1.09	0.67
Leu/Gly/His	ME928033	1.46	0.62	1.07	0.69
1-dimethylarsinoyl-decane	ME928236	1.49	0.50	1.00	0.85
Ala/Trp/Pro/Tyr	ME928075	1.47	0.60	1.02	0.75
Ala/Thr/Ala/Gln	ME928078	1.52	0.58	1.03	0.69
Asn/Leu/Lys/Trp	ME927910	1.53	0.57	0.99	0.73
"3,4,5-trihydroxy-6-({17-hydroxy-11,18-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0,.0,.0,]icosa-1(12),2(9),4,10,14,16,18-heptaen-15-yl}oxy)oxane-2-carboxylic acid"	ME928252	1.26	0.67	1.14	0.85
Asn/Glu/Ile/Val	ME927926	1.34	0.58	1.06	0.90
PE(37:3)	ME927781	1.33	0.57	1.15	0.84
Tryptophan	ME927624	1.28	0.76	1.20	0.66
16-dimethylarsinoyl-hexadecenoic acid	ME928261	1.28	0.78	1.15	0.70
Ala/Leu/Ala/Gln	ME927989	1.26	0.80	1.16	0.69
Asp/Val/Pro/Ser	ME928228	1.28	0.78	1.11	0.75
Ala/Thr/Ala/Pro	ME928008	1.28	0.75	1.14	0.73
Ala/Ala/Glu/Ile/Pro	ME928223	1.26	0.76	1.15	0.74
Ala/Thr/Trp/Arg	ME928035	1.27	0.77	1.15	0.72
Cys/His/Lys/Asn/Pro	ME927964	1.27	0.78	1.14	0.73
Met/Thr/Thr/Thr/Thr	ME928127	1.25	0.72	1.21	0.72
Ala/Ala/Asn/Ser	ME928046	1.23	0.79	1.21	0.70
Phe/Gly/His/Lys/Arg	ME928178	1.24	0.77	1.18	0.74
Ala/Ala/Gly/His	ME928167	1.36	0.62	1.16	0.73
Gln/Trp/Pro/Tyr	ME928069	1.34	0.64	1.11	0.79
Ala/Val/Asn/Pro	ME928106	1.37	0.73	1.03	0.75
PC(32:2)	ME927771	1.38	0.71	1.07	0.71
Ala/Val/Ala/Asn	ME927970	1.31	0.69	1.18	0.72
N-Desalkyl flurazepam	ME928255	1.31	0.70	1.17	0.72
Acetylhomoserine	ME927617	1.36	0.69	1.14	0.68
Pro/Gly/Gly/Pro	ME928050	1.35	0.68	1.14	0.71
Adenosylhomocysteine	ME927641	1.32	0.72	1.14	0.71
Ala/Lys/Val/Pro	ME928094	1.35	0.71	1.12	0.71
gamma-glutamyl-L-alaninol	ME928239	1.32	0.76	1.09	0.73
His/Leu/Lys/Pro	ME928077	1.34	0.75	1.09	0.69
Cys/Gly/His/Asn/Arg	ME928010	1.34	0.69	1.11	0.75
His/Val/Asp	ME927945	1.32	0.72	1.08	0.77
"6,7-Dimethyl-8-(1-D-ribityl)lumazine"	ME927814	1.31	0.73	1.13	0.73
Deoxyadenosine	ME927820	1.30	0.73	1.12	0.75
Ala/Pro/Ser/Ser	ME928111	1.32	0.73	1.10	0.75
PC(32:3)	ME927674	1.32	0.71	1.11	0.74
Ala/Ala/Asn/Gln	ME928034	1.47	0.60	1.15	0.62
Ala/Phe/Ala/Ala	ME928216	1.49	0.61	1.13	0.61
AK toxin I	ME928293	1.43	0.61	1.17	0.66
"1,2-Dihydroxy-3-keto-5-methylthiopentene"	ME927604	1.45	0.60	1.14	0.66
Asp/Glu/Leu/Met/Trp	ME927998	1.43	0.60	1.15	0.68
pentetate	ME928315	1.43	0.62	1.13	0.68
Glu/Gly	ME927902	1.34	0.70	1.12	0.62
benzalkonium	ME928429	1.45	0.73	1.11	0.56
Ala/Asp/Cys	ME928153	1.44	0.69	1.14	0.59
Ala/Phe/His/Pro/Arg	ME928188	1.40	0.69	1.15	0.62
Glutathione	ME927652	1.43	0.66	1.14	0.63
magnesium-protoporphyrin IX 13-monomethyl ester	ME928281	1.32	0.73	1.30	0.54
Tyr/Tyr	ME928169	1.38	0.63	1.29	0.58
Arg-OEt	ME928441	1.42	0.62	1.22	0.60
Ala/Asp/Ile/Pro/Thr	ME928146	1.37	0.68	1.21	0.62
Trp/Val	ME927944	1.40	0.66	1.21	0.60
5^-Methylthioadenosine	ME927644	1.30	0.64	1.32	0.65
N(6)-Methyllysine	ME927598	1.29	0.70	1.25	0.67
20-hydroxy-prefusarin	ME928237	1.33	0.66	1.22	0.67
Ile/His/Val	ME928220	1.34	0.68	1.19	0.68
Ala/Leu/Asp/Asp	ME928090	1.18	0.79	0.94	1.03
N-D-Glucosylarylamine	ME928367	1.19	0.76	0.97	1.01
6-Acetamido-3-aminohexanoate	ME928362	1.18	0.62	1.08	1.06
Lys/Asn	ME927904	1.17	0.71	1.08	0.88
5^-methylthioformycin	ME928343	1.15	0.73	1.13	0.94
Ala/Thr/Ala/Ser	ME927950	1.14	0.74	1.09	0.97
Phenylalanine	ME927636	1.24	0.89	1.07	0.72
Trp/Gly/Ser	ME927947	1.25	0.93	1.06	0.67
pentaethylene glycol	ME928450	1.18	1.04	1.07	0.66
Cys/Cys/His/His/Trp	ME928152	1.18	0.99	1.05	0.72
Isopentyl beta-D-glucoside	ME928397	1.21	1.01	1.01	0.70
TG(56:8)	ME927712	1.23	0.98	1.00	0.71
Cys/Ser/Ser/Tyr/Tyr	ME928032	1.32	0.95	0.87	0.75
Ala/Ala	ME928164	1.19	1.01	0.93	0.80
N-(hexacosenoyl)-sphinganine-1-phosphocholine	ME927727	1.23	1.00	0.89	0.80
PS(36:1)	ME927761	1.24	0.98	0.91	0.79
Ala/Asp/Phe/Pro/Arg	ME928092	1.20	0.94	1.03	0.77
Asn/Glu/Asp/Ile	ME927967	1.25	0.91	0.99	0.76
Myxochelin A	ME928115	1.25	0.93	0.97	0.76
4-Guanidinobutanamide	ME927586	1.21	0.92	0.98	0.81
Ethyl beta-D-glucopyranoside	ME928346	1.21	0.96	0.95	0.80
Arginine	ME927649	1.32	0.78	0.99	0.80
Nalpha-(3-hydroxy-3-methylhexanoyl)-L-glutamine	ME928291	1.31	0.80	1.02	0.77
Glu/Cys/Thr	ME928089	1.33	0.77	1.01	0.78
"6-[5-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"	ME928298	1.33	0.75	1.03	0.78
Asn/Gly/Pro	ME928043	1.32	0.77	1.03	0.78
Ala/Ala/Asp	ME928060	1.35	0.79	1.00	0.75
Ala/Ala/Ile/Pro/Gln	ME928101	1.35	0.77	1.04	0.72
Aloesol 7-glucoside	ME928398	1.27	0.82	1.10	0.72
Asp/Phe/Gly/Gly	ME928148	1.30	0.78	1.06	0.76
LysoPC(14:0)	ME927702	1.31	0.81	1.06	0.73
TG(54:6)	ME927737	1.37	0.87	0.98	0.66
PE(36:1)	ME927779	1.35	0.88	0.96	0.69
TG(54:5)	ME927749	1.34	0.90	0.95	0.69
His/His/His/Lys/Tyr	ME927983	1.37	0.81	1.00	0.70
CDP	ME927818	1.33	0.84	0.99	0.73
Proline	ME927653	1.33	0.83	1.02	0.71
FAD	ME927800	1.38	0.84	0.91	0.75
Majusculoic acid	ME927704	1.36	0.84	0.92	0.77
O-Phosphoethanolamine	ME927622	1.40	0.80	0.94	0.72
Lys/Ser	ME928037	1.41	0.76	0.96	0.74
PS(36:0)	ME927725	1.39	0.77	0.98	0.73
Leu/Ser	ME928006	1.38	0.77	0.95	0.77
PE(35:1)	ME927788	1.37	0.75	0.98	0.77
Glu/Glu/Gln/Leu	ME927992	1.27	0.86	1.00	0.79
Cys/Asp/Asp/Met/Arg	ME927955	1.26	0.82	0.99	0.84
Threonine	ME927638	1.25	0.87	0.97	0.83
PC(35:2)	ME927731	1.24	0.85	0.97	0.86
alpha-NADP+	ME928383	1.23	0.85	0.99	0.85
Asp/Asn/Asn/Asn/Ser	ME927975	1.23	0.86	1.00	0.84
Asp/Gln/Arg/Val/Trp	ME927997	1.26	0.82	1.04	0.80
Asp/Thr/Pro/Pro	ME927972	1.27	0.82	1.03	0.79
1-Methylhistidine	ME927611	1.27	0.77	1.04	0.83
Glu/Lys/Lys/Gln/Tyr	ME928074	1.28	0.79	1.02	0.82
Licoricone	ME927705	1.29	0.79	1.02	0.80
5^-deoxyuridine	ME928330	1.25	0.78	1.02	0.87
"N6,N6,N6-Trimethyl-L-lysine"	ME927650	1.24	0.80	1.02	0.86
piperidine-3-carboxylate	ME928435	1.23	0.80	1.02	0.87
Thr/Ala/Ser	ME928179	1.24	0.81	1.04	0.84
Asn/Asn	ME928026	1.22	0.83	1.04	0.83
Glu/Ile/Gln/Thr	ME928211	1.22	0.83	1.05	0.82
Fenugreekine	ME928451	1.22	0.81	1.05	0.84
4-Guanidinobutanoic acid	ME927594	1.21	0.82	1.06	0.84
Isonicotineamide	ME928446	1.21	0.82	1.06	0.84
Ala/Asp/Met/Thr/Thr	ME928200	1.22	0.80	1.09	0.82
Nicotinamide hypoxanthine dinucleotide	ME928434	1.18	0.82	1.09	0.84
Cys/Cys/Asp/Lys/Gln	ME928222	1.19	0.80	1.13	0.82
Lys/Thr/Ser/Tyr	ME928180	1.19	0.83	1.11	0.81
Asp/Leu/Pro/Ser	ME927984	1.21	0.82	1.12	0.78
Asp/Phe/Trp/Val	ME928055	1.23	0.81	1.13	0.76
5-Aminopentanoic acid	ME927648	1.20	0.87	1.08	0.79
Ala/Glu/Met/Pro/Thr	ME927965	1.21	0.86	1.09	0.78
"2-{[(4-methoxybenzyl)(methyl)amino]methyl}-2-methylpropane-1,3-diol"	ME928247	1.23	0.84	1.08	0.77
Ala/Asp/Asp/Ile/Ile	ME928072	1.23	0.83	1.08	0.79
Ala/Leu/Ser/Ser	ME928116	1.23	0.82	1.09	0.79
Asp/Asp/His/Asn/Asn	ME927966	1.19	0.76	1.14	0.85
Met/Phe/Asp	ME927952	1.22	0.73	1.14	0.84
Ile/Gly/His	ME928161	1.27	0.74	1.08	0.83
Ile/Gly/Phe	ME927941	1.27	0.74	1.08	0.82
Trp/Gln	ME928040	1.25	0.75	1.12	0.79
Asn/Lys/Gly/Gly	ME928117	1.24	0.78	1.11	0.80
Asp/Ile/Ile/Asn/Pro	ME928143	1.24	0.77	1.11	0.80
1-Caffeoyl-4-deoxyquinic acid	ME928407	1.32	0.82	0.96	0.79
N6-Acetyl-L-lysine	ME927612	1.32	0.82	0.98	0.78
"dTDP-3,4-dioxo-2,6-dideoxy-D-glucose"	ME928290	1.28	0.81	0.95	0.87
POV-PG	ME928358	1.30	0.83	0.95	0.83
"threo-2-Amino-3,4-dihydroxybutanoic acid"	ME927799	1.30	0.83	0.94	0.83
Cytosine	ME927824	1.30	0.76	0.94	0.89
Nalpha-Methylhistidine	ME928256	1.29	0.75	0.98	0.88
2-Oxoarginine	ME927601	1.33	0.76	0.95	0.84
PC(32:1)	ME927693	1.37	0.76	0.91	0.84
Ala/Asp/Ile/Gln/Val	ME928003	1.24	0.82	0.89	0.96
PC(29:1)	ME927755	1.24	0.88	0.93	0.87
Termitomycesphin A	ME927778	1.27	0.86	0.91	0.88
N-a-Acetyl-L-arginine	ME928312	1.25	0.79	0.96	0.92
Ala/Asp/Gln/Gln	ME928007	1.23	0.81	0.97	0.91
Guanosine diphosphate	ME927817	1.23	0.80	0.99	0.90
diamide	ME928271	1.21	0.88	0.95	0.90
"3-(3,4-Dihydroxyphenyl)lactic acid"	ME927591	1.20	0.85	0.98	0.90
Cys/Asp/Gly/His/Pro	ME927987	1.20	0.85	0.97	0.92
Oxidized glutathione	ME927619	1.04	1.09	0.69	1.16
PE(39:1)	ME927794	1.10	1.05	0.68	1.14
Cys/Cys/Asp/Gly/Ser	ME927936	1.08	0.94	0.74	1.21
penem CGP31608	ME928305	1.03	1.01	0.78	1.17
Allopurinol	ME928414	1.05	1.20	0.64	1.10
PC(33:3)	ME927777	1.12	1.14	0.51	1.20
Cys/Asp/Glu/Phe/Tyr	ME928212	0.81	0.95	0.92	1.37
Glycerophosphocholine	ME927797	0.71	1.03	1.32	1.03
PC(13:0)	ME927730	0.72	1.17	1.19	1.02
5^-methoxy-6^-chloroarmillane	ME928427	0.72	1.06	1.23	1.08
CMP-2-aminoethylphosphonate	ME927626	0.72	1.11	1.21	1.06
dCMP	ME927832	0.74	1.09	1.17	1.08
N-acetyl-O-acetylneuraminate	ME928389	0.72	0.99	1.18	1.21
PA-PI	ME928415	0.67	0.99	1.21	1.24
Cys/Cys/Asp/Pro/Trp	ME928205	0.78	0.97	1.07	1.25
phenyl sulfoxide	ME928270	0.81	1.03	1.05	1.17
1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosane	ME927740	0.87	1.02	0.93	1.23
Asp/Phe/Lys/Gln/Tyr	ME928214	0.90	1.07	0.88	1.19
3-Deoxyvitamin D3	ME927729	0.87	1.10	0.86	1.21
Cys/Gly/Arg/Arg/Tyr	ME928213	0.85	1.07	0.88	1.24
Trp/Cys/Gly	ME928041	0.85	1.08	0.87	1.25
Acrimarine N	ME928307	0.81	1.15	0.91	1.19
Mesuol	ME927711	0.84	1.10	0.92	1.18
N-Hexadecanoylpyrrolidine	ME928326	0.84	1.11	0.96	1.15
PC(33:4)	ME927758	0.84	1.10	0.95	1.16
Hexylamine	ME928344	0.86	1.12	0.94	1.12
Asn/Asn/Asp/Gly	ME928159	0.83	1.17	0.94	1.13
PE(41:4)	ME927786	0.83	1.15	0.94	1.14
PC(P-36:2)	ME928417	0.76	1.10	1.00	1.21
Cys/His/Lys/Tyr/Tyr	ME928131	0.76	1.13	1.04	1.16
LysoPC(P-16:0)	ME927763	0.78	1.14	1.05	1.11
Cys/Asp/Glu/His/Trp	ME928208	0.77	1.19	0.96	1.16
Pyridoxal	ME927811	0.77	1.15	1.00	1.17
Cys/Gly/Pro	ME928189	0.79	1.14	0.97	1.16
PC(O-16:0)	ME927744	0.79	1.15	0.98	1.14
PE(38:5)	ME927751	0.78	1.16	0.99	1.15
Asp/Asp/Asp/Arg/Tyr	ME928160	0.81	1.12	1.00	1.13
Pipericine	ME928294	0.79	1.11	1.01	1.16
Barbinine	ME928438	0.84	1.23	0.95	1.04
thiazolidine-4-carboxylate	ME928304	0.81	1.20	0.95	1.10
Leucine	ME927647	0.78	1.21	1.02	1.06
1-5-diazabicyclononane	ME927597	0.74	1.26	1.01	1.08
Palmitoylcarnitine	ME927723	0.73	1.23	1.00	1.12
Methionine	ME927632	0.70	1.35	0.89	1.16
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	ME927732	0.65	1.29	0.94	1.23
Cys/Asp/His/His/Thr	ME928011	0.68	1.29	0.96	1.18
Agaritinal	ME928405	0.79	1.36	0.84	1.07
Avenanthramide 2s	ME928361	0.75	1.42	0.87	1.04
Asp/Cys/Cys/Ser	ME927912	0.83	1.27	0.73	1.14
Fasoracetam	ME928360	0.78	1.26	0.83	1.20
gamma-Glutamylcysteine	ME927635	0.75	1.32	0.84	1.17
Val/Gly/His	ME928042	1.01	0.70	1.30	0.99
Ala/Met/Met/His	ME927884	1.09	0.76	1.10	0.60
Ethyl -3-hydroxybutyrate	ME928436	1.04	1.01	1.23	0.71
LysoPE(14:0)	ME927701	1.01	1.03	1.23	0.72
Centarol	ME928351	0.98	1.02	1.07	0.79
Asn/Thr/Asp/Gly	ME928155	1.04	1.10	1.09	0.76
Phe/Thr/Thr/Tyr	ME928013	1.03	1.04	1.13	0.79
Asp/Glu/Glu/Lys/Lys	ME928204	0.96	0.92	1.18	0.95
2-Hydroxycaproic acid	ME927733	0.97	0.89	1.21	0.95
9^-Carboxy-alpha-chromanol	ME928425	0.99	0.87	1.21	0.94
Cys/Asn/Pro/Arg/Ser	ME928145	1.05	0.86	1.14	0.94
LysoPE(O-18:0)	ME927713	1.05	0.87	1.14	0.91
2-Keto-6-acetamidocaproate	ME927590	1.05	0.86	1.11	0.97
"L,L-Cyclo(leucylprolyl)"	ME928262	1.01	0.88	1.13	0.98
PC(14:2)	ME927708	1.05	0.85	1.20	0.89
"{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium"	ME928300	1.10	0.81	1.15	0.90
Heterophyllin	ME927700	1.11	0.80	1.14	0.91
Glu/Phe/Lys/Gln/Val	ME928170	1.11	0.94	1.14	0.78
Asp/Lys/Lys/Pro/Tyr	ME928184	1.12	0.97	1.07	0.80
Cys/His/Lys/Pro/Gln	ME928016	1.09	0.97	1.10	0.81
dioctylamine	ME928420	1.07	0.98	1.12	0.82
Asp/Ile/Pro/Pro/Ser	ME928196	1.10	0.89	1.17	0.81
Imidazoleacetic acid	ME927593	1.07	0.91	1.17	0.83
Ala/Lys/Gln/Val/Tyr	ME928128	1.15	0.84	1.15	0.81
Cys/His/Ile/Gln/Gln	ME928217	1.13	0.88	1.13	0.81
His/Ile/Met/Pro/Arg	ME928133	1.14	0.79	1.22	0.79
Ala/Glu/Ile/Pro/Thr	ME928229	1.15	0.81	1.22	0.77
Thiomorpholine 3-carboxylate	ME928266	1.15	0.82	1.23	0.75
Asn/Pro/Arg/Thr/Trp	ME928114	1.19	0.78	1.18	0.79
Cys/Cys/Gly/His/Lys	ME928031	1.15	0.80	1.17	0.83
dADP	ME927822	1.13	0.80	1.19	0.83
Asp/Glu/Lys/Met/Thr	ME927976	1.08	0.77	1.28	0.85
Ala/Leu/Asn/Ser	ME928219	1.04	0.85	1.27	0.82
Thr/Trp/Cys	ME928135	1.09	0.84	1.22	0.81
Cys/Phe/Trp/Trp/Trp	ME927923	1.03	0.86	1.20	0.69
PE(33:0)	ME927676	1.14	0.91	1.18	0.72
(3-Arylcarbonyl)-alanine	ME928402	1.24	0.87	1.15	0.65
1(2H)-Isoquinolinone	ME928337	1.20	0.86	1.20	0.67
Methyl 2-diazoacetamidohexonate	ME928357	1.20	0.84	1.22	0.68
Cyclohex-2-enone	ME928250	1.08	1.31	0.77	0.81
Glu/Trp/Trp/Cys	ME928105	1.28	1.08	0.77	0.78
SM(d42:1)	ME927791	1.14	1.10	0.85	0.87
Galactose 1-phosphate	ME927665	1.10	1.13	0.85	0.89
SM(d41:1)	ME927750	1.08	1.13	0.86	0.90
Glu/Lys/Pro/Gln/Tyr	ME928151	0.81	1.20	1.20	0.86
"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside"	ME928302	0.80	1.07	1.22	0.97
N-(docosanoyl)-pentadecasphing-4-enine-1-phosphoethanolamine	ME928233	0.85	1.02	1.21	0.98
sn-glycero-3-Phosphoethanolamine	ME927710	0.87	0.98	1.21	0.98
LysoPE(16:0)	ME927736	0.88	0.98	1.24	0.94
Ala/His/Met/Arg/Thr	ME928107	0.86	1.04	1.22	0.93
DG(39:0)	ME927724	0.85	1.02	1.24	0.93
CTAB	ME928350	0.91	1.13	1.12	0.88
Ala/Ala/Pro/Arg/Tyr	ME928166	0.93	0.99	1.15	0.95
Asp/Glu/Glu/Glu/Ile	ME928096	0.97	0.97	1.14	0.94
nva-FMDP	ME928275	0.90	1.03	1.16	0.94
"3,4-dihydroxybenzoate-spermidine"	ME928254	0.94	1.03	1.10	0.95
LysoPE(18:1)	ME927766	0.92	1.03	1.11	0.96
PC(14:1)	ME927738	0.95	1.05	1.12	0.90
Ala/Asp/Ser/Ser/Trp	ME928120	0.95	1.02	1.12	0.93
Bis(2-ethylhexyl)phthalate	ME928416	0.93	1.03	1.14	0.92
O-(17-carboxyheptadecanoyl)carnitine	ME928241	0.87	1.09	1.11	0.97
Dopachrome	ME927613	0.86	1.07	1.10	1.02
Stearoylcarnitine	ME928406	0.85	1.09	1.07	1.03
Nebrosteroid M	ME927742	0.83	1.17	1.10	0.95
17-AAG	ME928318	0.88	1.16	1.03	0.97
Niacinamide	ME927815	0.86	1.17	1.05	0.97
Lys/Phe	ME927982	0.82	1.14	1.03	1.07
triethylene glycol	ME928440	0.80	1.17	1.08	1.02
Diethanolamine	ME927716	0.85	1.27	1.04	0.89
Tetraethylene glycol	ME928444	0.92	1.19	1.02	0.89
Butyric acid	ME927671	0.93	1.21	0.97	0.90
Thr/Cys	ME928139	0.93	1.22	0.96	0.92
Isoleucine	ME927642	1.04	1.06	1.02	0.86
2-Methylbutyroylcarnitine	ME928342	1.13	1.02	0.98	0.84
Val/Ala	ME928073	1.13	1.02	0.98	0.82
Isosophoranone	ME927703	1.09	1.02	1.02	0.85
Acetyl-CoA	ME927667	1.09	1.03	0.99	0.85
Biotin	ME927806	1.08	1.03	0.99	0.87
5-Hydroxy-N-formylkynurenine	ME927621	1.09	0.87	1.12	0.88
Ala/Ala/Ala/Asn	ME928052	1.14	0.87	1.07	0.87
Ala/Lys/Asn/Pro/Tyr	ME928165	1.15	0.87	1.09	0.85
Glu/Ser/Thr	ME928021	1.12	0.90	1.08	0.87
PC(33:1)	ME927687	1.13	0.91	1.05	0.86
Ile/Lys/Met/Met/Tyr	ME928057	1.18	0.83	1.07	0.95
Phosphinothricin	ME928253	1.14	0.83	1.06	0.92
Ala/Val/Val/Ser	ME928172	1.18	0.84	1.04	0.88
Val/Ser/Ser	ME928190	1.17	0.88	1.01	0.89
Caribine	ME928370	1.07	0.88	1.09	0.94
Pseudoconhydrine	ME928329	1.08	0.87	1.09	0.93
Gly/Ser/His	ME928063	1.08	0.90	1.06	0.93
Pro/Ala/Pro	ME928048	1.10	0.89	1.05	0.93
N-Acetyllactosamine	ME928409	1.06	0.93	1.06	0.94
Pyridoxine	ME927812	1.04	0.92	1.09	0.94
gamma-Glutamylleucine	ME928132	1.06	0.92	1.10	0.90
Tenuazonic acid	ME928334	1.09	0.93	1.07	0.89
Lenticin	ME928447	1.04	0.97	1.04	0.94
LysoPE(18:0)	ME927707	1.03	0.97	1.10	0.89
Kanzonol V	ME928284	1.07	0.98	1.05	0.87
Met/Thr/Asp	ME928044	1.06	0.96	1.07	0.89
PC(35:1)	ME927772	1.19	0.92	0.93	0.90
Sphinganine 1-phosphate	ME927706	1.17	0.92	0.95	0.90
Asparagine	ME927631	1.15	0.97	0.94	0.89
PE(36:2)	ME927689	1.15	0.94	0.95	0.91
3-O-alpha-L-Arabinopyranosylproanthocyanidin A5^	ME928301	1.14	0.94	1.04	0.84
Asp/Thr/Cys/Cys	ME927917	1.15	0.92	1.01	0.87
Enigmol	ME927743	1.17	0.94	0.99	0.85
Cys/Cys/Ile/Lys/Pro	ME928084	1.12	0.87	1.01	0.95
Lys/Val/Pro	ME928000	1.15	0.85	0.97	0.97
PC(30:0)	ME927683	1.08	0.98	1.00	0.91
N(alpha)-t-Butoxycarbonyl-L-leucine	ME928359	1.09	0.96	1.01	0.91
Ala/Glu/Lys/Lys/Tyr	ME928134	1.08	0.97	1.01	0.91
Biotin amide	ME928347	1.07	0.97	1.02	0.91
"erythro-(2R,3R)-dihydroxybutylamide"	ME928393	1.11	0.91	1.04	0.90
PC(36:5)	ME927684	1.11	0.93	1.01	0.91
Met/Ala/Gly	ME928129	1.11	0.93	1.03	0.89
PC(15:1)	ME927718	1.10	0.94	1.02	0.90
PE(32:1)	ME927734	1.14	0.91	0.97	0.93
PE(38:2)	ME927785	1.15	0.90	0.98	0.93
Folic acid	ME927798	1.10	0.96	0.98	0.92
PE(38:1)	ME927793	1.11	0.95	0.98	0.93
N-(1-Deoxy-1-fructosyl)leucine	ME928365	1.11	0.94	0.96	0.95
Inosyl-L-homocysteine	ME928366	1.10	0.93	0.99	0.95
PC(38:6)	ME927673	1.10	0.93	0.98	0.95
Ala/His/Ile/Ile/Gln	ME928198	1.11	0.93	0.99	0.93
PC(34:2)	ME927696	1.11	0.93	0.98	0.94
5-Nitro-2-(3-phenylpropylamino)benzoic acid	ME928431	1.12	0.92	0.97	0.95
Ala/Val/Gly/His	ME928119	1.12	0.91	0.99	0.95
Jasminine	ME928353	1.09	0.91	1.02	0.96
N-Acetylmannosamine	ME927669	1.08	0.93	1.03	0.94
PE(41:6)	ME927747	1.07	0.93	1.02	0.96
N4-Acetylaminobutanal	ME927628	1.06	0.98	0.98	0.97
PE(39:4)	ME927792	1.08	0.95	0.98	0.96
gamma-glutamyl-isopropylamide	ME928297	1.07	0.96	1.00	0.95
PC(34:1)	ME927694	1.07	0.96	0.99	0.96
Ala/Asn/Asp/Ser	ME928174	1.22	0.89	0.81	1.00
PE(37:2)	ME927796	1.15	0.97	0.82	1.01
PC(35:4)	ME927677	1.05	0.87	0.94	1.12
2-{[1-(R)-Carboxyethyl]amino}pentanoate	ME928316	1.04	0.97	0.90	1.07
Carbidopa	ME928278	1.05	0.95	0.87	1.12
SM(d44:2)	ME927748	1.04	0.96	0.88	1.10
Ala/Gln/Gln/Tyr	ME928081	1.16	0.88	0.91	1.00
2-O-methyl cyclic 3-deoxy-D-arabino-heptulosonate 7-phosphate	ME928235	1.12	0.84	0.92	1.02
PE(38:4)	ME927680	1.12	0.88	0.92	1.05
"(1,3-diphenylpropoxy)sulfonic acid"	ME928243	1.08	0.99	0.91	1.00
Alexine	ME928317	1.06	0.98	0.91	1.02
Glu/Pro/Pro	ME928185	1.15	0.96	0.87	0.97
PC(32:0)	ME927688	1.12	0.99	0.90	0.95
PE(19:0)	ME927722	1.11	0.97	0.89	0.99
PE(34:0)	ME927682	1.10	1.00	0.89	0.98
Glu/Met/Thr	ME928054	1.10	0.93	0.91	1.02
N-(1-Deoxy-1-fructosyl)proline	ME928287	1.10	0.91	0.96	0.99
Ophthalmic acid	ME928376	1.10	0.95	0.95	0.98
2-Nitropropane	ME928322	1.11	0.94	0.94	0.97
9-mercaptodethiobiotin	ME927804	1.11	0.94	0.94	0.98
PE(42:5)	ME927735	1.07	0.89	0.99	1.02
N-(3-oxooctanoyl)-L-homoserine	ME928323	1.05	0.94	0.98	1.02
"2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one"	ME928413	1.07	0.93	0.95	1.04
Asp/Leu/Lys/Lys	ME928195	1.05	0.95	0.95	1.03
Muramic acid	ME928392	1.05	1.04	0.85	1.04
acyl phosphatidylglycerol (n-C12:0)	ME928391	1.02	1.04	0.85	1.08
PC(31:2)	ME927768	1.01	1.05	0.82	1.11
SM(d40:1)	ME927782	1.06	1.08	0.86	0.98
Tritoqualine	ME928273	1.01	1.10	0.87	1.03
PC(P-32:0)	ME928403	0.93	1.15	0.94	1.00
6-allyl-8b-Carboxy-ergoline	ME928364	0.95	1.20	0.84	1.04
Riboflavin	ME927807	0.94	1.17	0.87	1.04
PS(38:4)	ME927770	0.91	1.21	0.90	1.02
Demethylated antipyrine	ME928309	0.89	1.18	0.90	1.06
2-Pyrrolidinone	ME928449	0.91	1.20	0.86	1.06
gamma-Aminobutyric acid	ME927651	0.90	1.19	0.87	1.06
hexenedioylcarnitine	ME928274	0.97	1.02	0.88	1.14
Arg/Asp/Asp/Gly	ME927971	0.95	0.99	0.91	1.16
N-Acetyl-D-fucosamine	ME928372	0.93	1.01	0.93	1.15
PE(36:4)	ME927784	0.92	1.08	0.96	1.07
alpha-D-desosamine	ME928395	0.94	1.06	0.98	1.04
PC(36:4)	ME927691	0.93	1.06	0.97	1.07
PE(41:1)	ME927765	0.94	1.05	0.97	1.06
PC(35:5)	ME927780	0.98	1.02	0.92	1.10
2-acetamidoglucal	ME928327	0.95	1.04	0.94	1.09
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	ME928349	0.95	1.04	0.93	1.09
Glutamine	ME927655	0.90	1.10	0.92	1.11
PC(33:5)	ME927741	0.91	1.08	0.94	1.10
PE(O-38:5)	ME927775	0.93	1.09	0.88	1.11
Dihydrothymine	ME927830	0.92	1.10	0.89	1.13
Demecolcine	ME927659	0.91	1.08	0.91	1.14
PE(41:2)	ME927752	0.91	1.09	0.90	1.13
SM(d42:2)	ME927795	0.97	1.08	0.87	1.09
SM(d36:2)	ME927756	0.90	1.13	0.94	1.08
5-Valerolactone	ME928321	0.96	1.13	0.89	1.02
SM(d36:1)	ME927754	0.94	1.13	0.89	1.05
Convicine	ME928251	0.93	1.10	0.92	1.07
SM(d40:2)	ME927769	0.93	1.12	0.91	1.07
N-(tricosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	ME928232	0.93	1.11	0.91	1.08
PE(P-38:4)	ME927774	0.92	1.11	0.91	1.08
Glu/Cys/Cys	ME928085	0.94	1.09	0.93	1.05
Gamma-glutamyl-L-putrescine	ME927588	0.96	1.08	0.91	1.06
PE(P-40:5)	ME927745	0.96	1.09	0.90	1.06
Ala/Ile/Lys/Lys/Trp	ME928183	1.00	0.89	1.05	1.06
Roxatidine acetate	ME928296	1.02	0.89	1.05	1.03
Asn/Glu/Ile/Pro	ME928066	0.96	0.96	1.06	1.02
2-methylphosphinoyl-2-hydroxyacetate	ME928452	0.96	0.96	1.09	1.01
"N-Acetyl-2,3-dihydro-1H-pyrrole"	ME928332	0.96	0.94	1.08	1.03
Phosphonoacetaldehyde	ME927640	0.94	0.98	1.11	1.00
Pyrene	ME928418	0.95	0.94	1.12	1.02
Fabianine	ME928348	1.00	0.95	1.02	1.03
Procaterol	ME928260	1.02	0.93	1.00	1.04
Ala/Leu/Lys/Pro	ME928194	0.99	0.96	1.05	1.00
Ala/Leu/Thr/Ala	ME928207	0.99	0.95	1.05	1.00
Asn/Gln/Thr/Tyr/Tyr	ME928210	0.98	0.97	1.04	1.01
Homoglutathione	ME928433	0.99	0.97	1.03	1.02
"1,2,3-Tris(1-ethoxyethoxy)propane"	ME928371	1.03	0.94	1.03	0.99
6-Amino-9H-purine-9-propanoic acid	ME928258	1.02	0.95	1.04	0.99
Ala/Ala/Glu/Glu/His	ME928028	0.99	0.97	1.07	0.98
Valine	ME927646	1.01	0.95	1.06	0.98
Butenylcarnitine	ME928288	1.00	0.95	1.08	0.97
Ile/Lys/Pro	ME928227	1.01	0.94	1.07	0.97
Benzoic acid	ME927607	0.96	1.12	1.02	0.91
"2-Amino-9,10-epoxy-8-oxodecanoic acid"	ME927714	0.99	1.10	0.99	0.92
Cichorine	ME928375	1.02	1.05	1.00	0.92
His/Ile/Met/Arg/Thr	ME928088	1.00	1.07	1.00	0.93
Avenic acid A	ME928382	1.09	1.04	0.92	0.92
Ala/Asn/Ser	ME927909	1.07	1.06	0.90	0.96
Cer(d42:2)	ME927762	1.07	1.07	0.91	0.93
Uridine 5^-diphosphate	ME927825	1.04	1.06	0.96	0.92
4-Pyridoxolactone	ME927801	1.05	1.10	0.92	0.90
mycaminose	ME928379	1.06	1.08	0.94	0.90
Ile/Lys/Ser	ME927995	1.10	1.00	0.96	0.90
LysoPC(18:2)	ME927726	1.08	0.99	0.96	0.94
Serine	ME927618	1.09	1.00	0.94	0.94
Anaferine	ME927662	1.04	1.02	0.99	0.95
"(2R,3R)-1,2,3-Butanetriol"	ME928308	1.03	1.02	0.97	0.97
Ala/Ala/Ala/Ser	ME928047	1.05	1.01	0.97	0.96
PC(38:5)	ME927679	1.06	1.02	0.92	0.98
PE(34:1)	ME927692	1.06	1.03	0.94	0.95
dodecyltrimethylammonium	ME928276	1.03	1.02	0.95	0.99
Dopa	ME927639	1.02	1.04	0.94	0.99
PE(35:0)	ME927695	1.02	1.06	0.93	0.97
PE(P-40:4)	ME927739	1.04	1.05	0.91	0.99
PC(36:2)	ME927697	1.03	0.99	0.94	1.03
5-Amino-3-oxohexanoate	ME927608	1.01	1.00	0.96	1.03
PC(40:6)	ME927681	1.01	1.01	0.95	1.02
PC(40:5)	ME927686	0.99	1.06	0.90	1.06
4-(Trimethylammonio)but-2-enoate	ME928384	1.00	1.05	0.91	1.03
PC(38:3)	ME927685	0.99	1.05	0.92	1.04
"cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)"	ME928430	1.00	1.04	0.93	1.04
PC(36:1)	ME927698	1.01	1.03	0.93	1.03
Indenestrol A	ME928306	0.95	1.08	0.96	1.02
LysoPC(18:1)	ME927678	0.97	1.08	0.96	1.00
Tetraethylammonium	ME928345	0.98	1.05	0.96	1.01
PC(38:4)	ME927690	1.00	1.06	0.94	1.00
Sarcodon scabrosus Depsipeptide	ME928268	1.00	1.06	0.93	1.00
Gamma-Butyrolactone	ME928324	0.94	1.10	1.02	0.96
"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1-alpha -D- ribofuranosyl 5-phosphate]-D-ribitol"	ME928390	0.95	1.05	1.03	1.00
N-Methylalanine	ME928411	0.96	1.06	1.01	0.99
PE(P-36:1)	ME927776	0.95	1.07	1.00	0.99
Asp/Phe/Ile/Lys/Asn	ME928226	0.98	1.01	1.06	0.95
hydroxyisovaleroyl carnitine	ME928423	0.99	1.03	1.02	0.96
Ile/Pro	ME928206	0.97	1.03	1.01	1.00
1-Pyrroline-5-carboxylic acid	ME927603	0.98	1.03	1.00	1.00
DL-2-Aminooctanoic acid	ME928432	0.99	1.02	1.00	1.00
Lycoflexine	ME928412	1.01	1.01	0.98	1.00
Creatine	ME927654	0.99	1.03	0.99	0.99
15(R)-hydroperoxy-EPE	ME928453	1.00	1.02	0.99	1.00
Gly/His	ME928225	1.00	1.02	0.99	0.99
"2-N,6-N-Bis(2,3-dihydroxy-N-benzoyl)-L-serine"	ME928410	1.00	1.05	0.98	0.96
Otonecine	ME928386	1.00	1.03	0.97	1.00
Alanine	ME927634	1.01	1.04	0.97	0.98
N6-Acetyl-N6-hydroxy-L-lysine	ME927605	1.00	1.04	0.97	0.99
2-Aminoheptanoate	ME927773	1.01	1.00	1.02	0.97
Histidine trimethylbetaine	ME927633	1.00	1.00	1.02	0.99
4-Methylaminobutyrate	ME927813	1.00	0.99	1.03	0.98
Neotussilagine	ME928320	1.00	0.99	1.04	0.98
"(2R,4S)-2,4-Diaminopentanoate"	ME927625	1.03	0.99	1.00	0.96
Eucaglobulin	ME928331	1.02	0.98	1.02	0.97
Labienoxime	ME928356	1.03	0.99	1.02	0.96
Carnitine	ME927629	1.02	0.99	0.99	1.00
N-hydroxy-L-dihomomethionine	ME928385	1.02	0.99	0.98	1.00
Lotaustralin	ME928445	1.02	0.99	1.01	0.99
Slaframine	ME927664	1.01	1.00	1.00	0.99
Acetylcarnitine	ME927637	0.98	0.99	1.00	1.03
N-Acetylputrescine	ME927645	1.00	0.98	1.01	1.01
2-Nonenoic acid	ME927715	1.00	0.99	1.01	1.01
Leu/Ala	ME928215	1.00	0.99	1.00	1.01
Heliamine	ME928439	0.99	1.00	1.01	1.01
Octylamine	ME928442	0.99	0.99	1.02	1.00
Ala/Cys/Lys/Met/Tyr	ME928079	0.95	0.88	1.05	1.13
Thr/Ala	ME928014	0.96	0.88	1.04	1.14
N-acetyl-L-2-aminoadipate(2-)	ME927609	1.01	0.93	0.95	1.11
"Lysine 1,6-lactam"	ME927627	0.97	0.96	0.99	1.09
PE(34:2)	ME927789	0.96	0.94	0.99	1.13
Arg/Thr/Asp/Ser	ME927958	0.86	0.97	1.14	1.07
PE(P-20:0)	ME927728	0.87	0.98	1.14	1.05
Demethoxyfumitremorgin C	ME928394	0.92	0.89	1.11	1.11
Coriandrone D	ME928248	0.90	0.95	1.09	1.10
LPC	ME928289	0.89	0.94	1.11	1.10
Linamarin	ME928265	0.94	0.99	1.06	1.03
Nalpha-[-3-methylhex-2-enoyl]-L-glutamine	ME928355	0.94	1.01	1.07	1.01
N-Acetylhistidine	ME928388	0.92	1.04	1.06	1.01
N-(docosanoyl)-pentadecasphingadienine-1-phosphoethanolamine	ME928231	0.90	1.05	1.06	1.03
Hypoxanthine	ME927834	0.97	0.99	1.03	1.03
Methionine sulfoxide	ME927614	0.97	0.98	1.01	1.06
1-octyl-2-octyl-sn-glycero-3-phosphocholine	ME927721	0.96	0.98	1.03	1.05
4-Hydroxybutyric acid	ME927668	0.96	0.96	1.03	1.05
N-(eicosanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine	ME928230	0.94	1.03	1.02	1.04
Swainsonine	ME928352	0.94	1.04	1.01	1.03
Lupinate	ME927658	0.96	1.01	1.00	1.05
Ajmaline	ME927663	0.94	1.01	1.01	1.06
Asp/Gly/Asn/Asn/Asn	ME928157	0.93	1.03	1.00	1.06
Asp/Met/Cys/Cys	ME928061	0.94	0.96	1.04	1.08
Cys/Lys/Asn/Arg/Tyr	ME927991	0.92	0.96	1.05	1.10
6-Methyltetrahydropterin	ME928426	0.91	1.00	1.04	1.08
fumiquinazoline F-indoline-3^-ol	ME928374	0.90	1.03	1.05	1.06
Asn/Thr/Thr/Tyr/Tyr	ME928108	0.85	1.04	1.08	1.08
PC(P-34:1)	ME928443	0.87	1.04	1.00	1.13
PC(P-36:1)	ME928421	0.89	1.03	1.01	1.11
Oleoylcarnitine	ME928387	0.89	1.07	0.98	1.10
SM(d32:1)	ME927767	0.90	1.04	0.98	1.11
Cys/Asp/Met/Arg/Trp	ME928191	0.89	1.05	1.02	1.07
LysoPC(16:0)	ME927764	0.89	1.08	1.02	1.05
PC(40:7)	ME927675	0.88	1.07	1.04	1.05
PE(41:5)	ME927783	0.86	1.06	1.02	1.10
Triethanolamine	ME928303	0.84	1.09	1.03	1.09
Allylcysteine	ME928319	0.98	0.72	1.62	0.89
Cys/Asp/Phe/Pro/Pro	ME928201	0.98	0.73	1.56	0.73
Ala/Ala/Ala/Arg	ME928030	0.77	1.08	1.34	0.88
Demeclocycline	ME928339	0.80	0.90	1.40	0.96
Nicotinic acid	ME927810	0.80	0.96	1.45	0.86
Glu/Ile/Lys/Pro/Arg	ME927920	1.58	0.36	1.55	0.31
Guanosine	ME927819	1.41	0.37	1.66	0.43
Cys/Cys/Asp/His/His	ME927959	1.25	0.87	1.31	0.50
11-nitro-1-undecene	ME928408	1.17	0.85	1.44	0.49
FeHM	ME928396	1.21	0.84	1.40	0.48
3-tert-Butyl-5-methylcatechol	ME928437	0.98	0.87	1.63	0.53
tridecadienoic acid	ME927787	1.13	0.78	1.60	0.45
Ergothioneine	ME927615	1.33	0.67	1.45	0.43
Methocarbamol	ME928404	1.38	0.60	1.54	0.35
3^-amino-3^-deoxyadenosine	ME928269	1.27	0.60	1.49	0.55
3-nitro-2-pentanol	ME928424	1.24	0.59	1.47	0.61
Acetylphosphopantetheine	ME928240	1.24	0.60	1.48	0.60
Asn/Met/Thr/Thr	ME928140	1.15	0.64	1.43	0.72
Aminoacetone	ME927606	1.13	0.63	1.51	0.68
Guanine	ME927831	1.16	0.58	1.56	0.66
LysoPS(18:2)	ME927717	NA	1.02	0.85	1.13
Se-Adenosylselenohomocysteine	ME927610	NA	1.16	0.32	1.07
benzoyl cyanide	ME928277	NA	1.00	0.59	1.14
N-Acetylisatin	ME927602	NA	0.99	0.45	1.19
Cys/Cys/Asp/Asp/Thr	ME927934	0.58	1.27	0.06	1.32
Met/Ser	ME928130	0.35	1.37	0.66	1.84
6-Hydroxy-R-acenocoumarol	ME928286	0.49	1.41	0.39	1.88
flutolanil	ME928419	0.21	1.39	0.31	1.86
3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one	ME928373	0.45	1.53	0.63	1.40
3-Methyleneoxindole	ME928400	0.55	1.56	0.61	1.44
4-Hydroxyglucobrassicin	ME928363	0.54	1.48	0.68	1.45
3-Indoleacetaldoxime	ME928368	0.62	1.40	0.56	1.56
Asp/Met/Met/Arg/Tyr	ME928095	0.51	1.39	0.56	1.54
1H-Indole-3-acetamide	ME927623	0.55	1.46	0.47	1.67
Cys/Tyr	ME928099	0.51	1.49	0.54	1.63
indole-3-acetonitrile oxide	ME928310	0.50	1.45	0.55	1.66
Quinaldic acid	ME928422	0.45	1.48	0.53	1.73
quinoline-4-carboxylate	ME928380	0.45	1.53	0.45	1.76
"3^,4^,5^-Trimethoxycinnamyl alcohol acetate"	ME928279	0.49	1.19	0.72	1.76
VIM-II(d42:1)	ME927759	0.45	1.36	0.73	1.64
Sesaminol glucosyl-(1->2)-[glucosyl-(1->6)]-glucoside	ME928381	0.49	1.28	0.84	1.56
Glu/Arg/Arg/Arg/Tyr	ME928193	0.54	1.34	0.77	1.51
Codeine	ME927660	0.53	1.34	0.73	1.56
His/His/Asn/Trp/Trp	ME928182	0.52	1.30	0.75	1.60
Cysteinyl-Hydroxyproline	ME928399	0.69	1.23	0.60	1.59
Ala/Glu/Ile/Lys/Thr	ME928121	0.71	1.14	0.80	1.45
Cys/Phe/Gly/Gly	ME928156	0.68	1.20	0.72	1.51
Ile/Cys/Phe	ME928175	0.69	1.13	0.94	1.33
Phe/Lys/Arg/Thr/Tyr	ME928168	0.52	1.34	0.88	1.43
Ile/Cys/Tyr	ME928098	0.62	1.29	0.85	1.37
LysoPC(18:0)	ME927760	0.66	1.24	0.87	1.35
Erythrose 4-phosphate	ME927666	0.54	1.00	0.70	1.25
Deidaclin	ME928341	0.77	1.43	0.66	1.21
Ala/Phe/His/Ile/Lys	ME928071	0.63	1.17	0.33	1.17
"3,4-Dihydroxymandelic acid"	ME927596	0.73	1.28	0.51	1.32
bacteriochlorophyllide a	ME928333	0.82	1.18	0.37	1.36

Factors:

F1	Treatment:DMSO
F2	Treatment:KAE609_20x_IC50
F3	Treatment:KAE609_5x_IC50
F4	Treatment:WEHI-1888504

Data matrix