Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004138)

(Analysis AN006860)

Metabolite	Structure	F1	F2	F3
L-Iditol	ME1101605	0.44	0.15	3.90
Adenosine 3^5^-cyclic monophosphate	ME1101555	0.25	0.36	3.83
PLK	ME1101615	0.38	0.26	3.78
Fexofenadine	ME1102376	1.01	0.00	3.10
D-(+)-Maltose	ME1101596	0.90	0.19	2.91
Maltotetraose	ME1101853	0.95	0.18	2.84
VLH	ME1101907	0.69	0.21	3.28
15-Acetyldeoxynivalenol	ME1101778	0.52	0.46	3.08
Tetrahydrocortisone	ME1101740	0.49	0.51	3.06
Aflatoxin B1	ME1102103	0.44	0.38	3.42
Pregnanetriol	ME1102091	0.36	0.47	3.40
¶¡-Lactose	ME1101485	0.42	1.58	0.90
H-Tyr(3-I)-OH	ME1102364	0.53	1.54	0.77
Limonin	ME1101620	0.54	1.50	0.85
pentane-1,2,3,4,5-pentol	ME1101812	0.42	1.50	1.07
Spermidine	ME1101903	0.59	1.31	1.15
Alanyltyrosine	ME1102409	0.57	1.35	1.09
5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one	ME1101859	0.52	1.38	1.13
N-Desmethyltramadol	ME1101851	0.55	1.35	1.15
N-phenyl-N^-{[5-(2-phenyleth-1-ynyl)-3-pyridyl]carbonyl}thiourea	ME1101897	0.44	1.77	0.45
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-1,3-dione	ME1101638	0.32	1.89	0.43
N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolecarboxamide	ME1101619	0.39	1.85	0.38
Lysopc 18:3	ME1102406	0.51	1.62	0.64
L-Methionine Methyl Ester	ME1101847	0.40	1.73	0.62
Triethanolamine	ME1101683	0.38	1.76	0.59
1H-indol-3-yl(pyridin-2-yl)methanol	ME1101694	0.25	1.72	0.95
2-{[2-(3-cyano-2-pyridinyl)hydrazino]carbonyl}benzoic acid	ME1101820	0.11	1.92	0.77
1-(2-pyridin-2-yldiazenyl)-2-naphthol	ME1101625	0.09	2.25	0.11
N1-isopropyl-2-(1H-2-pyrrolylcarbonyl)-1-hydrazinecarboxamide	ME1102080	0.08	2.27	0.08
5^-S-Methyl-5^-thioadenosine	ME1101534	0.07	2.31	0.02
S-Adenosylmethionine	ME1101465	0.01	2.35	0.05
MAG (18:3)	ME1102383	0.26	2.11	0.08
N^3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide	ME1101590	0.25	2.10	0.11
1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione	ME1101681	0.16	2.12	0.25
1-benzyl-4-(4-nitrophenyl)piperazine	ME1101641	0.18	2.10	0.27
Ethyl oleate	ME1101632	0.51	1.86	0.12
Puerarin	ME1101628	0.39	1.98	0.12
Gluconolactone	ME1102404	0.91	1.53	0.05
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolan-5-yl]acetic acid	ME1101999	0.70	1.69	0.11
cis-7-Hexadecenoic Acid	ME1101614	0.76	1.64	0.10
5-amino-1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide	ME1102394	0.62	1.69	0.27
Diosmetin	ME1101594	0.61	1.75	0.15
11-Ketoetiocholanolone	ME1102415	0.51	1.00	1.97
2,5-bis(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-3-ol	ME1101707	1.35	0.30	1.81
Isopropyl myristate	ME1101584	1.21	0.45	1.77
Coniine	ME1101949	1.16	0.53	1.71
N-Cyclohexyl-N-methylcyclohexanamine	ME1102261	1.15	0.51	1.75
VLK	ME1102036	1.11	0.47	1.90
Milbemycin A3 oxime	ME1102067	1.17	0.44	1.86
DMH	ME1101682	1.19	0.41	1.88
RLK	ME1102325	1.22	0.39	1.86
2-(cyclopropylimino)-3-(2-thienylmethyl)-1,3-thiazolan-4-one	ME1102346	0.80	0.87	1.67
DL-¶¡-Tocopherol	ME1102326	0.76	0.90	1.69
EMH	ME1102164	0.80	0.90	1.61
FLK	ME1101749	0.80	0.89	1.62
L-Leucyl-L-Alanine	ME1102391	0.77	0.95	1.56
Safrole	ME1101947	0.81	0.91	1.56
5-Methyluridine	ME1102430	0.90	0.84	1.55
VMK	ME1102181	0.90	0.84	1.54
6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one	ME1102163	0.85	0.88	1.54
Isoproterenol	ME1102436	0.86	0.89	1.51
AKB48 N-(4-fluorobenzyl) analog	ME1101832	0.87	0.88	1.50
Ne-(1-Carboxymethyl)-L-lysine	ME1102418	0.87	0.88	1.50
Leu-Pro	ME1102469	0.88	0.82	1.62
MQH	ME1102197	0.89	0.81	1.62
EKK	ME1102344	0.93	0.79	1.58
HRH	ME1102177	0.96	0.78	1.55
Glu-Thr	ME1101706	1.06	0.58	1.78
VQH	ME1101923	1.04	0.61	1.75
Monolaurin	ME1102173	1.08	0.60	1.69
Ala-Gln	ME1102439	1.05	0.64	1.66
4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid	ME1102081	1.02	0.65	1.71
Loxoprofen	ME1101635	1.04	0.64	1.70
¶¡-Aspartylphenylalanine	ME1101549	1.01	0.73	1.55
Debromohymenialdisine	ME1102220	1.01	0.72	1.56
KNK	ME1102021	0.96	0.75	1.62
TLK	ME1102102	0.98	0.73	1.62
DGMG (18:2)	ME1102433	1.00	0.70	1.64
Ecgonine methyl ester	ME1102179	1.01	0.68	1.67
VPH	ME1102013	0.90	0.75	1.72
1-[5-(2-phenyleth-1-ynyl)-2-thienyl]ethan-1-one oxime	ME1102150	0.89	0.78	1.69
TLH	ME1101811	0.88	0.78	1.71
LQH	ME1102264	0.85	0.81	1.70
Prolylleucine	ME1101866	0.84	0.80	1.74
Pantetheine	ME1102403	0.77	0.83	1.81
NKK	ME1101835	0.85	0.76	1.81
VNK	ME1102027	0.82	0.74	1.90
N1-pyrazin-2-yl-4-chlorobenzamide	ME1102355	1.01	0.58	1.87
Lysopc 20:4	ME1101713	0.92	0.65	1.90
N-[4-(diethylamino)phenyl]-N^-phenylurea	ME1102445	0.92	0.67	1.87
N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-4-nitrobenzamide	ME1101889	0.91	0.68	1.85
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol	ME1102050	0.93	0.72	1.74
NAD+	ME1101912	0.93	0.72	1.74
GPK	ME1102242	0.97	0.67	1.77
15-epi Cloprostenol	ME1102237	0.93	0.70	1.78
CKK	ME1102245	0.93	0.69	1.81
Prostaglandin F2¶¡-1-glyceryl ester	ME1102343	0.93	0.69	1.80
2-(14,15-Epoxyeicosatrienoyl) glycerol	ME1102208	0.70	0.78	2.07
6-methyl-4-(morpholinomethyl)-2H-chromen-2-one	ME1102185	0.62	0.76	2.25
DL-Arginine	ME1101563	0.63	0.74	2.28
Tetranor-12(S)-HETE	ME1102154	0.91	0.49	2.27
(°¿)13-HpODE	ME1102149	0.87	0.55	2.22
Nortriptyline	ME1101855	0.83	0.57	2.24
Maltopentaose	ME1102199	0.82	0.62	2.16
2-phenyl-4H-furo[2,3-h]chromen-4-one	ME1101735	0.79	0.61	2.22
QLK	ME1102046	0.79	0.61	2.24
Neopterin	ME1102485	1.00	0.53	2.02
QLH	ME1102297	1.02	0.53	1.97
LMH	ME1102323	0.95	0.56	2.02
Guanine	ME1101551	0.93	0.55	2.09
SLK	ME1101709	0.94	0.55	2.08
Methyl palmitate	ME1102085	0.79	0.70	2.04
N-Acetyl-L-carnosine	ME1102078	0.83	0.67	2.03
N alpha-Acetyl-L-Arginine	ME1101865	0.89	0.63	2.01
N,N-dimethyl-5-nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine	ME1102375	0.91	0.60	2.04
INK	ME1101979	0.84	0.69	1.97
(5-L-Glutamyl)-L-Amino Acid	ME1102407	0.87	0.66	1.97
5-morpholino-2,4(1H,3H)-pyrimidinedione	ME1101517	0.86	0.66	1.98
6,7,8-trimethoxy-2-(2-phenoxy-3-pyridyl)-4H-3,1-benzoxazin-4-one	ME1102347	0.93	0.61	1.97
11(Z),14(Z),17(Z)-Eicosatrienoic acid	ME1102054	0.92	0.64	1.94
Lysopc 17:0	ME1102413	0.91	0.64	1.95
2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one	ME1102162	0.72	0.62	2.35
L-Cystathionine	ME1102039	0.66	0.61	2.50
dihydrotachysterol	ME1101915	0.70	0.58	2.50
HMK	ME1101914	0.69	0.60	2.46
Solanidine	ME1101678	0.70	0.58	2.47
RMH	ME1101821	0.69	0.49	2.70
2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile	ME1102066	0.66	0.55	2.62
Solanine	ME1101672	0.70	0.51	2.64
NNK	ME1101799	0.56	0.65	2.60
(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide	ME1101996	0.53	0.60	2.77
N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}acetamide	ME1101960	0.59	0.58	2.70
3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine	ME1101917	0.92	0.37	2.50
4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitrile	ME1101791	1.13	0.18	2.50
EPH	ME1101963	1.11	0.17	2.53
4-(1H-pyrazol-1-yl)-N,N-bis(2-pyridinylmethyl)benzenesulfonamide	ME1101690	1.32	0.08	2.32
2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid	ME1102359	1.14	0.36	2.09
3-hydroxy-3-methylpentanedioic acid	ME1102072	1.08	0.34	2.25
Hexadecanamide	ME1102043	1.16	0.29	2.20
DL-2-(acetylamino)-3-phenylpropanoic acid	ME1101494	1.57	0.78	0.35
Pyridoxal	ME1101977	1.54	0.77	0.43
D-Sphingosine	ME1102386	1.52	0.80	0.40
octadec-9-ynoic acid	ME1101604	1.54	0.80	0.37
9-Oxo-ODE	ME1101661	1.62	0.68	0.46
5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite	ME1102200	1.58	0.73	0.43
Gramine	ME1101591	1.57	0.73	0.48
15-Deoxy-¶§12,14-prostaglandin A1	ME1101585	1.73	0.74	0.13
2^-Deoxyadenosine	ME1101511	1.69	0.73	0.24
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid	ME1101621	1.70	0.74	0.19
3^,5,7-Trihydroxy-4^-methoxyflavanone	ME1101627	1.67	0.71	0.31
4-(3,4-dimethylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one	ME1101727	1.66	0.72	0.31
Diaminopimelic acid	ME1101530	1.73	0.68	0.27
Etiocholanolone	ME1101644	1.74	0.66	0.27
4-Hexyloxyaniline	ME1101815	1.21	1.21	0.14
Amphetamine	ME1101486	1.21	1.19	0.20
4-morpholinobenzoic acid	ME1101492	1.33	1.08	0.17
N^1-(3-phenylprop-2-enylidene)-3-(4-hydroxyphenyl)propanohydrazide	ME1101750	1.28	1.12	0.19
NPK	ME1101976	1.28	1.12	0.19
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine	ME1101801	1.49	0.87	0.32
Indole	ME1101728	1.42	0.90	0.40
2-Amino-1,3-octadecanediol	ME1101469	1.42	0.93	0.31
N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide	ME1101873	1.42	0.92	0.33
Homocysteic acid	ME1102357	1.28	1.08	0.28
Glycerol 1-hexadecanoate	ME1101761	1.27	1.07	0.33
Pazufloxacin	ME1102307	1.29	1.04	0.35
Thymopentin	ME1102421	1.42	0.98	0.23
2-Amino-1,3,4-octadecanetriol	ME1101481	1.37	1.01	0.26
3-(2-Hydroxyethyl)indole	ME1101927	1.34	1.02	0.29
2-[4-(methylsulfonimidoyl)phenoxy]-5-nitropyridine	ME1101704	1.58	0.86	0.16
6-Acetylmorphine	ME1101699	1.44	0.98	0.17
S-(Methyl)Glutathione	ME1101651	1.44	1.01	0.12
Rosuvastatin	ME1102381	2.57	0.01	0.02
RKK	ME1102188	2.24	0.16	0.36
Decanoylcarnitine	ME1101603	2.17	0.18	0.45
Jervine	ME1102253	2.16	0.21	0.43
Pilocarpine	ME1101606	2.36	0.15	0.14
2,3,5,6-Tetramethylpyrazine	ME1101970	2.41	0.11	0.14
Oxymatrine	ME1101601	2.40	0.12	0.14
ethyl 2-amino-8H-indeno[2,1-b]thiophene-3-carboxylate	ME1101607	2.40	0.07	0.25
Lysine Butyrate	ME1101805	2.34	0.13	0.23
R-1 Methanandamide phosphate	ME1101679	2.29	0.26	0.05
N4-(4-chloro-2,5-dimethoxyphenyl)morpholine-4-carbothioamide	ME1101870	2.19	0.25	0.26
11-Epiprostaglandin E1	ME1101602	2.18	0.28	0.23
5¶¡-Dihydrotestosterone	ME1101659	2.18	0.28	0.21
Glycolithocholic acid	ME1102396	2.26	0.21	0.23
Betulin	ME1101633	2.27	0.18	0.25
Cystine	ME1101673	2.28	0.18	0.24
Dipropylene glycol dimethyl ether	ME1101608	2.26	0.23	0.18
Indole-3-acetic acid	ME1101535	2.29	0.23	0.12
Mosapride citrate	ME1101478	2.32	0.19	0.16
ethyl 3-oxo-3-(1H-pyrazol-5-ylamino)propanoate	ME1101817	2.15	0.05	0.79
L-(+)-Citrulline	ME1101701	2.14	0.06	0.79
L-Carnitine	ME1102291	2.04	0.20	0.68
Glycerophospho-N-palmitoyl ethanolamine	ME1102390	2.11	0.17	0.60
XLR11 N-(2-fluoropentyl) isomer	ME1101622	2.06	0.21	0.60
Obscurolide A1	ME1102286	1.78	0.44	0.67
FPK	ME1101840	1.74	0.47	0.68
Tetramethylpyrazine	ME1101862	1.76	0.47	0.65
Ferulic acid	ME1101544	1.70	0.51	0.67
L(+)-Ornithine	ME1101499	1.77	0.49	0.59
Acetyl-L-carnitine	ME1101497	1.74	0.49	0.62
1,8-Diazabicyclo [5.4.0]undec-7-ene	ME1102155	1.73	0.51	0.62
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate	ME1102354	1.73	0.51	0.62
N-Acetyl-L-leucine	ME1101698	1.82	0.44	0.59
¶¡-Lapachone	ME1102004	1.77	0.51	0.54
Prostaglandin A2	ME1102402	1.79	0.48	0.56
4-methyl-5-phenoxy-6-piperidino-2-(trifluoromethyl)pyrimidine	ME1102086	1.81	0.48	0.53
Choline	ME1101466	1.80	0.49	0.53
4-(pentyloxy)benzene-1-carbohydrazide	ME1101845	1.65	0.63	0.53
ethyl 2-cyano-3-[(2-oxoazepan-3-yl)amino]acrylate	ME1101746	1.63	0.65	0.52
N-[2-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)vinyl]-N,N-dimethylamine	ME1101898	1.59	0.68	0.54
3-[2-(2-pyridyl)ethyl]-2-thioxoimidazolidin-4-one	ME1102255	1.62	0.64	0.56
2-piperidinobenzoic acid	ME1101802	1.60	0.66	0.56
N-Acetyl-DL-phenylalanine	ME1102461	1.60	0.65	0.57
Gemifloxacin	ME1101823	1.66	0.58	0.61
L-Homocystine	ME1101910	1.65	0.56	0.65
Aflatoxin M1	ME1102218	1.70	0.55	0.59
DL-Lysine	ME1101489	1.67	0.59	0.55
2-Linoleoyl glycerol	ME1101732	1.72	0.57	0.51
Dehydroepiandrosterone (DHEA)	ME1101972	1.71	0.59	0.47
17-AAG	ME1102431	1.74	0.57	0.47
Flunitrazepam-d3	ME1101787	1.74	0.57	0.45
2-Hydroxyphenylalanine	ME1102449	1.82	0.53	0.40
Psychosine	ME1101649	1.77	0.59	0.35
2-{4-[(trifluoromethyl)thio]phenoxy}ethanohydrazide	ME1101783	1.76	0.39	0.81
YNK	ME1102348	1.72	0.41	0.86
5-amino-2-(dimethylamino)benzoic acid	ME1101792	1.67	0.50	0.75
N-{4-[(nitromethyl)sulfonyl]phenyl}acetamide	ME1101721	1.72	0.45	0.77
10b-methyl-1,5,6,10b-tetrahydroimidazo[2,1-a]isoquinolin-2(3H)-one	ME1101657	1.90	0.28	0.77
Lysope 18:1	ME1102393	1.89	0.24	0.89
(+/-)12(13)-DiHOME	ME1102380	2.14	0.36	0.13
cis-Resveratrol	ME1101484	2.08	0.39	0.18
Acetophenone	ME1101462	1.99	0.47	0.18
Berberine	ME1101578	1.97	0.53	0.09
Hexanoylcarnitine	ME1101493	2.10	0.30	0.33
2-Phenylbenzimidazole	ME1101729	2.05	0.35	0.33
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	ME1101885	2.03	0.39	0.29
Quinoline	ME1101582	2.04	0.39	0.26
7-Ketocholesterol	ME1101667	2.06	0.27	0.48
All-Trans-13,14-Dihydroretinol	ME1101647	2.03	0.27	0.54
2,7,7-trimethyl-5,6,7,8-tetrahydroquinolin-5-one oxime	ME1101695	1.98	0.40	0.37
3-Hydroxylidocaine	ME1102088	1.98	0.40	0.37
Bz-RS-ISer(3-Ph)-Ome	ME1102416	2.00	0.36	0.41
Caprolactam	ME1101617	1.97	0.38	0.43
N6-Methyladenine	ME1101827	2.00	0.33	0.47
Phylloquinone	ME1101663	1.98	0.35	0.48
Styrene	ME1101583	1.99	0.34	0.48
Prostaglandin E1	ME1101754	2.05	0.32	0.41
XLR11 N-(4-hydroxypentyl) metabolite	ME1101671	2.03	0.32	0.43
Anandamide (AEA)	ME1102457	1.88	0.49	0.37
(-)-Caryophyllene oxide	ME1101676	1.90	0.46	0.40
N-benzoyl-N^-(2-chlorophenyl)thiourea	ME1102256	1.92	0.41	0.46
N1-isopropyl-2-(phenylthio)benzamide	ME1101938	1.88	0.44	0.48
Cholecalciferol	ME1101642	1.89	0.44	0.44
cis-gondoic acid	ME1101830	1.87	0.46	0.44
Stearoyl ethanolamide	ME1101637	1.87	0.46	0.44
D-¶ƒ-Tocopherol	ME1102064	1.86	0.38	0.65
Maslinic acid	ME1101643	1.91	0.33	0.64
RPK	ME1101629	1.89	0.33	0.68
Carbofuran	ME1102060	1.88	0.41	0.53
Ecgonine	ME1101623	1.93	0.34	0.59
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid	ME1101675	1.93	0.37	0.53
1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one	ME1102202	1.94	0.37	0.52
2,6-Xylidine	ME1101480	1.94	0.36	0.53
N-(1,3-benzodioxol-5-ylmethyl)-6-morpholinonicotinamide	ME1102025	1.61	0.16	1.60
Neosaxitoxin	ME1102169	1.58	0.35	1.25
FNK	ME1101997	1.60	0.38	1.16
GLK	ME1101734	1.56	0.42	1.14
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole	ME1102205	1.49	0.47	1.17
Folic acid	ME1102052	1.45	0.46	1.28
PAF C-16	ME1101674	1.41	0.34	1.59
Phenytoin	ME1101946	1.36	0.41	1.54
4-Guanidinobutanoic acid	ME1102228	1.33	0.53	1.34
Hypoxanthine	ME1101537	1.39	0.44	1.44
N,N-dimethyl-9H-purin-6-amine	ME1101733	1.44	0.42	1.37
Ergosta-5,7,9(11),22-Tetraen-3-beta-Ol	ME1101772	0.65	1.59	0.43
N4-Acetylsulfamethoxazole	ME1102414	0.60	1.60	0.49
(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide	ME1102453	0.62	1.58	0.51
Agmatine	ME1101508	0.63	1.57	0.52
(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one	ME1102304	0.72	1.56	0.35
Histamine	ME1101474	0.68	1.54	0.47
cis-4-Hydroxy-D-proline	ME1101502	0.71	1.51	0.47
Muscone	ME1101758	0.70	1.52	0.48
Vindoline	ME1102215	0.70	1.52	0.48
16-Heptadecyne-1,2,4-triol	ME1101854	0.72	1.53	0.42
NPH	ME1102268	0.75	1.48	0.46
WKK	ME1102369	0.74	1.50	0.45
3,3,5-trimethyl-3H,11H-pyrano[3,2-a]carbazole	ME1102289	0.63	1.51	0.64
Reserpine	ME1102387	0.64	1.52	0.61
N1-(2-pyridylmethyl)-2-[3,5-di(trifluoromethyl)benzoyl]benzamide	ME1101950	0.60	1.53	0.67
Normorphine	ME1101691	0.62	1.50	0.69
Emodin	ME1101532	0.68	1.50	0.56
Vitamin B2	ME1102492	0.69	1.49	0.56
4-(5-propyl-2-pyridyl)benzonitrile	ME1101833	0.76	1.43	0.54
N1-(3,4,5-trimethoxyphenyl)-3-(2-chlorophenyl)acrylamide	ME1102147	0.70	1.47	0.59
N,N-Bis(2-hydroxyethyl)formamide	ME1101588	0.71	1.46	0.59
N-(4-chlorophenyl)-5-hex-1-ynylnicotinamide	ME1102257	0.73	1.42	0.61
Tetrahydrocorticosterone	ME1101804	0.74	1.42	0.60
5,5-dimethyl-3-morpholinocyclohex-2-en-1-one	ME1101669	0.73	1.44	0.59
Sulfamethoxazole	ME1101881	0.72	1.44	0.61
Adenosine	ME1101556	0.67	1.36	0.87
Kahweol	ME1101775	0.68	1.37	0.85
Valerophenone	ME1101654	0.69	1.35	0.85
5-Phenylvaleric Acid	ME1102233	0.73	1.36	0.77
2-(2-hydroxy-3-methylbutanamido)-4-methylpentanoic acid	ME1101826	0.73	1.34	0.80
3-Acetoxyurs-12-en-23-oic acid	ME1101718	0.72	1.35	0.79
3-pentadecyl-4,5,6,7-tetrahydrobenzo[d]isoxazol-4-one oxime	ME1101723	0.69	1.40	0.76
Tramadol N-Oxide	ME1102012	0.72	1.39	0.72
ANH	ME1101756	0.88	1.35	0.49
1,4-dihydroxyheptadec-16-en-2-yl acetate	ME1101759	0.89	1.36	0.44
Nornicotine	ME1101875	0.90	1.35	0.45
Paracetamol	ME1101561	0.82	1.37	0.57
Folinic acid	ME1101558	0.85	1.34	0.58
N-Methylisoleucine	ME1101645	0.86	1.33	0.58
DL-¶¡-Aminocaprylic acid	ME1101705	0.81	1.40	0.52
TMK	ME1102301	0.86	1.34	0.54
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one	ME1101942	0.84	1.37	0.53
ANK	ME1102140	0.85	1.37	0.51
SNK	ME1101807	0.81	1.28	0.77
2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole	ME1101722	0.77	1.33	0.74
Glycitin	ME1101777	0.79	1.31	0.74
15-Deoxy-¶§12,14-prostaglandin J2-2-glycerol ester	ME1102105	0.76	1.37	0.69
3-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1-methyl-1H-pyrazol-5-amine	ME1102129	0.77	1.35	0.69
Guanidineacetic acid	ME1101882	0.81	1.32	0.69
2-((Dimethylamino)methyl)phenol	ME1101797	0.82	1.33	0.67
4-Methoxycinnamic acid	ME1101510	0.81	1.33	0.66
FMK	ME1102089	0.78	1.37	0.64
Cuminaldehyde	ME1101703	0.81	1.35	0.62
Nicotinamide adenine dinucleotide (NAD+)	ME1101533	0.80	1.36	0.63
6-(4-phenylpiperazino)hexanoic acid hydrochloride	ME1102008	0.92	1.26	0.60
Punicic Acid	ME1102443	0.93	1.26	0.60
5-trans prostaglandin F2¶¬	ME1101717	0.94	1.24	0.60
Bosentan	ME1101973	0.95	1.23	0.60
Estropipate	ME1101742	0.92	1.28	0.55
6-Pentyl-2H-pyran-2-one	ME1101852	0.89	1.29	0.60
1-(4-Methoxyphenyl)-2-propanone	ME1102463	0.90	1.28	0.59
Spectinomycin	ME1101939	0.90	1.29	0.58
Epinastine	ME1101930	0.86	1.26	0.72
20-Carboxy-Leukotriene B4	ME1102074	0.88	1.23	0.73
5-Hydroxyomeprazole	ME1102058	0.88	1.24	0.72
Cyclohexaneacetic acid	ME1102250	0.85	1.28	0.70
Salsolinol	ME1102476	0.84	1.29	0.70
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	ME1101825	0.82	1.29	0.74
GW501516	ME1102332	0.83	1.29	0.72
Lysope 14:0	ME1101763	0.92	1.24	0.64
Isophorone	ME1101626	0.90	1.25	0.68
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide	ME1101940	0.90	1.25	0.66
Propionyl-L-carnitine	ME1102419	0.90	1.26	0.66
Oxymorphone	ME1102262	0.86	1.28	0.68
AMK	ME1101813	0.87	1.28	0.66
Ergocalciferol	ME1101829	0.86	1.28	0.66
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME1102146	0.87	1.30	0.63
Ingenol-3-angelate	ME1102330	0.84	1.32	0.64
Cortisol	ME1102254	1.12	1.07	0.60
4-Pyridoxic acid	ME1101570	1.11	1.10	0.58
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole	ME1101906	1.10	1.10	0.60
Mag (18:1)	ME1102139	1.15	1.04	0.63
Estrone	ME1102462	1.17	1.02	0.62
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine	ME1102061	1.16	1.02	0.63
3-[(dimethylamino)methylene]-1H-2-benzothiopyran-4(3H)-one	ME1102282	1.16	1.03	0.62
Coumarin	ME1101515	1.11	1.05	0.68
indoline-2-carboxylic acid	ME1101720	1.11	1.05	0.67
2,3-Dihydroxybenzoic acid	ME1102184	1.13	1.04	0.66
6-Methylnicotinamide	ME1101525	1.14	1.03	0.67
p-Hydroxybenzaldehyde	ME1102230	1.08	1.09	0.64
Tiglic acid	ME1101790	1.08	1.09	0.66
Carbaprostacyclin	ME1101715	1.08	1.07	0.69
YMK	ME1102126	1.09	1.07	0.67
Homo-Gamma-Linolenic Acid (C20:3)	ME1101921	1.25	0.99	0.55
Oleanolic acid	ME1101710	1.24	0.99	0.55
Dibutyl sebacate	ME1102400	1.25	0.97	0.57
N3-benzylphenanthro[9,10-e][1,2,4]triazin-3-amine	ME1102221	1.25	0.97	0.56
Docosahexaenoyl Ethanolamide	ME1102047	1.26	0.96	0.58
Kynurenic acid	ME1101559	1.25	0.96	0.59
Androsterone	ME1102084	1.25	0.95	0.62
Ergosterol	ME1101920	1.25	0.95	0.62
SKK	ME1102243	1.21	0.98	0.63
Adenosine 5^-monophosphate	ME1101519	1.21	0.99	0.61
3-[1-(dimethylamino)-1H-pyrrol-2-yl]-2-(2-furylcarbonyl)acrylonitrile	ME1102341	1.22	0.99	0.60
4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile	ME1101618	1.22	0.98	0.60
Cryptotanshinone	ME1101883	1.16	1.09	0.50
D-Panthenol	ME1101789	1.14	1.09	0.53
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine	ME1102070	1.20	1.04	0.53
FKK	ME1101935	1.17	1.06	0.53
Mupirocin	ME1101806	1.18	1.05	0.53
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME1101769	1.20	1.01	0.59
Oxohongdenafil	ME1101924	1.19	1.03	0.56
1-Methylxanthine	ME1102422	1.21	1.01	0.57
6-Hexanoyl-D-erythro-sphingosine	ME1101800	1.21	1.02	0.55
13(S)-HOTrE	ME1102435	1.01	1.20	0.57
12-Oxo phytodienoic acid	ME1101781	0.97	1.21	0.61
Boc-beta-cyano-L-alanine	ME1102412	1.00	1.19	0.60
Solvent orange 2	ME1101890	0.99	1.19	0.61
Kinetin 9-riboside	ME1102477	1.00	1.17	0.65
YLH	ME1102279	1.00	1.16	0.66
3-(4-hydroxy-3-methoxyphenyl)propanoic acid	ME1102342	1.00	1.15	0.67
5¶¡-Pregnan-3,20-dione	ME1102280	1.01	1.15	0.66
3-Methoxybenzaldehyde	ME1101520	0.98	1.16	0.70
1-(3,4-dimethoxyphenyl)ethan-1-one oxime	ME1102137	0.96	1.19	0.68
Palmitoleic Acid	ME1102134	0.98	1.18	0.66
Eicosapentaenoic acid	ME1101503	1.03	1.16	0.59
4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate	ME1101686	1.04	1.13	0.66
L-Phenylalanine	ME1101553	1.05	1.13	0.62
Phenylpropiolic acid	ME1102277	1.03	1.15	0.63
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	ME1101839	1.04	1.14	0.63
1,2-di(3,4-dimethoxyphenyl)diaz-1-ene	ME1102109	1.09	1.04	0.73
1-Methylhistidine	ME1101911	1.06	1.07	0.73
DMK	ME1102260	1.02	1.09	0.77
trans-Cinnamaldehyde	ME1102219	1.03	1.07	0.79
23-Nordeoxycholic acid	ME1102489	1.06	1.04	0.80
9-HOTrE	ME1102474	1.07	1.05	0.76
7-hydroxy-6-methoxy-2H-chromen-2-one	ME1102170	1.06	1.05	0.77
Prostaglandin K2	ME1102454	1.06	1.05	0.78
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one	ME1102132	0.98	1.12	0.78
Verrucarol	ME1101858	0.98	1.14	0.75
2,3-dihydroxypropyl 12-methyltridecanoate	ME1101716	1.00	1.12	0.74
Sepiapterin	ME1102331	1.01	1.13	0.71
UR-144 N-(5-Chloropentyl) analog	ME1102121	1.01	1.12	0.72
2-Aminoadipic acid	ME1101552	1.03	1.10	0.73
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide	ME1101488	1.03	1.11	0.70
3,14-dihydro-15-keto-tetranor Prostaglandin E2	ME1102113	0.94	1.19	0.73
4-oxo-5-phenylpentanoic acid	ME1102174	0.93	1.20	0.70
Minocycline	ME1102225	0.93	1.21	0.69
2-morpholino-1-phenyl-1-ethanol	ME1101655	0.92	1.17	0.80
Nicotinic acid	ME1101501	0.91	1.18	0.81
Pyridoxamine	ME1102198	0.90	1.18	0.80
cholesteryl sulfate	ME1102270	0.95	1.15	0.78
2,6-Di-tert-butyl-1,4-benzoquinone	ME1102069	0.94	1.15	0.80
LysoPC 20:2	ME1102468	0.94	1.15	0.80
Cyclohexanecarboxylic acid	ME1101868	1.06	1.18	0.49
Enrofloxacin	ME1102317	1.09	1.15	0.50
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole	ME1102026	1.07	1.13	0.58
ILK	ME1101745	1.07	1.15	0.54
2,4-Dihydroxybenzoic acid	ME1102423	1.05	1.24	0.39
(-)-Camphor	ME1101652	1.08	1.18	0.45
gamma-Nonanolactone	ME1102424	1.10	1.19	0.41
1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one	ME1101891	1.10	1.23	0.32
PD 0200347	ME1101974	1.10	1.23	0.31
Daidzein	ME1101538	1.14	1.21	0.28
Fenvalerate	ME1101752	1.13	1.23	0.27
Testosterone undecanoate	ME1101796	1.18	1.09	0.46
Tomatidine	ME1101668	1.19	1.09	0.43
3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile	ME1102195	1.14	1.13	0.45
Nicotinate ribonucleoside	ME1102486	1.15	1.14	0.41
Cadaverine	ME1101933	1.20	1.15	0.29
10-Undecenoic acid	ME1102410	1.15	1.16	0.37
4-(benzoylamino)-3-hydroxybutanoic acid	ME1101611	1.17	1.15	0.35
FIBF-d7	ME1101680	1.20	1.12	0.36
19(R)-hydroxy Prostaglandin E2	ME1102136	1.23	1.09	0.35
PKK	ME1102339	1.22	1.09	0.37
4-Methoxycinnamaldehyde	ME1101714	0.88	1.40	0.39
Deoxycorticosterone 21-glucoside	ME1102417	0.85	1.44	0.35
Kanosamine	ME1101731	0.84	1.45	0.35
Adipamide	ME1101719	0.94	1.29	0.49
2-Methylbutyroylcarnitine	ME1101658	1.01	1.27	0.42
Boldione	ME1101810	0.98	1.26	0.47
N8-Acetylspermidine	ME1101482	0.99	1.26	0.47
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one	ME1101662	0.98	1.29	0.43
IPH	ME1101904	0.95	1.30	0.45
9-Oxo-10(E),12(E)-octadecadienoic acid	ME1101592	0.97	1.38	0.25
Oleic acid	ME1101610	0.97	1.33	0.34
Piperine	ME1101677	0.97	1.33	0.37
2-Thio-acetyl MAGE	ME1101656	1.40	0.56	1.17
N6-Acetyl-L-lysine	ME1101529	1.42	0.56	1.11
8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one	ME1101527	1.31	0.65	1.13
Indole-3-butyric acid	ME1102480	1.31	0.65	1.12
Chlorogenic acid	ME1102011	1.30	0.64	1.18
4-Guanidinobutyric acid	ME1101504	1.33	0.62	1.18
7-(2-aminophenyl)heptanoic acid	ME1101861	1.35	0.60	1.18
C-8 Ceramide-1-phosphate	ME1102352	1.30	0.69	1.08
5(S)-HpEPE	ME1102171	1.32	0.68	1.05
D-(+)-Proline	ME1101664	1.34	0.68	1.03
LPH	ME1102244	1.35	0.64	1.09
Thr-Leu	ME1102388	1.39	0.63	1.02
Stearamide	ME1101575	1.38	0.63	1.05
dG-C8-IQ	ME1101905	1.37	0.63	1.06
Lidocaine N-oxide	ME1102125	1.37	0.63	1.06
2-chloro-6-{4-[(4-hydroxypiperidino)sulfonyl]phenoxy}benzonitrile	ME1102165	1.55	0.49	1.01
Palmitoylcarnitine	ME1101487	1.54	0.48	1.06
1-(5,7-dichloro-2,3,4,4a-tetrahydro-1H-xanthen-4-yl)pyrrolidine	ME1101913	1.51	0.53	1.00
Edaravone	ME1101512	1.49	0.56	0.97
LNH	ME1102187	1.48	0.52	1.08
Glycyl-L-leucine	ME1101540	1.50	0.51	1.07
PLH	ME1101708	1.50	0.51	1.05
Gamma-Glu-Leu	ME1102484	1.49	0.54	1.03
(2S)-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one	ME1101794	1.47	0.56	1.04
5-methyl-N^-[3-(trifluoromethyl)benzoyl]-3-isoxazolecarbohydrazide	ME1101863	1.46	0.55	1.04
Thiamine	ME1101473	1.64	0.40	1.03
DL-Panthenol	ME1101888	1.65	0.43	0.94
L-Lysine	ME1101550	1.61	0.46	0.95
Protopine	ME1101836	1.57	0.50	0.94
Xanthine	ME1101547	1.60	0.49	0.92
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	ME1102133	1.60	0.56	0.76
3-(4-ethoxyphenyl)-2-(tetrahydro-1H-pyrrol-1-ylcarbonyl)acrylonitrile	ME1102123	1.58	0.61	0.71
N-(2-hydroxyphenyl)acetamide	ME1102068	1.54	0.62	0.74
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid	ME1101956	1.59	0.54	0.83
N1-{[5-(2,4-difluorophenyl)-2-furyl]methyl}benzene-1-sulfonamide	ME1102266	1.57	0.53	0.87
Urocanic acid	ME1101557	1.57	0.54	0.85
1-Naphthol	ME1101837	1.53	0.54	0.94
ELK	ME1101757	1.50	0.58	0.90
IPK	ME1102120	1.53	0.57	0.90
Poncirin	ME1101697	1.47	0.63	0.87
4-Phenylbutyric acid	ME1101560	1.48	0.62	0.87
7-Methylguanine	ME1101639	1.48	0.62	0.87
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-one	ME1102110	1.46	0.63	0.89
L-Histidine	ME1101541	1.46	0.64	0.87
FMH	ME1101616	1.46	0.66	0.82
Glycitein	ME1101545	1.45	0.66	0.86
5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol	ME1102041	1.52	0.59	0.86
Cannabidiolic acid	ME1102458	1.53	0.59	0.83
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	ME1102048	1.49	0.63	0.83
Linolelaidic Acid (C18:2N6T)	ME1102472	1.51	0.62	0.81
L-Isoleucine	ME1101747	1.51	0.62	0.80
(2E)-3-phenyl-N-(2-phenylethyl)prop-2-enamide	ME1102239	1.41	0.67	0.89
5-OxoETE	ME1101860	1.41	0.66	0.92
Epitestosterone	ME1101786	1.43	0.65	0.92
Cytisine	ME1101818	1.45	0.62	0.92
Gly-Val	ME1101760	1.48	0.58	0.94
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine	ME1101692	1.47	0.60	0.92
DL-Glutamine	ME1101476	1.47	0.60	0.93
2-Arachidonoyl glycerol	ME1101980	1.43	0.63	0.95
Ricinine	ME1102073	1.45	0.60	0.97
8-Aminooctanoic acid	ME1101929	1.41	0.80	0.64
DRH	ME1101961	1.39	0.80	0.64
4-(allyloxy)-1,2-dihydroquinolin-2-one	ME1102189	1.38	0.81	0.67
N-Carbamyl-L-glutamicacid	ME1102438	1.37	0.82	0.65
Hydroxyprogesterone caproate	ME1101872	1.32	0.89	0.61
Levalbuterol	ME1102178	1.30	0.90	0.62
2-acetamido-3-(4-methoxyphenyl)propanoic acid	ME1101774	1.31	0.88	0.65
6 ¶¬-Hydroxycortisol	ME1102217	1.31	0.88	0.64
(°¿)8-HEPE	ME1101666	1.31	0.87	0.65
N-Formylkynurenine	ME1102408	1.32	0.87	0.65
Phenmetrazine	ME1102318	1.32	0.87	0.65
mesaconic acid	ME1101995	1.34	0.87	0.61
5-Hydroxytryptophol	ME1102455	1.35	0.86	0.61
Spermine	ME1102159	1.35	0.87	0.61
L-Adrenaline	ME1101702	1.33	0.87	0.63
N-{[(2R,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide	ME1101998	1.33	0.87	0.63
Bisphenol M	ME1101893	1.35	0.85	0.63
Rosmarinic acid	ME1102350	1.34	0.86	0.63
4-Methyl-5-thiazoleethanol	ME1101479	1.28	0.85	0.77
N1,N1-diethyl-4-[2-(4-bromophenyl)diaz-1-enyl]aniline	ME1102249	1.25	0.87	0.80
L-Kynurenine	ME1101524	1.26	0.87	0.78
L-5-Hydroxytryptophan	ME1101650	1.25	0.88	0.77
Pyroglutamic acid	ME1102040	1.26	0.88	0.76
(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one	ME1102023	1.34	0.81	0.75
Arachidonoyl serinol	ME1101986	1.33	0.82	0.74
1-(6-methyl-3-pyridyl)ethan-1-one O1-ethyloxime hydrochloride	ME1102206	1.33	0.80	0.77
5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile	ME1102235	1.30	0.83	0.76
3-(2-Naphthyl)-D-Alanine	ME1102490	1.31	0.82	0.76
alpha-Farnesene	ME1102106	1.32	0.81	0.76
Deoxylimonin	ME1101684	1.32	0.82	0.76
3-Hydroxypicolinic acid	ME1102464	1.32	0.84	0.72
Imidazolelactic acid	ME1101554	1.32	0.84	0.71
2-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-2-oxoethoxy}acetic acid	ME1102141	1.29	0.87	0.70
Cortisone	ME1102083	1.30	0.86	0.71
4^-Methoxyacetophenone	ME1101959	1.35	0.80	0.73
Methanandamide	ME1101984	1.36	0.80	0.71
D-Phenylalanine	ME1101793	1.33	0.84	0.68
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid	ME1102265	1.36	0.82	0.69
4-Nitrosodiphenylamine	ME1101874	1.35	0.83	0.68
1-adamantyl(piperidino)methanone	ME1102049	1.17	0.96	0.76
¶ÿ-Hydroxynorfentanyl	ME1102322	1.16	0.97	0.76
D-¶¡-Tocopherol	ME1102274	1.14	0.97	0.80
methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate	ME1101928	1.14	0.97	0.79
3-hydroxy-1,5-diphenylpentan-1-one	ME1102190	1.15	0.97	0.78
beta-Nicotinamide adenine dinucleotide phosphate	ME1102370	1.15	0.96	0.79
N-P-Coumaroyl Spermidine	ME1102210	1.12	1.00	0.76
YNH	ME1102192	1.13	1.00	0.75
Azetidine-2-carboxylic acid	ME1101824	1.14	1.01	0.71
Desthiobiotin	ME1102452	1.16	0.98	0.72
N-(4-piperidinophenyl)-2-thiophenecarboxamide	ME1102130	1.15	1.00	0.72
Oxaceprol	ME1102450	1.15	0.99	0.73
(S)-Nicotine	ME1102045	1.28	0.90	0.66
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid	ME1102298	1.29	0.89	0.67
Delta-Tridecalactone	ME1101766	1.29	0.88	0.68
6-(7-methyloctyl)-1H,3H,4H,6H-furo[3,4-c]furan-1-one	ME1102156	1.25	0.92	0.68
Lysopc 16:1	ME1101989	1.26	0.91	0.68
QKK	ME1102259	1.27	0.90	0.70
2-Hydroxyhippuric acid	ME1101572	1.27	0.90	0.69
4-Hydroxyindole	ME1101857	1.27	0.90	0.68
N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N^-phenylurea	ME1101990	1.23	0.94	0.68
Sinapyl aldehyde	ME1102032	1.24	0.93	0.68
N1-{4-methyl-2-[(3,4,5-trimethoxybenzylidene)amino]phenyl}acetamide	ME1101599	1.20	0.96	0.69
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid	ME1101788	1.21	0.96	0.66
6-Hydroxynicotinic acid	ME1101838	1.21	0.97	0.67
Ciprostene	ME1102273	1.18	0.95	0.73
N-Acetyl-DL-valine	ME1101689	1.20	0.95	0.72
Testosterone	ME1102356	1.24	0.90	0.74
Vitexin	ME1101509	1.23	0.90	0.76
6-cyclohex-3-enyl-5-nitropiperidin-2-one	ME1102327	1.22	0.93	0.73
Prostaglandin B2	ME1102300	1.22	0.93	0.72
1-(4-fluorophenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]piperazine	ME1101957	1.23	0.92	0.71
Carvone	ME1101992	1.25	0.91	0.71
KQH	ME1102234	1.24	0.91	0.72
2,4-dihydroxyheptadec-16-en-1-yl acetate	ME1102338	1.20	0.91	0.81
Tris(2-carboxyethyl)phosphine	ME1102302	1.20	0.90	0.83
Arachidonic acid methyl ester	ME1102329	1.18	0.93	0.79
L-Pyroglutamic acid	ME1101526	1.18	0.93	0.80
Pipecolic acid	ME1101536	1.19	0.93	0.78
8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	ME1102118	1.19	0.92	0.79
FQH	ME1102275	1.20	0.92	0.79
L-Asparagine	ME1102432	1.21	0.92	0.77
Pyridoxine O-Glucoside	ME1102295	1.20	0.93	0.75
Octopamine	ME1101784	1.18	0.91	0.84
1-(2-furyl)pentane-1,4-dione	ME1102303	1.16	0.92	0.86
Icaritin	ME1101665	1.17	0.91	0.86
1-Phenyl-3-methyl-5-pyrazolone	ME1101506	1.18	0.90	0.86
DL-m-Tyrosine	ME1101711	1.18	0.89	0.87
D-(+)-Camphor	ME1102082	1.22	0.88	0.83
3-Acetyl-11-keto-¶¬-boswellic acid	ME1102252	1.22	0.86	0.86
2,4-Dimethylbenzaldehyde	ME1101755	1.23	0.87	0.84
Verapamil hydrochloride	ME1102142	1.23	0.86	0.85
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol	ME1102311	1.22	0.85	0.89
8-Hydroxyquinoline	ME1101505	1.19	0.87	0.89
Acetanilide	ME1101464	1.20	0.87	0.88
2-Pyridylacetic acid	ME1102373	1.14	0.91	0.93
O-7460	ME1102231	1.14	0.90	0.94
3-Methylindole	ME1102077	1.12	0.91	0.96
VMH	ME1102293	1.14	0.89	0.96
FPH	ME1102014	1.15	0.91	0.90
Oleamide	ME1101688	1.15	0.91	0.90
4-{2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl}benzonitrile	ME1101730	1.15	0.92	0.89
Methyl 3-indolyacetate	ME1102425	1.14	0.92	0.89
Octyl hydrogen phthalate	ME1101967	1.14	0.93	0.86
1,7-bis(3,4-dihydroxyphenyl)heptan-3-one	ME1102227	1.14	0.93	0.88
Alternariol	ME1101753	1.13	0.93	0.88
L-Glutamate	ME1102098	1.10	0.94	0.93
Methandrostenolone	ME1101896	1.10	0.94	0.92
Biliverdin	ME1101908	1.11	0.94	0.91
3-(3-pyridinyl)propanoic acid	ME1101630	1.13	0.93	0.90
4-Methoxybenzaldehyde	ME1101780	1.12	0.94	0.90
Valylproline	ME1102392	1.12	0.94	0.90
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid	ME1101965	1.16	0.85	0.99
D-(+)-Pipecolinic acid	ME1101528	1.14	0.87	1.00
Kinetin	ME1102448	1.21	0.84	0.94
TQH	ME1102186	1.21	0.84	0.93
Bicyclo prostaglandin E2	ME1101966	1.18	0.87	0.93
¶¥-Aminobutyric acid (GABA)	ME1101483	1.18	0.85	0.96
Methyl nicotinate	ME1102276	1.17	0.87	0.95
6-Ketoprostaglandin F1¶¡	ME1102493	1.17	0.86	0.95
N,N-Dimethyldecylamine N-oxide	ME1101736	1.17	0.86	0.95
2-(carboxymethoxy)-4-methoxybenzoic acid	ME1102349	1.28	0.80	0.89
7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole	ME1102203	1.28	0.80	0.87
Di(2-ethylhexyl) phthalate	ME1101931	1.25	0.82	0.89
3-methyl-5-phenylpyridazine	ME1101844	1.26	0.82	0.87
5-Methoxyindoleacetic acid	ME1101518	1.26	0.82	0.87
Bilirubin	ME1102495	1.27	0.83	0.83
2-methyl-1,2-dihydrophthalazin-1-one	ME1102321	1.27	0.84	0.81
Azaspiracid-1	ME1102063	1.27	0.84	0.81
3-hydroxy-2-[5-nitro-2-(1-pyrrolidinyl)benzyl]propanenitrile	ME1102006	1.28	0.81	0.85
¶¡-Linolenoyl ethanolamide	ME1101937	1.28	0.81	0.85
Andrographolide	ME1101768	1.29	0.81	0.84
Phe-Pro	ME1101634	1.29	0.81	0.84
22(S)-Hydroxycholesterol	ME1102131	1.31	0.79	0.84
N1-hexahydropyrimidin-2-yliden-2,6-dichlorobenzamide	ME1102127	1.30	0.80	0.83
Heptadecanoic Acid	ME1101962	1.30	0.82	0.81
WPH	ME1101785	1.32	0.80	0.80
1-[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]-3-methoxy-1-propanone	ME1102115	1.32	0.76	0.87
3^,4^-Dihydroxyphenylacetone	ME1102240	1.31	0.76	0.90
3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide	ME1102353	1.33	0.79	0.82
3-(1-benzylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine	ME1102320	1.33	0.78	0.83
1-(4-methylphenyl)-3,5-diphenylpent-2-ene-1,5-dione	ME1101828	1.34	0.77	0.83
11-Deoxy prostaglandin F1¶¬	ME1102042	1.33	0.77	0.84
4-(Diethylamino)salicylaldehyde	ME1102099	1.33	0.77	0.83
N-(2-morpholinophenyl)-2-furamide	ME1102172	1.35	0.76	0.83
MPK	ME1101982	1.36	0.77	0.80
o-Cresol	ME1102446	1.36	0.76	0.82
PPK	ME1102157	1.36	0.76	0.81
LPK	ME1101725	1.30	0.74	0.96
N-Acetylornithine	ME1101542	1.35	0.71	0.94
Bialaphos	ME1101819	1.37	0.71	0.89
WLK	ME1102313	1.38	0.71	0.89
1-Palmitoyl-Sn-Glycero-3-Phosphocholine	ME1101579	1.36	0.72	0.91
L-Valine	ME1101587	1.34	0.73	0.90
Indole-3-acrylic acid	ME1102456	1.43	0.69	0.81
Oleoyl ethylamide	ME1101589	1.41	0.71	0.82
7-Aminoclonazepam-d4	ME1102079	1.40	0.72	0.82
Epinephrine	ME1102399	1.40	0.71	0.83
2-Methylbutyl beta-D-glucopyranoside	ME1102269	1.47	0.70	0.72
D-Glucose 6-phosphate	ME1101531	1.48	0.68	0.73
L-Tryptophan	ME1101461	1.46	0.70	0.75
Avocadyne 1-acetate	ME1101739	1.45	0.71	0.72
Arachidonoyl amide	ME1102119	1.44	0.72	0.74
Ritalinic acid	ME1102204	1.45	0.71	0.74
Clinafloxacin	ME1102065	1.38	0.78	0.72
5,6-Dimethylbenzimidazole	ME1102092	1.40	0.78	0.68
AL 8810 Methyl ester	ME1102229	1.40	0.77	0.71
Jasmone	ME1101846	1.40	0.77	0.70
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	ME1101693	1.38	0.77	0.76
N-Stearoyl taurine	ME1102018	1.37	0.77	0.77
(+/-)-CP 47,497-C7-Hydroxy metabolite	ME1102158	1.38	0.76	0.75
MNK	ME1102213	1.39	0.77	0.74
Melatonin	ME1101687	1.41	0.75	0.73
2-Methoxyestradiol (2-MeOE2)	ME1101816	1.42	0.73	0.74
VNH	ME1102116	1.42	0.73	0.76
Riboflavin	ME1101491	1.49	0.76	0.54
19-Nortestosterone	ME1102124	1.44	0.74	0.70
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol	ME1102076	1.44	0.75	0.68
4-styrylpyridine	ME1101968	1.45	0.74	0.66
3^-Hydroxystanozolol	ME1102096	1.48	0.73	0.65
gamma-Tocopherol	ME1102111	1.47	0.73	0.67
N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide	ME1102017	1.47	0.73	0.66
Thymine	ME1101500	1.47	0.73	0.66
6-Methylquinoline	ME1101581	1.43	0.77	0.64
Corticosterone	ME1101564	1.48	0.75	0.59
2-(1H-indol-3-yl)acetic acid	ME1101507	1.46	0.76	0.61
Proline-hydroxyproline	ME1101776	1.47	0.75	0.61
Methionine	ME1102471	1.54	0.69	0.59
4-Hydroxypropranolol	ME1102196	1.50	0.71	0.63
N6,N6,N6-Trimethyl-L-lysine	ME1101490	1.51	0.72	0.60
N-Acetyl-D-tryptophan	ME1102005	1.52	0.71	0.60
2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one	ME1101834	1.51	0.67	0.71
N-(1-benzothiophen-2-yl)-N^-(2-methylphenyl)urea	ME1102029	1.54	0.67	0.63
N1-cyclooctyl-4-hydroxy-1-piperidinecarbothioamide	ME1101944	1.53	0.67	0.67
Apocynin	ME1101751	1.37	0.85	0.59
Tropine	ME1101948	1.35	0.88	0.56
Coenzyme Q2	ME1102309	1.37	0.87	0.55
L-Glutamic acid	ME1101539	1.37	0.86	0.57
IRH	ME1101631	1.44	0.81	0.55
Norcodeine	ME1102143	1.44	0.82	0.53
(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one	ME1102001	1.41	0.84	0.53
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one	ME1101737	1.40	0.84	0.56
Oleoyl ethanolamide	ME1102384	1.41	0.83	0.58
FRH	ME1101932	1.39	0.89	0.47
2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one	ME1101773	1.40	0.87	0.48
Cafestol	ME1101841	1.41	0.87	0.48
C-6 NBD ceramide	ME1101926	1.39	0.88	0.51
Isotretinoin	ME1101743	1.37	0.89	0.50
Diosgenin	ME1102095	1.37	0.91	0.48
N-Acetylmethionine	ME1101971	1.35	0.91	0.51
Erucic acid	ME1101726	1.45	0.82	0.50
L-(-)-Methionine	ME1101495	1.44	0.84	0.48
O-Desmethylnaproxen	ME1102288	1.44	0.85	0.48
N1-Acetylspermine	ME1101779	1.46	0.84	0.43
N-(5-Aminopentyl)acetamide	ME1102377	1.43	0.86	0.45
PPH	ME1101941	1.44	0.86	0.43
Tyramine	ME1102401	1.34	0.96	0.43
L-Glutathione (reduced)	ME1101856	1.34	0.97	0.39
Vitamin E Acetate	ME1101958	1.34	0.97	0.40
N-(4-fluorophenyl)-N^-(2-piperidinophenyl)urea	ME1102007	1.32	0.92	0.55
Maltol	ME1101514	1.31	0.97	0.47
Linoleoyl ethanolamide	ME1102378	1.26	0.99	0.50
MAG (18:2)	ME1102434	1.27	0.98	0.52
Hydroquinone	ME1101724	1.26	1.01	0.47
L-Threonine	ME1101477	1.28	0.99	0.47
2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid	ME1101612	0.87	1.07	1.11
Methylimidazoleacetic acid	ME1101653	0.90	1.06	1.08
5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one	ME1102035	0.86	1.05	1.17
TNH	ME1101798	0.83	1.06	1.20
N-Tetradecanamide	ME1101598	0.96	0.92	1.24
Salvinorin B	ME1102459	0.96	0.92	1.24
4-Acetamidobutyric Acid	ME1102428	1.00	0.92	1.17
Isoquinoline	ME1102000	0.96	0.95	1.19
N6-Me-dA	ME1101696	0.97	0.93	1.20
Acetylcholine	ME1101576	0.87	1.01	1.24
Methyl cinnamate	ME1101744	0.89	0.98	1.26
P-Aminohippuric Acid	ME1102053	0.90	0.98	1.24
2-[(carboxymethyl)(methyl)amino]-5-methoxybenzoic acid	ME1102470	0.89	1.00	1.21
WNK	ME1101945	0.91	0.98	1.21
1-Palmitoylglycerol	ME1101577	0.91	0.97	1.22
N-Desmethyl sildenafil	ME1101953	0.91	0.98	1.22
5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine	ME1102191	0.94	0.98	1.16
Gly-Tyr	ME1102441	0.94	0.97	1.18
trans-4-Phenyl-4-piperidinocyclohexanol	ME1101848	0.93	1.02	1.09
Desloratadine	ME1101513	0.90	1.01	1.16
Sphinganine	ME1102114	0.92	1.02	1.13
Glu-Val-Phe	ME1101748	1.01	0.80	1.41
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyridinecarbonitrile	ME1102071	1.02	0.82	1.36
JWH-018 N-(3-methylbutyl) isomer	ME1102151	0.99	0.83	1.38
¶¥-L-Glutamyl-L-glutamic acid	ME1101902	0.99	0.79	1.46
EPK	ME1101867	1.00	0.78	1.47
Lysope 16:0	ME1102278	1.04	0.74	1.49
IKK	ME1102022	1.06	0.73	1.47
2-[2-(2-pyridyloxy)ethoxy]pyridine	ME1101993	1.04	0.74	1.46
NMK	ME1101884	1.05	0.74	1.45
4-Pregnen-17alpha,20alpha-Diol-3-One	ME1101765	0.85	0.96	1.38
Isorhamnetin	ME1101879	0.83	0.94	1.46
2-(1H-benzimidazol-2-yl)-N-[4-(benzyloxy)phenyl]benzamide	ME1102180	1.02	0.84	1.31
N^-hydroxy-2-methyl-1,3-thiazole-4-carboximidamide	ME1102267	1.01	0.85	1.30
Glycylproline	ME1101685	1.03	0.86	1.24
2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one	ME1102361	0.99	0.89	1.27
Norfenefrine	ME1102112	1.01	0.87	1.26
2,3-Dinor-TXB2	ME1102371	0.91	0.93	1.32
SPK	ME1102062	0.90	0.90	1.40
7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine	ME1101918	0.93	0.88	1.40
N-cyclohexyl-N-methyl-6-quinoxalinecarboxamide	ME1102090	0.92	0.88	1.41
Methyl EudesMate	ME1101943	0.91	0.92	1.36
AKK	ME1102272	0.92	0.89	1.38
4-OHE2-1-N7Gua	ME1102167	0.94	0.89	1.36
Creatine	ME1101463	0.93	0.90	1.36
5^-Deoxy-5^-(Methylthio)Adenosine	ME1102214	0.96	0.89	1.31
5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-h]chromen-4-one	ME1102319	0.97	0.86	1.36
Narasin	ME1102294	0.96	0.87	1.35
DPH	ME1102315	1.06	0.86	1.17
4-Hydroxybenzaldehyde	ME1101562	1.05	0.87	1.18
4-oxododecanedioic acid	ME1102251	1.04	0.88	1.19
Thromboxane B2	ME1102216	1.08	0.84	1.18
6-Hydroxymelatonin	ME1102440	1.09	0.83	1.18
Leukotriene B4 Ethanolamide	ME1102182	1.09	0.83	1.18
Guvacoline	ME1101795	1.09	0.84	1.16
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide	ME1102283	1.10	0.84	1.15
Lysopc 18:1	ME1101613	1.09	0.87	1.11
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide	ME1102296	1.08	0.86	1.14
1-[(3S)-3-(1,3-Benzothiazol-2-yl)-1-pyrrolidinyl]-2-phenoxyethanone	ME1102306	1.16	0.84	1.04
2-Aminopimelic acid	ME1101767	1.15	0.84	1.04
MGMG (18:2)	ME1102247	1.15	0.83	1.08
3-Methoxycinnamic acid	ME1101597	1.13	0.85	1.07
Leucylproline	ME1102382	1.11	0.85	1.09
1-Stearoylglycerol	ME1101467	1.04	0.93	1.07
Fenpropimorph	ME1102057	1.06	0.91	1.07
Stiripentol	ME1102263	1.05	0.91	1.09
SNH	ME1102336	1.10	0.89	1.04
Aflatoxin G1	ME1102475	1.07	0.89	1.09
N-Acetylhistamine	ME1101471	1.09	0.88	1.09
ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoate	ME1102104	1.09	0.88	1.07
4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate	ME1102374	1.08	0.88	1.08
Bis(3,5,5-trimethylhexyl) phthalate	ME1102358	1.08	0.89	1.07
Taurochenodeoxycholic Acid (sodium salt)	ME1102420	1.18	0.76	1.17
Hydrocortisone	ME1101991	1.18	0.77	1.15
Methyldopa	ME1101869	1.16	0.78	1.15
Lactitol	ME1102487	1.22	0.75	1.11
Temazepam-d8	ME1102122	1.20	0.76	1.13
N3,N4-Dimethyl-L-arginine	ME1101498	1.19	0.79	1.08
Acid Orange 156	ME1102094	1.18	0.79	1.11
Arecoline	ME1101712	1.18	0.78	1.11
JNJ-1661010	ME1102037	1.23	0.75	1.07
Sphingosine (d18:1)	ME1102241	1.24	0.73	1.09
Palmitoyl ethanolamide	ME1102395	1.26	0.74	1.04
RNH	ME1101814	1.24	0.76	1.03
N-acetyl-D-glucosamine	ME1102385	1.24	0.79	0.98
gamma-Glutamyltyrosine	ME1102466	1.22	0.80	0.99
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid	ME1102467	1.22	0.80	1.00
L-Alanyl-L-proline	ME1101700	1.22	0.80	1.00
1-Aminocyclohexanecarboxylic acid	ME1102030	1.21	0.78	1.05
N-¶¡-L-Acetyl-arginine	ME1102333	1.20	0.81	1.02
Pleuromutilin	ME1102175	1.19	0.81	1.04
N,N-Diethyldodecanamide	ME1101573	1.13	0.73	1.30
isoleucine	ME1101660	1.14	0.72	1.32
N-Benzylformamide	ME1101468	1.15	0.72	1.31
4-Hydroxyquinoline	ME1102166	1.10	0.76	1.32
Norharman	ME1101951	1.12	0.73	1.34
RNK	ME1101919	1.10	0.74	1.34
2-Deoxyuridine	ME1101842	1.05	0.79	1.33
Veratramine	ME1102305	1.08	0.79	1.29
2-Hydroxycinnamic acid	ME1101546	1.10	0.78	1.26
dimethyl pyridine-2,5-dicarboxylate	ME1102031	1.09	0.80	1.26
Proscillaridin A	ME1102161	1.21	0.72	1.18
2-oxopiperidine-3-carbohydrazide	ME1101952	1.20	0.73	1.18
L-Tyrosine	ME1101543	1.19	0.73	1.19
2-Phenylglycine	ME1102483	1.19	0.72	1.23
2-Styryl-1,3-benzoxazole	ME1102144	1.19	0.73	1.21
3-(1H-benzo[d]imidazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-one	ME1102101	1.25	0.68	1.20
Ala-Ile	ME1102389	1.24	0.69	1.19
Uracil	ME1101548	1.24	0.66	1.26
2-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}isoindoline-1,3-dione	ME1102108	1.25	0.66	1.23
Cytosine	ME1101496	1.24	0.67	1.22
ethyl 1-(2-cyano-3-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylate	ME1102152	1.18	0.72	1.26
Asp-Phe methyl ester	ME1102411	1.21	0.68	1.27
Cnidioside A	ME1102145	1.21	0.68	1.27
3-(4-pyridylmethylidene)chroman-4-one	ME1101895	1.31	0.61	1.23
L(-)-Carnitine	ME1101472	1.26	0.63	1.27
Prostaglandin E2-1-glyceryl ester	ME1102033	1.28	0.62	1.25
Ala-trp	ME1102427	1.18	0.68	1.34
p-Mentha-1,3,8-triene	ME1101636	1.25	0.63	1.30
1,2,3,9-tetrahydro-4H-carbazol-4-one oxime	ME1102238	1.22	0.65	1.31
LNK	ME1101809	1.22	0.64	1.34
ALK	ME1101770	1.25	0.51	1.55
MNH	ME1102093	1.29	0.52	1.45
5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one	ME1101670	1.12	0.66	1.49
6-Deoxy-D-glucose	ME1102482	1.12	0.62	1.57
DLK	ME1101871	1.12	0.63	1.54
Gly-Tyr-Ala	ME1102426	1.15	0.62	1.51
N1-(4-methylidene-3-thia-1-azaspiro[4.5]dec-2-yliden)-2-chloroaniline	ME1101983	1.16	0.59	1.55
2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)acetic acid	ME1102292	1.15	0.68	1.38
Glycine anhydride	ME1102496	1.14	0.68	1.39
Asp-Glu	ME1102437	1.13	0.68	1.43
Harmine	ME1102193	1.15	0.66	1.43
APK	ME1102310	1.23	0.61	1.38
L-(-)-alpha-Amino-epsilon-Caprolactam	ME1101894	1.21	0.60	1.46
QNK	ME1101887	1.19	0.61	1.46
L-Methionine sulfoxide	ME1101475	1.18	0.64	1.40
Ala-Val	ME1101994	1.17	0.64	1.43
Creatinine	ME1101470	1.19	0.62	1.43
Gly-Phe	ME1102397	0.67	1.19	1.24
4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate	ME1102044	0.68	1.25	1.10
Tyr-Tyr	ME1101741	0.73	1.20	1.12
Ala-Leu	ME1102398	0.71	1.18	1.17
PNK	ME1101954	0.74	1.16	1.17
Paliperidone	ME1101978	0.82	1.03	1.30
D-Ala-D-Ala	ME1101648	0.77	1.08	1.29
2-cyano-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide	ME1101762	0.73	1.11	1.28
Lysopc 18:2	ME1101609	0.74	1.11	1.27
APH	ME1102107	0.65	1.08	1.51
SMK	ME1102246	0.73	1.06	1.40
1-morpholino-3-(4-nitrophenoxy)propan-2-ol	ME1101808	0.68	1.11	1.40
YLK	ME1102138	0.71	1.09	1.38
2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile	ME1101988	0.96	1.11	0.82
Nor-9-carboxy-¶ƒ9-THC	ME1101925	0.95	1.13	0.82
5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one	ME1101985	0.99	1.10	0.81
Phlorizin	ME1102335	0.99	1.10	0.82
DL-Stachydrine	ME1101640	0.98	1.10	0.83
N-[3-(1-methyl-1H-pyrazol-3-yl)phenyl]-N^-phenylurea	ME1102372	0.97	1.10	0.84
Anacardic acid	ME1102334	0.96	1.11	0.85
T-2 Triol	ME1102248	0.97	1.10	0.86
Vanillin	ME1101521	1.01	1.04	0.91
Azilsartan	ME1101876	0.98	1.07	0.88
RMK	ME1102168	0.99	1.08	0.87
Milbemectin A4	ME1102481	0.99	1.06	0.90
L-Saccharopine	ME1101565	0.97	1.07	0.92
Estradiol	ME1102003	0.96	1.08	0.90
Cinchonidine	ME1102312	0.98	1.07	0.90
Prostaglandin J2	ME1102148	0.97	1.07	0.90
2-Oxindole	ME1101646	0.91	1.09	0.98
N-(9-oxodecyl)acetamide	ME1101936	0.92	1.08	0.98
(S)-10-Hydroxycamptothecin	ME1102100	0.94	1.09	0.93
DPK	ME1102236	0.92	1.11	0.93
Stevioside	ME1101909	0.92	1.10	0.95
N-Acetyl-aspartic acid	ME1102429	0.92	1.14	0.86
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	ME1101764	0.91	1.16	0.85
N-Methylhydantoin	ME1102287	0.90	1.16	0.86
Nicotinamide	ME1101567	0.89	1.12	0.94
Thromboxane B2-biotin	ME1102183	0.91	1.12	0.91
2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-1-methyl-1H-benzimidazole	ME1102232	0.90	1.14	0.89
ENK	ME1102314	0.89	1.14	0.91
4-{3-[(3,4-dihydroxyphenyl)methyl]-2-methylbutyl}benzene-1,2-diol	ME1102316	1.10	0.99	0.82
Ergosterol peroxide	ME1101880	1.12	0.97	0.84
13-HPODE	ME1102028	1.10	0.97	0.86
Lysopa 16:0	ME1102473	1.10	0.97	0.87
IMK	ME1102002	1.04	1.04	0.84
6,6-dimethyl-4-piperidino-5,6-dihydro-2H-thiine-2-thione	ME1101831	1.07	1.02	0.83
NVP-231	ME1102360	1.07	1.01	0.85
Dl-3-Hydroxy-kynurenine	ME1102271	1.08	0.99	0.87
L-Dopa	ME1101568	1.07	1.00	0.88
L-Alanyl-L-Lysine	ME1102460	1.05	1.01	0.88
N-METHYL (-)EPHEDRINE	ME1102285	1.03	1.02	0.89
7-Ketolithocholic acid	ME1102379	1.07	0.92	1.03
Pyridoxine	ME1101566	1.07	0.94	0.99
D,L-Camphor	ME1101849	1.05	0.95	1.00
o-Toluic Acid	ME1101934	1.06	0.94	1.01
Nonadecanoic acid	ME1102465	1.02	1.01	0.94
11-Deoxy prostaglandin F1¶¡	ME1102340	1.02	0.98	0.99
Estriol	ME1102497	1.02	0.99	0.98
LLK	ME1101595	1.02	0.99	0.98
(+/-)11(12)-DiHET	ME1102494	1.03	0.99	0.96
3-Indoleacrylic acid	ME1101901	1.03	0.99	0.96
RQH	ME1102010	1.02	1.00	0.96
Theophylline	ME1101522	1.02	1.00	0.97
(+/-)-Equol	ME1101803	1.05	0.98	0.94
Maduramicin	ME1102328	1.05	0.98	0.94
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid	ME1101975	1.04	0.98	0.95
3-Methoxytyramine	ME1102020	1.05	0.98	0.95
Imidazoleacetic acid	ME1101782	1.06	0.99	0.91
2,3-Dinor-11¶¬-prostaglandin F2¶¡	ME1102366	1.04	1.00	0.92
2-Methylpentanedioic acid	ME1102447	1.05	0.99	0.92
3-Methylcrotonylglycine	ME1102491	1.05	0.99	0.92
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one	ME1102281	1.07	0.95	0.96
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide	ME1102019	1.06	0.96	0.96
Hypoglycin A	ME1102201	1.06	0.96	0.96
Phenylacetylglycine	ME1102363	1.08	0.97	0.90
2-Phenylacetamide	ME1102324	1.08	0.96	0.92
HET0016	ME1101899	1.09	0.96	0.91
17alpha-Ethinyl estradiol	ME1102024	1.08	0.95	0.94
N-Methyldioctylamine	ME1101574	1.07	0.97	0.93
1,2-dihydroxyheptadec-16-yn-4-yl acetate	ME1102258	0.96	1.03	1.02
Citral	ME1101955	0.93	1.03	1.05
Estazolam	ME1101916	0.92	1.06	1.03
4-Hydroxyretinoic Acid	ME1102368	0.94	1.04	1.03
Silibinin	ME1101586	0.94	1.05	1.02
4-Methylvaleric Acid	ME1102059	0.99	1.02	0.98
Natamycin	ME1102016	1.00	1.01	0.97
1-(4-bromophenyl)-2-phenylethan-1-one	ME1102207	1.00	1.01	0.98
(+/-)-Cannabichromeorcin	ME1102224	1.00	1.01	0.98
7-methylpyrimido[4,5-d]pyrimidin-4-amine	ME1101822	0.97	1.04	0.98
Senecionine	ME1101886	0.97	1.04	0.99
Formononetin	ME1101569	0.98	1.02	0.98
Aloesin	ME1102194	0.98	1.03	0.98
16,16-Dimethyl prostaglandin A1	ME1102222	0.98	1.03	0.98
2-Methoxyresorcinol	ME1101969	0.98	1.03	0.98
Irganox 259	ME1102284	0.98	1.02	0.99
Prostaglandin G2	ME1102365	0.98	1.02	0.99
Dehydrocholic acid	ME1102367	0.97	1.03	0.99
Indole-3-acetaldehyde	ME1102345	0.97	1.03	0.99
L-Tyrosinemethylester	ME1102488	0.98	1.03	0.99
Undecanedioic acid	ME1102479	0.98	1.03	0.99
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine	ME1102056	0.97	1.05	0.95
Cyclohexylsulfamate	ME1102212	0.97	1.05	0.96
Catechin	ME1102478	0.96	1.05	0.97
(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one	ME1102087	0.95	1.06	0.97
Cholest-4-en-3-one	ME1102176	0.95	1.06	0.98
N-(5-acetamidopentyl)acetamide	ME1102038	0.96	1.04	1.00
Taurocholic acid	ME1101523	0.95	1.05	0.99
Artemisinin	ME1102051	0.98	0.98	1.09
Tauroursodeoxycholic acid	ME1102451	0.99	0.98	1.06
MPH	ME1102351	0.98	0.99	1.06
Taurodeoxycholic acid	ME1102135	0.98	0.99	1.06
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decahydronaphthalen-1-ol	ME1101738	0.98	0.99	1.07
(9cis)-Retinal	ME1102160	0.97	0.99	1.07
3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME1102290	0.99	1.00	1.02
Methyltestosterone	ME1102055	1.02	0.97	1.02
5-Hydroxyindole	ME1102299	1.04	0.91	1.13
16(R)-HETE	ME1102209	1.01	0.95	1.09
Trigonelline	ME1101624	1.01	0.95	1.09
MLK	ME1101987	1.01	0.95	1.07
Progesterone	ME1101922	1.01	0.96	1.07
1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one	ME1102117	0.99	0.95	1.11
Deoxycytidine	ME1101964	1.01	0.93	1.13
Octadecanamine	ME1101600	1.02	0.93	1.11
Monoolein	ME1101593	0.81	1.25	0.83
4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one	ME1102223	0.79	1.26	0.87
SPH	ME1101892	0.78	1.25	0.90
16¶¡-Hydroxydehydroepiandrosterone	ME1101771	0.84	1.21	0.86
2-hydroxy-3,6-diphenylcyclohexyl acetate	ME1102211	0.82	1.22	0.88
THC	ME1101864	0.83	1.21	0.88
N2-Methylguanosine	ME1101571	0.87	1.22	0.80
2-(3-thienylcarbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile	ME1102362	0.85	1.22	0.83
Kasugamycin	ME1101877	0.86	1.21	0.83
2-[2-oxo-2-(2-pyridylamino)ethoxy]acetic acid	ME1102308	0.80	1.17	1.03
Hydrocortisone acetate	ME1102442	0.78	1.18	1.04
Muramic acid	ME1101900	0.81	1.15	1.06
Sedanolide	ME1101878	0.80	1.14	1.08
N-Acetylputrescine	ME1101580	0.84	1.14	1.02
2-chloro-N-[4-(4-methylpiperazino)phenyl]benzamide	ME1102337	0.82	1.15	1.04
Adrenosterone	ME1102444	0.82	1.15	1.03
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	ME1102015	0.84	1.15	0.99
4-Phenyl-3-buten-2-one	ME1102153	0.86	1.14	0.98
Bicine	ME1102128	0.87	1.13	0.97
GPH	ME1102226	0.85	1.11	1.05
5-Methyl-2^-deoxycytidine	ME1102034	0.88	1.10	1.02
Prednisolone tebutate	ME1101981	0.86	1.11	1.02
4-Deacetylneosolaniol	ME1101843	0.81	1.20	0.94
PQH	ME1101850	0.79	1.21	0.97
YPH	ME1102097	0.78	1.21	0.97
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid	ME1102405	0.71	1.26	1.01
Caffeine	ME1101516	0.71	1.26	1.01
5-fluoro AKB48 N-(4-hydroxypentyl) metabolite	ME1102075	0.73	1.26	0.96
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one	ME1102009	0.76	1.24	0.96

Factors:

F1	Sample source:human_stool \| Treatment:post-4-week cholestyramine
F2	Sample source:human_stool \| Treatment:pre-4-week cholestyramine
F3	Sample source:human_stool \| Treatment:ursodeoxycholic acid

Data matrix