Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002761)

(Analysis AN004487)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9
Clomazone	ME713703	0.03	0.11	0.19	4.52	NA	NA	0.01	NA	0.29
2^-Deoxyadenosine	ME713961	0.03	0.12	0.06	4.63	NA	NA	0.00	NA	0.30
(4E)-2-Amino-3-oxo-4-undecenoic acid	ME713695	0.04	0.03	0.13	4.59	NA	NA	0.01	NA	0.42
Bacitracin A	ME714428	0.09	0.07	0.09	4.71	NA	NA	0.02	NA	0.08
VLH	ME714196	0.14	0.08	0.07	4.54	NA	NA	0.21	NA	0.14
Ergine	ME713863	0.04	0.59	0.05	4.20	NA	NA	0.00	NA	0.26
(2S)-3-Phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)propanoic acid (non-preferred name)	ME714346	0.38	0.22	0.16	3.80	NA	NA	0.01	NA	0.87
NJ5000000	ME713670	0.22	0.28	0.23	3.75	NA	NA	0.01	NA	1.02
2-(2E)-2-Octen-1-ylcyclopentanone	ME714655	0.18	0.27	0.24	3.89	NA	NA	0.04	NA	0.79
Piperonylonitrile	ME714355	0.14	0.26	0.20	3.98	NA	NA	0.15	NA	0.70
D-(+)-Pyroglutamic Acid	ME713981	0.30	0.13	0.32	3.95	NA	NA	0.07	NA	0.54
lentiginosine	ME714026	0.16	0.10	0.41	3.97	NA	NA	0.02	NA	0.72
N-Methylpyrrolidone	ME713941	0.19	0.19	0.36	3.89	NA	NA	0.05	NA	0.68
Ga	ME714601	0.33	0.22	0.14	4.17	NA	NA	0.04	NA	0.22
N-(4-Methyl-5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)butanamide	ME714171	0.16	0.30	0.23	4.19	NA	NA	0.01	NA	0.24
NP-018348	ME714890	0.21	0.19	0.22	4.23	NA	NA	0.04	NA	0.25
Boc-Asn-ONp	ME713545	0.23	0.22	0.27	4.15	NA	NA	0.00	NA	0.27
Vigabatrin	ME713588	0.24	0.19	0.27	4.16	NA	NA	0.03	NA	0.25
2-Amino-6-[(E)-(5-amino-5-carboxy-2-hydroxypentylidene)amino]-5-hydroxyhexanoic acid (non-preferred name)	ME713955	0.16	0.13	0.35	4.11	NA	NA	0.00	NA	0.49
EJ4025000	ME713793	0.16	0.11	0.46	4.04	NA	NA	0.01	NA	0.44
1-acetyl-3-(2-furylmethylene)tetrahydropyrazine-2,5-dione	ME714911	0.15	0.24	0.38	4.01	NA	NA	0.06	NA	0.40
(3S,9aS)-3-(1H-Imidazol-5-ylmethyl)tetrahydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione	ME714414	0.26	0.18	0.33	4.05	NA	NA	0.02	NA	0.34
(-)-salinosporamide A	ME714661	0.20	0.21	0.39	4.05	NA	NA	0.06	NA	0.26
Cyanohydroxy butene	ME713514	0.09	0.06	0.24	4.20	NA	NA	0.01	NA	0.79
DL-Citrulline	ME713606	0.12	0.05	0.12	4.24	NA	NA	0.02	NA	0.93
1-(3-Hydroxypropyl)-2-azetidinecarboxylic acid	ME713517	0.11	0.08	0.22	4.27	NA	NA	0.00	NA	0.63
Biotin l-Sulfoxide	ME713653	0.09	0.07	0.20	4.35	NA	NA	0.01	NA	0.58
val-phe	ME713836	0.10	0.09	0.15	4.44	NA	NA	0.01	NA	0.44
fagaramide	ME713998	0.20	0.10	0.15	4.31	NA	NA	0.03	NA	0.43
glutethimide	ME714195	0.13	0.22	0.15	4.26	NA	NA	0.01	NA	0.48
Cilostazol	ME714699	0.10	0.53	0.06	3.57	NA	NA	0.04	NA	1.45
Etretinate	ME714980	0.21	0.21	0.37	3.41	NA	NA	0.18	NA	1.41
Pleuromutilin	ME714843	0.14	0.14	0.37	3.50	NA	NA	0.09	NA	1.62
Adenine	ME713707	0.09	0.15	0.12	3.72	NA	NA	0.01	NA	1.85
(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	ME715015	0.14	0.29	0.14	3.54	NA	NA	0.05	NA	1.72
Adenosine	ME713499	0.20	0.23	0.22	3.45	NA	NA	0.00	NA	1.83
b-Angelica lactone	ME713788	0.19	0.31	0.17	3.37	NA	NA	0.12	NA	1.82
1-(4-Butylphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine	ME714499	0.38	0.36	0.47	2.61	NA	NA	0.23	NA	2.14
Methyl tyrosinate	ME714442	0.40	0.29	0.38	2.85	NA	NA	0.01	NA	2.14
METIPRANOLOL	ME714771	0.33	0.45	0.37	2.83	NA	NA	0.02	NA	2.00
ELK	ME714958	0.38	0.29	0.83	2.10	NA	NA	0.10	NA	2.69
Cinnamaldehyde	ME714817	0.27	0.36	0.46	2.60	NA	NA	0.03	NA	2.60
L-Histidine	ME714372	0.40	0.37	0.49	2.40	NA	NA	0.13	NA	2.53
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one	ME714611	0.68	2.79	0.52	0.80	NA	NA	0.04	NA	0.39
(+/-)-Tetrabenazine	ME714777	0.69	2.65	0.61	0.88	NA	NA	0.03	NA	0.34
Pramiracetam	ME714432	0.72	2.32	0.84	0.97	NA	NA	0.01	NA	0.28
2^-Deoxyuridine	ME713648	0.49	2.60	0.71	0.93	NA	NA	0.01	NA	0.53
dihydropyranone	ME713994	0.57	2.49	0.70	0.94	NA	NA	0.08	NA	0.52
L-Alanyl-3-{[(3-carbamoyl-2-oxiranyl)carbonyl]amino}-L-alanine	ME713851	0.59	2.44	0.81	0.92	NA	NA	0.01	NA	0.49
aromadendrin	ME714281	0.92	3.31	0.42	0.14	NA	NA	0.01	NA	0.42
Maraniol	ME714446	1.13	3.05	0.32	0.27	NA	NA	0.05	NA	0.42
3-methoxy-4-hydroxyphenylhydracrylic acid	ME714796	0.93	3.01	0.44	0.37	NA	NA	0.16	NA	0.32
ML-236C	ME714757	0.93	2.91	0.63	0.34	NA	NA	0.08	NA	0.28
Perazine	ME714543	1.96	1.38	0.95	0.23	NA	NA	0.69	NA	0.26
9-Hydroxy-10-undecenoic acid	ME714891	2.15	1.54	0.57	0.51	NA	NA	0.23	NA	0.24
Testosterone	ME714989	2.16	1.30	0.73	0.48	NA	NA	0.17	NA	0.50
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate	ME714987	0.88	2.06	0.67	0.66	NA	NA	0.54	NA	0.93
Catramilast	ME714920	1.03	2.02	1.36	0.43	NA	NA	0.04	NA	0.27
2,3-Dinor-11ß-prostaglandin F2a	ME714410	1.10	2.54	0.70	0.48	NA	NA	0.03	NA	0.34
Naringenin	ME714906	1.10	2.28	0.67	0.71	NA	NA	0.07	NA	0.42
3-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethenyl]-2,5-dihydrofuran-2-one	ME714503	1.23	2.32	0.77	0.51	NA	NA	0.01	NA	0.32
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide	ME714838	1.23	2.33	0.64	0.65	NA	NA	0.03	NA	0.28
Abacavir	ME714598	1.48	2.04	0.59	0.73	NA	NA	0.02	NA	0.30
NP-001445	ME714812	1.42	1.83	0.79	0.77	NA	NA	0.07	NA	0.30
thr-ile	ME714830	1.08	1.95	1.08	0.72	NA	NA	0.09	NA	0.25
Î²-Methyl-Î³-decalactone	ME714643	1.17	1.85	0.92	0.71	NA	NA	0.14	NA	0.56
epi-Tulipinolide	ME714839	1.25	1.99	0.87	0.66	NA	NA	0.11	NA	0.34
Shogaol	ME714406	1.20	2.06	0.79	0.71	NA	NA	0.01	NA	0.46
2-Amino-4-{6-[(3-methyl-2-buten-1-yl)amino]-3H-purin-3-yl}butanoic acid	ME714917	1.10	1.98	0.87	0.85	NA	NA	0.05	NA	0.35
Desthiobiotin	ME713824	1.23	1.88	0.76	0.92	NA	NA	0.00	NA	0.41
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME713613	1.13	2.28	0.91	0.34	NA	NA	0.01	NA	0.66
Eucalyptol	ME714866	1.17	2.23	0.82	0.45	NA	NA	0.07	NA	0.57
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid	ME714837	1.33	2.22	0.87	0.36	NA	NA	0.10	NA	0.34
testolic acid	ME714746	1.29	2.28	0.91	0.26	NA	NA	0.10	NA	0.40
(+/-)8-HEPE	ME714585	1.33	2.21	0.90	0.24	NA	NA	0.05	NA	0.58
ostruthin	ME714597	1.34	2.10	1.06	0.25	NA	NA	0.02	NA	0.47
Spermic acid	ME714399	1.33	1.91	1.08	0.27	NA	NA	0.01	NA	0.81
12-oxo-ETE	ME714953	1.39	2.04	0.83	0.32	NA	NA	0.14	NA	0.71
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spiro[cyclopentane-1,2^-naphthalene]-5^-carboxylic acid	ME714016	1.52	2.02	0.89	0.29	NA	NA	0.04	NA	0.50
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid	ME714088	1.52	2.03	0.89	0.29	NA	NA	0.02	NA	0.51
(4R,6R)-4-Hydroxy-6-{2-[(1R,2R,3S,6R,8aR)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}tetrahydro-2H-pyran-2-one	ME714824	1.36	1.95	1.03	0.35	NA	NA	0.08	NA	0.54
Ethinylestradiol	ME714875	1.42	1.84	0.97	0.42	NA	NA	0.06	NA	0.64
RI2735000	ME714028	1.41	1.61	0.98	0.58	NA	NA	0.45	NA	0.40
tetrahydrocortisol	ME714686	1.54	1.48	1.17	0.65	NA	NA	0.03	NA	0.28
NP-004038	ME714679	1.61	1.55	1.00	0.55	NA	NA	0.12	NA	0.46
Pseudoconhydrine	ME715018	1.64	1.54	0.94	0.64	NA	NA	0.07	NA	0.40
2-MeO-E1	ME714650	1.47	1.65	1.18	0.38	NA	NA	0.03	NA	0.61
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid	ME713668	1.39	1.79	1.21	0.37	NA	NA	0.01	NA	0.46
Broussonin C	ME714078	1.39	1.82	1.19	0.37	NA	NA	0.00	NA	0.44
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~5,9~]nonadeca-5(9),6,10-trien-17-ol	ME714798	1.56	1.76	1.07	0.37	NA	NA	0.04	NA	0.42
8-Hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.0~1,10~.0~4,9~.0~14,16~]heptadecan-6-one	ME714821	1.44	1.88	1.07	0.39	NA	NA	0.05	NA	0.38
5-(4-carboxy-3-methylbutyl)-5,6,8a-trimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid	ME714850	1.33	1.99	0.98	0.48	NA	NA	0.09	NA	0.36
Asarone	ME714324	1.38	1.82	0.99	0.60	NA	NA	0.07	NA	0.33
NP-005397	ME714534	1.37	1.75	1.01	0.65	NA	NA	0.08	NA	0.35
cis-3-(carboxyethyl)-3,5-cyclohexadiene-1,2-diol	ME714737	1.26	1.74	1.11	0.58	NA	NA	0.25	NA	0.36
4a-Hydroxy-2-methoxy-7,7,8b-trimethyldecahydrocyclopropa[4,5]indeno[5,6-c]furan-5-yl acetate	ME714790	1.33	1.71	1.10	0.64	NA	NA	0.11	NA	0.33
5-Hexyl-2-oxotetrahydro-3-furancarboxylic acid	ME714167	1.28	1.68	1.13	0.64	NA	NA	0.14	NA	0.40
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0Âa,Âaâ°.0â´,âa]hexadec-10-ene-5-carboxylic acid	ME713802	1.69	2.09	0.69	0.15	NA	NA	0.00	NA	0.76
3-Hydroxynonanoic acid	ME714415	1.94	1.95	0.61	0.21	NA	NA	0.05	NA	0.53
L-decyline	ME715024	1.74	2.28	0.28	0.50	NA	NA	0.09	NA	0.31
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate	ME714609	1.52	2.36	0.67	0.37	NA	NA	0.02	NA	0.16
(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid	ME713988	1.50	2.45	0.54	0.20	NA	NA	0.06	NA	0.56
N-(2,6-Diaminohexanoyl)glutamine	ME714258	1.53	2.35	0.81	0.08	NA	NA	0.00	NA	0.46
(1S,4aS,5R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid	ME714183	1.37	2.41	0.74	0.23	NA	NA	0.02	NA	0.49
8-(3-Heptyl-2-oxiranyl)-1-hydroxy-4,6-octadiyn-3-one	ME713791	1.51	2.33	0.67	0.27	NA	NA	0.01	NA	0.44
Taxifolin	ME714711	1.54	2.62	0.37	0.27	NA	NA	0.04	NA	0.36
MFCD00065806	ME713912	1.15	2.68	0.60	0.30	NA	NA	0.01	NA	0.53
Prunin	ME714309	1.29	2.71	0.62	0.16	NA	NA	0.02	NA	0.43
5-hydroxyindole acetaldehyde	ME714724	0.47	0.62	0.86	1.49	NA	NA	0.04	NA	3.08
Phosphoric acid	ME713727	0.64	0.64	0.74	1.46	NA	NA	0.11	NA	2.95
1,7-Dihydroxy-6,6-dimethyl-3,5,5a,6,7,8,9a,9b-octahydronaphtho[1,2-c]furan-9(1H)-one	ME714869	0.67	0.29	1.23	1.57	NA	NA	0.31	NA	2.18
Creatine	ME713574	1.00	0.75	0.68	1.37	NA	NA	0.00	NA	2.40
Valine	ME713506	0.89	0.95	0.93	1.00	NA	NA	0.01	NA	2.47
Glycidyl methacrylate	ME713828	0.85	0.85	1.07	1.14	NA	NA	0.00	NA	2.17
Phthalic acid	ME713754	0.84	0.94	0.87	1.16	NA	NA	0.03	NA	2.33
ser-trp	ME714683	0.87	0.97	0.91	1.12	NA	NA	0.01	NA	2.23
DL-Histidine	ME714567	0.52	1.05	0.61	1.62	NA	NA	0.20	NA	2.20
Nicotinamide	ME713569	0.79	0.63	0.91	1.67	NA	NA	0.01	NA	1.99
6-Methylquinoline	ME713486	0.78	0.74	0.97	1.52	NA	NA	0.00	NA	1.97
(E)-2-Decene-4,6,8-triyn-1-ol	ME714368	0.77	0.73	0.93	1.57	NA	NA	0.01	NA	1.99
4-Methylene-2-oxoglutarate	ME714440	0.69	0.77	0.75	1.70	NA	NA	0.05	NA	2.15
Harmalane	ME714395	0.75	0.70	0.87	1.52	NA	NA	0.06	NA	2.25
Methyl 11-(6-oxabicyclo[3.1.0]hex-2-yl)undecanoate	ME714849	0.86	0.45	0.68	1.65	NA	NA	0.14	NA	2.60
Methyl alpha-aspartylphenylalaninate	ME714701	0.61	0.64	0.70	1.80	NA	NA	0.03	NA	2.45
Hypoxanthine	ME713546	0.63	0.82	0.74	1.59	NA	NA	0.00	NA	2.44
Inosine	ME713541	0.70	0.73	0.70	1.66	NA	NA	0.00	NA	2.44
3-(2,4-Dihydroxy-3,5-dimethoxyphenyl)propanoic acid	ME713710	0.40	1.46	0.39	2.12	NA	NA	0.01	NA	1.25
DL-Glutamine	ME714147	0.76	0.51	0.80	2.27	NA	NA	0.03	NA	1.30
(R)-Salsolinol	ME714045	0.73	0.69	0.73	2.12	NA	NA	0.00	NA	1.46
1-Methylhistidine	ME713939	0.66	0.71	0.68	2.33	NA	NA	0.01	NA	1.25
Ro 20-1724	ME714540	0.70	0.75	0.74	2.18	NA	NA	0.01	NA	1.25
Cytidine	ME713724	0.70	0.67	0.71	2.03	NA	NA	0.00	NA	1.78
N-Acetylserotonin	ME714653	0.72	0.64	0.80	2.02	NA	NA	0.02	NA	1.62
Guanine	ME714031	0.61	0.56	0.67	2.20	NA	NA	0.01	NA	1.92
Isoputreanine	ME713762	0.51	0.49	0.69	2.42	NA	NA	0.01	NA	1.75
1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine	ME714202	0.68	0.90	0.85	1.97	NA	NA	0.01	NA	1.17
indospicine	ME713635	0.59	0.96	1.00	1.95	NA	NA	0.00	NA	1.02
Sorbic acid	ME714397	0.64	0.92	1.08	1.79	NA	NA	0.04	NA	1.10
cis-2-Carboxycyclohexyl-acetic acid	ME714233	0.80	0.85	0.79	1.65	NA	NA	0.28	NA	1.56
3-Hydroxy-2,4,5-pyridinetrimethanol	ME713852	0.86	0.74	0.88	1.84	NA	NA	0.02	NA	1.32
methaphenilene	ME714639	0.81	0.73	0.89	1.78	NA	NA	0.02	NA	1.57
4^-Methoxy-3-morpholino-propiophenone	ME714858	0.45	0.64	0.39	3.26	NA	NA	0.05	NA	0.47
N-[(5E)-5-Nonenoyl]glycine	ME714290	0.48	0.58	0.40	3.27	NA	NA	0.02	NA	0.51
2^-O-Methyladenosine	ME714674	0.51	0.55	0.45	3.21	NA	NA	0.02	NA	0.52
Oxaceprol	ME714230	0.47	0.52	0.45	3.25	NA	NA	0.02	NA	0.59
3,3^-(2,2^-Dihydroxy-4,4^-biphenyldiyl)bis(2-aminopropanoic acid) (non-preferred name)	ME714905	0.33	0.62	0.44	3.26	NA	NA	0.02	NA	0.67
Supinine	ME714064	0.32	0.68	0.41	3.34	NA	NA	0.01	NA	0.52
gamma-Glutamyl-S-allylcysteine	ME713875	0.39	0.79	0.43	3.07	NA	NA	0.01	NA	0.64
N-[(5-Hydroxy-1H-indol-3-yl)acetyl]glycine	ME714052	0.34	0.83	0.39	3.12	NA	NA	0.01	NA	0.62
MFCD00056023	ME714829	0.24	0.81	0.31	3.34	NA	NA	0.05	NA	0.55
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid	ME714533	0.29	0.93	0.40	3.15	NA	NA	0.06	NA	0.40
3-oxo-C12-HSL	ME714411	0.42	0.79	0.36	3.18	NA	NA	0.02	NA	0.47
CYCLO(-SER-TYR)	ME713737	0.32	0.79	0.43	3.28	NA	NA	0.00	NA	0.35
Osthol	ME714082	0.26	0.63	0.52	3.15	NA	NA	0.01	NA	0.86
Trideca-1,3,5-triene-7,9,11-triyne	ME714665	0.16	0.60	0.63	3.32	NA	NA	0.02	NA	0.58
Taurocholic acid	ME714002	0.46	0.17	0.80	3.14	NA	NA	0.03	NA	0.83
Cefazolin	ME714184	0.68	0.11	0.51	3.39	NA	NA	0.01	NA	0.62
.alpha.-Apocholic acid	ME714822	0.55	0.23	0.61	3.26	NA	NA	0.11	NA	0.57
Iprofenin	ME714391	0.53	0.30	0.56	3.32	NA	NA	0.06	NA	0.52
(3R)-3-[(3R,5S)-7-Oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]seryl-(3S)-3-[(3R,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl]serine	ME713595	0.60	0.22	0.65	3.20	NA	NA	0.01	NA	0.66
WMH	ME713826	0.69	0.26	0.64	3.14	NA	NA	0.00	NA	0.54
Bufotalin	ME714666	0.77	0.43	0.45	3.02	NA	NA	0.18	NA	0.49
2-Hydroxy-1-(6-hydroxy-2-isopropenyl-2,3-dihydro-1-benzofuran-5-yl)ethanone	ME714895	0.54	0.32	0.61	3.20	NA	NA	0.21	NA	0.45
(3aR,4aS,5R,6S,8S,9aR)-5,6-dihydroxy-4a,8-dimethyl-3-methylidene-dodecahydroazuleno[6,5-b]furan-2-one	ME714742	0.45	0.40	0.61	3.27	NA	NA	0.19	NA	0.38
N-Acetylleucylleucine	ME714379	0.60	0.53	0.53	3.10	NA	NA	0.01	NA	0.46
2-Acetamidooctanoic acid	ME713654	0.61	0.48	0.59	3.08	NA	NA	0.00	NA	0.48
(3E)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME714826	0.59	0.50	0.60	3.08	NA	NA	0.02	NA	0.44
Formyl-5-hydroxykynurenamine	ME714386	0.53	0.49	0.58	3.17	NA	NA	0.01	NA	0.46
Isopropyl methoxy pyrazine	ME715023	0.57	0.53	0.54	3.13	NA	NA	0.07	NA	0.40
S-3-oxodecanoyl cysteamine	ME714040	0.56	0.53	0.58	3.13	NA	NA	0.01	NA	0.40
1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone	ME713734	0.61	0.36	0.64	3.14	NA	NA	0.01	NA	0.52
atractylenolide I	ME714894	0.60	0.39	0.63	3.15	NA	NA	0.03	NA	0.44
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl acetate	ME713925	0.53	0.46	0.59	3.13	NA	NA	0.05	NA	0.54
Daidzein	ME714102	0.54	0.47	0.65	3.10	NA	NA	0.00	NA	0.47
Bufexamac	ME714419	0.55	0.42	0.66	3.10	NA	NA	0.01	NA	0.53
Pentifylline	ME713755	0.55	0.44	0.63	3.12	NA	NA	0.01	NA	0.50
2,4,6-Octatriyn-1-ol	ME714319	0.36	0.51	0.59	3.25	NA	NA	0.01	NA	0.56
Indomethacin Related Compound A	ME715016	0.48	0.42	0.64	3.22	NA	NA	0.07	NA	0.44
(4E)-2-Amino-3-oxo-4-decenoic acid	ME714019	0.49	0.43	0.59	3.24	NA	NA	0.00	NA	0.50
Levetiracetam	ME714270	0.47	0.43	0.62	3.19	NA	NA	0.02	NA	0.56
liquiritigenin	ME714879	0.43	0.44	0.65	3.19	NA	NA	0.06	NA	0.54
2-(Acetylamino)-4-phenylbutanoic acid	ME714619	0.46	0.32	0.73	3.26	NA	NA	0.01	NA	0.44
N-glycoloyl-D-mannosaminolactone	ME713860	0.45	0.45	0.50	3.35	NA	NA	0.00	NA	0.51
N-Hexanoyl-1-(2,3,4,5,6-pentahydroxycyclohexyl)tryptophan	ME714889	0.50	0.45	0.51	3.30	NA	NA	0.02	NA	0.45
BIS-FERULAMIDOBUTANE	ME714527	0.58	0.39	0.53	3.28	NA	NA	0.02	NA	0.44
(-)-(alpha)-Kainic Acid	ME714589	0.53	0.35	0.61	3.30	NA	NA	0.02	NA	0.39
lys-thr	ME714545	0.52	0.35	0.63	3.29	NA	NA	0.04	NA	0.38
heptaminol	ME714276	0.46	0.47	0.58	3.30	NA	NA	0.01	NA	0.36
N(tau)-Methyl-L-histidine	ME713544	0.49	0.43	0.54	3.37	NA	NA	0.00	NA	0.35
glutaral	ME713726	0.55	0.46	0.49	3.32	NA	NA	0.06	NA	0.31
Serotonin	ME713535	0.58	0.46	0.52	3.26	NA	NA	0.01	NA	0.36
N-(4-Oxobutyl)-L-glutamine	ME714744	0.62	0.46	0.71	2.96	NA	NA	0.13	NA	0.37
Troxipide	ME714919	0.54	0.47	0.80	2.98	NA	NA	0.02	NA	0.39
Salbutamol	ME714995	0.57	0.56	0.57	3.15	NA	NA	0.05	NA	0.25
4-(3-Hydroxy-5-methoxyphenyl)-2-butanone	ME714412	0.60	0.57	0.50	3.07	NA	NA	0.13	NA	0.40
cyclobarbital	ME715021	0.55	0.61	0.47	3.13	NA	NA	0.09	NA	0.38
(+/-)-C75	ME714453	0.58	0.60	0.64	2.94	NA	NA	0.11	NA	0.39
(10S)-Juvenile hormone III acid diol	ME714421	0.52	0.60	0.68	2.98	NA	NA	0.01	NA	0.44
Dibenzylamine	ME714194	0.55	0.60	0.61	3.02	NA	NA	0.02	NA	0.41
10-oxo-8-decenoic acid	ME713963	0.58	0.62	0.61	2.96	NA	NA	0.03	NA	0.43
PIVOPRIL	ME714174	0.58	0.61	0.59	2.99	NA	NA	0.03	NA	0.47
1-[2-(Hydroxyamino)phenyl]-1,3-decanedione	ME714984	0.62	0.51	0.62	3.06	NA	NA	0.03	NA	0.35
(2E,4Z)-2,4-Decadienal	ME714066	0.59	0.54	0.64	3.02	NA	NA	0.04	NA	0.40
amtolmetin guacil	ME713880	0.65	0.57	0.61	2.99	NA	NA	0.01	NA	0.36
N~6~,N~6~-Dimethyllysine	ME714632	0.64	0.61	0.62	2.92	NA	NA	0.02	NA	0.40
LT9970000	ME714751	0.49	0.65	0.47	3.13	NA	NA	0.03	NA	0.50
4-(Î²-D-Glucopyranosyloxy)-2,5-dimethyl-3(2H)-furanone	ME713957	0.47	0.70	0.59	2.98	NA	NA	0.02	NA	0.49
5-Amino-6-(4-hydroxybutanoyl)-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one	ME713815	0.54	0.67	0.53	3.05	NA	NA	0.00	NA	0.40
Nadolol	ME713817	0.52	0.63	0.56	3.06	NA	NA	0.00	NA	0.47
Istamycin C1	ME713881	0.51	0.43	0.72	2.99	NA	NA	0.15	NA	0.55
PEG n11	ME714285	0.55	0.47	0.63	2.97	NA	NA	0.23	NA	0.54
PEG n10	ME714001	0.50	0.42	0.62	3.10	NA	NA	0.18	NA	0.53
1,3,5-Heptatriene	ME714887	0.53	0.54	0.53	3.10	NA	NA	0.17	NA	0.45
Leonurine	ME714752	0.55	0.48	0.55	3.06	NA	NA	0.21	NA	0.52
cotinine N-oxide	ME714649	0.42	0.52	0.75	3.05	NA	NA	0.01	NA	0.49
MI5550000	ME714730	0.38	0.57	0.67	3.03	NA	NA	0.11	NA	0.59
1-Isopropyl-4,8-dimethyl-9-oxospiro[4.5]dec-7-en-2-yl acetate	ME714013	0.49	0.66	0.62	2.86	NA	NA	0.02	NA	0.72
6-hydroxypseudooxynicotine	ME714863	0.48	0.57	0.63	2.95	NA	NA	0.04	NA	0.71
Idanpramine	ME714799	0.58	0.47	0.60	3.03	NA	NA	0.03	NA	0.61
metharbital	ME714123	0.56	0.50	0.64	3.01	NA	NA	0.01	NA	0.55
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one	ME714100	0.52	0.60	0.58	3.01	NA	NA	0.03	NA	0.57
N-Phenylacetylglutamine	ME713624	0.54	0.60	0.56	2.96	NA	NA	0.00	NA	0.66
(1S,5R)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl beta-D-glucopyranoside	ME714964	0.49	0.26	0.88	3.08	NA	NA	0.14	NA	0.42
Piceid	ME714823	0.34	0.54	0.95	2.91	NA	NA	0.08	NA	0.45
Cepharadione A	ME714554	0.41	0.63	0.72	3.08	NA	NA	0.02	NA	0.31
N-(2,3,4-Trimethoxybenzoyl)glycine	ME714933	0.38	0.50	0.89	3.10	NA	NA	0.03	NA	0.22
Metalaxyl	ME713642	0.28	0.77	0.22	3.55	NA	NA	0.00	NA	0.36
Mevalonolactone	ME713663	0.50	0.46	0.61	3.34	NA	NA	0.02	NA	0.14
WKK	ME713526	0.45	0.59	0.30	3.49	NA	NA	0.00	NA	0.33
1-O-[2-(Methylamino)benzoyl]-beta-D-glucopyranose	ME714239	0.50	0.60	0.37	3.35	NA	NA	0.01	NA	0.36
Valyl-4-hydroxyproline	ME714286	0.55	0.56	0.36	3.37	NA	NA	0.04	NA	0.25
Glycylglutamine	ME714325	0.54	0.46	0.45	3.42	NA	NA	0.02	NA	0.23
Homocitrulline	ME713942	0.64	0.44	0.38	3.40	NA	NA	0.00	NA	0.29
N-[2-(4,6-Dihydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide	ME714630	0.46	0.44	0.41	3.47	NA	NA	0.18	NA	0.26
riboprine	ME714741	0.55	0.38	0.49	3.36	NA	NA	0.13	NA	0.30
Dehydronorketamine	ME713808	0.14	0.24	0.92	3.44	NA	NA	0.00	NA	0.51
Isoproturon	ME714071	0.44	0.30	0.65	3.48	NA	NA	0.02	NA	0.26
Syringaldehyde	ME714590	0.39	0.29	0.60	3.52	NA	NA	0.13	NA	0.28
8-Amino-7-oxononanoic acid	ME714058	0.27	0.33	0.70	3.52	NA	NA	0.05	NA	0.32
norketamine	ME713550	0.17	0.34	0.79	3.51	NA	NA	0.00	NA	0.38
CYCLOTRIDECANOLIDE	ME714809	0.33	0.33	0.38	3.43	NA	NA	0.17	NA	0.91
RG5927903	ME714884	0.41	0.40	0.35	3.35	NA	NA	0.11	NA	0.87
Cortisone	ME714059	0.31	0.45	0.41	3.40	NA	NA	0.01	NA	0.85
2-Acetamido-4-methylphenyl acetate	ME714464	0.36	0.31	0.46	3.42	NA	NA	0.01	NA	0.89
Thiethylperazine	ME714708	0.37	0.32	0.39	3.49	NA	NA	0.02	NA	0.82
Nopaline	ME713979	0.56	0.46	0.26	3.44	NA	NA	0.01	NA	0.55
phenacemide	ME713669	0.41	0.20	0.36	3.69	NA	NA	0.00	NA	0.68
2-[(8E,11E,14Z)-8,11,14-Heptadecatrien-1-yl]-6-hydroxybenzoic acid	ME714130	0.39	0.19	0.45	3.63	NA	NA	0.01	NA	0.65
quinbolone	ME714244	0.40	0.17	0.45	3.66	NA	NA	0.02	NA	0.62
N-Acetyltyramine	ME713547	0.48	0.29	0.40	3.51	NA	NA	0.00	NA	0.64
Proxyphylline	ME713729	0.48	0.21	0.50	3.50	NA	NA	0.01	NA	0.61
11-Aminoundecanoic acid	ME714621	0.37	0.28	0.50	3.47	NA	NA	0.23	NA	0.53
2-oxo-9-methylthiononanoic acid	ME714888	0.41	0.32	0.60	3.42	NA	NA	0.05	NA	0.45
capuride	ME714787	0.39	0.33	0.59	3.45	NA	NA	0.04	NA	0.45
ecgonone methyl ester	ME713854	0.36	0.39	0.52	3.43	NA	NA	0.05	NA	0.55
Homo-L-arginine	ME713757	0.42	0.36	0.56	3.39	NA	NA	0.00	NA	0.55
butalbital	ME714885	0.40	0.30	0.49	3.51	NA	NA	0.08	NA	0.52
2-Acetyl-4-methylpyridine	ME713733	0.44	0.36	0.43	3.52	NA	NA	0.05	NA	0.46
N-Methylmescaline	ME713999	0.38	0.38	0.48	3.52	NA	NA	0.03	NA	0.44
d-Valerolactam	ME713662	0.36	0.38	0.39	3.58	NA	NA	0.01	NA	0.57
4-[(3-Aminopropyl)amino]butanal	ME713847	0.36	0.32	0.48	3.56	NA	NA	0.00	NA	0.57
Genistein	ME714476	0.33	0.34	0.49	3.58	NA	NA	0.02	NA	0.48
2-Hydroxy-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo(a)quinolizine	ME714738	0.34	0.46	0.43	3.40	NA	NA	0.07	NA	0.70
N-(tert-Butoxycarbonyl)-L-leucine	ME713488	0.35	0.42	0.45	3.46	NA	NA	0.00	NA	0.63
mefexamide	ME714972	0.49	0.45	0.42	3.40	NA	NA	0.08	NA	0.40
R-Soterenol	ME714723	0.41	0.56	0.40	3.40	NA	NA	0.02	NA	0.44
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one	ME714957	0.43	0.47	0.38	3.41	NA	NA	0.08	NA	0.51
Buflomedil	ME714514	0.37	0.46	0.43	3.45	NA	NA	0.04	NA	0.54
(Z)-N-[(2S)-2-{(Z)-[(2S)-2-Amino-1-hydroxy-3-methylbutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]-4-hydroxy-5-phosphononorvaline	ME714470	0.45	0.28	0.53	3.71	NA	NA	0.01	NA	0.06
1-Methylimidazoleacetic acid	ME713573	0.25	0.22	0.59	3.75	NA	NA	0.05	NA	0.35
3-Amino-2-piperidinone	ME713758	0.18	0.13	0.64	3.85	NA	NA	0.05	NA	0.34
QLH	ME714365	0.30	0.49	0.21	3.75	NA	NA	0.02	NA	0.47
AE1300200	ME714586	0.25	0.30	0.45	3.86	NA	NA	0.02	NA	0.26
(2S)-2-Amino-8-oxodecanoic acid	ME714451	0.31	0.27	0.35	3.91	NA	NA	0.09	NA	0.23
Glycyl-L-asparaginyl-D-leucine	ME714315	0.29	0.31	0.34	3.90	NA	NA	0.04	NA	0.29
Talarozole	ME714732	0.32	0.30	0.36	3.86	NA	NA	0.03	NA	0.27
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-diol	ME713736	0.18	0.36	0.32	3.91	NA	NA	0.00	NA	0.46
Teneligliptin	ME714938	0.27	0.35	0.29	3.86	NA	NA	0.03	NA	0.42
7-Octene-3,5-diyn-1-ol	ME713816	0.44	0.24	0.33	3.75	NA	NA	0.01	NA	0.47
tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate	ME713938	0.33	0.24	0.36	3.81	NA	NA	0.01	NA	0.50
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxyphenyl}acetic acid	ME714017	0.28	0.25	0.43	3.79	NA	NA	0.07	NA	0.43
Glycitein	ME714836	0.29	0.24	0.38	3.85	NA	NA	0.06	NA	0.44
N-Hydroxy-8-(methylsulfanyl)octanethioamide	ME714081	0.43	0.37	0.49	3.56	NA	NA	0.01	NA	0.31
1-(2-Carboxyethyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid	ME714954	0.39	0.40	0.40	3.63	NA	NA	0.03	NA	0.33
MFCD01318772	ME714297	0.38	0.45	0.41	3.61	NA	NA	0.05	NA	0.24
Methoxamine	ME714091	0.27	0.40	0.40	3.70	NA	NA	0.04	NA	0.41
Dipivefrin	ME714719	0.33	0.44	0.38	3.71	NA	NA	0.03	NA	0.24
Gabexate	ME714313	0.33	0.38	0.37	3.74	NA	NA	0.02	NA	0.33
Benzylpenicillin	ME714575	0.24	0.32	0.39	3.73	NA	NA	0.10	NA	0.53
(S)-Equol	ME714706	0.29	0.34	0.36	3.68	NA	NA	0.04	NA	0.62
3,4^-Dihydroxy-5,5^-dimethoxybibenzyl	ME714654	0.36	0.38	0.40	3.54	NA	NA	0.18	NA	0.45
epsilon-Caprolactone	ME713543	0.37	0.29	0.41	3.65	NA	NA	0.13	NA	0.43
NP-020632	ME714960	0.31	0.31	0.40	3.66	NA	NA	0.15	NA	0.50
Oxindole	ME714789	0.48	0.58	0.42	2.84	NA	NA	0.15	NA	1.21
3-Methylhistidine	ME713935	0.49	0.43	0.53	2.81	NA	NA	0.03	NA	1.44
Fasoracetam	ME714486	0.46	0.50	0.38	2.94	NA	NA	0.07	NA	1.38
9-Oxo-10(E),12(E)-octadecadienoic acid	ME714481	0.64	0.21	0.73	2.71	NA	NA	0.09	NA	1.32
NP-014287	ME714321	0.58	0.19	0.72	2.83	NA	NA	0.08	NA	1.28
4-Hydroxy-3-nitrosobenzamide	ME713910	0.47	0.39	0.71	2.83	NA	NA	0.01	NA	1.20
L-allysine	ME714099	0.56	0.48	0.65	2.62	NA	NA	0.10	NA	1.28
5-Aminovaleric acid	ME713497	0.60	0.49	0.65	2.65	NA	NA	0.00	NA	1.20
Valaciclovir	ME714103	0.55	0.48	0.61	2.70	NA	NA	0.02	NA	1.28
4-(2-Aminoethyl)phenyl Î²-D-glucopyranosiduronic acid	ME713568	0.50	0.31	0.55	3.13	NA	NA	0.00	NA	1.01
N-(3-Hydroxy-4-methoxybenzoyl)glycine	ME714246	0.50	0.49	0.55	3.03	NA	NA	0.05	NA	0.79
N-Methylglutamine	ME713901	0.50	0.47	0.55	3.00	NA	NA	0.02	NA	0.94
Na-{[(2R)-1-(4-morpholinylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide	ME714348	0.46	0.48	0.57	2.96	NA	NA	0.29	NA	0.77
9-hydroxy-2,10,10-trimethyltricyclo[6.3.0.0Âa,âµ]undec-6-ene-6-carboxylic acid	ME714841	0.45	0.46	0.47	3.14	NA	NA	0.22	NA	0.76
N(1)-acetylspermidine	ME714293	0.49	0.42	0.51	3.18	NA	NA	0.10	NA	0.70
2-Hydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]-4H-pyran-4-one	ME714269	0.43	0.68	0.60	2.81	NA	NA	0.01	NA	0.95
(3E)-3-propylidenephthalide	ME714480	0.45	0.64	0.67	2.76	NA	NA	0.01	NA	0.97
Atropaldehyde	ME714459	0.47	0.67	0.64	2.75	NA	NA	0.02	NA	0.93
Stearidonic acid	ME714835	0.65	0.31	0.67	2.85	NA	NA	0.18	NA	0.85
Fructoselysine	ME714381	0.57	0.47	0.61	2.84	NA	NA	0.08	NA	0.95
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid	ME713934	0.69	0.45	0.60	2.84	NA	NA	0.01	NA	0.86
ANAGESTONE ACETATE	ME713966	0.68	0.44	0.59	2.85	NA	NA	0.01	NA	0.86
4-Hydroxyprolyllysine	ME714350	0.57	0.43	0.87	2.69	NA	NA	0.02	NA	0.84
TCMDC-131928	ME714494	0.70	0.42	0.77	2.60	NA	NA	0.01	NA	1.00
Hydroxylysine	ME713944	0.82	0.91	0.42	2.37	NA	NA	0.10	NA	0.85
Cysteinylcysteine	ME714177	0.36	0.86	0.42	2.78	NA	NA	0.25	NA	0.91
Metaxalone	ME713990	0.36	0.97	0.55	2.64	NA	NA	0.01	NA	0.96
Timonacic	ME714803	0.67	0.95	0.80	2.38	NA	NA	0.09	NA	0.32
val-asn	ME713522	0.65	0.99	0.73	2.43	NA	NA	0.00	NA	0.39
4-Sulfanyldihydro-3(2H)-furanone	ME714101	0.90	0.98	0.59	2.35	NA	NA	0.02	NA	0.34
asn-arg	ME714594	0.86	0.87	0.72	2.37	NA	NA	0.01	NA	0.34
Tetranor-PGDM	ME714268	0.79	0.94	0.66	2.36	NA	NA	0.09	NA	0.42
NS1800000	ME713903	0.84	1.18	0.48	2.36	NA	NA	0.04	NA	0.24
spermidine	ME713804	0.81	1.07	0.64	2.40	NA	NA	0.01	NA	0.18
Harmalol	ME713770	0.74	1.02	0.62	2.56	NA	NA	0.00	NA	0.12
N~6~-Acetyl-5-hydroxylysine	ME714203	0.73	1.03	0.62	2.53	NA	NA	0.01	NA	0.17
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one	ME714691	0.59	1.08	0.50	2.50	NA	NA	0.12	NA	0.54
2-Butyl-6-methoxyphenol	ME714684	0.60	1.02	0.63	2.41	NA	NA	0.22	NA	0.44
EL9600000	ME714785	0.57	0.97	0.62	2.52	NA	NA	0.16	NA	0.47
(2S)-4-Acetamido-2-aminobutanoic acid	ME713926	0.60	0.91	0.58	2.57	NA	NA	0.02	NA	0.67
gln-phe	ME713844	0.60	0.92	0.76	2.46	NA	NA	0.00	NA	0.52
N-(2-Methoxybenzoyl)glycine	ME714090	0.66	0.86	0.73	2.47	NA	NA	0.00	NA	0.56
N-[(3E)-3-Nonenoyl]glycine	ME714347	0.62	0.99	0.67	2.41	NA	NA	0.02	NA	0.59
tyr-thr	ME714634	0.69	0.90	0.64	2.46	NA	NA	0.02	NA	0.60
(±)-Equol	ME714739	0.91	0.83	0.50	2.56	NA	NA	0.07	NA	0.34
DL-TYROSINE	ME714060	0.92	0.85	0.54	2.42	NA	NA	0.01	NA	0.53
Tocainide	ME714748	0.80	0.83	0.60	2.41	NA	NA	0.04	NA	0.67
N-[(1S)-1-Carboxy-2-methylpropyl]-D-glutamic acid	ME714209	0.42	0.95	0.60	2.84	NA	NA	0.01	NA	0.39
Indole-3-acetic-acid-O-glucuronide	ME714616	0.58	0.91	0.54	2.69	NA	NA	0.02	NA	0.54
indoline-2-carboxylic acid	ME714612	0.66	0.80	0.57	2.68	NA	NA	0.03	NA	0.54
N-(indol-3-ylacetyl)glutamine	ME714086	0.63	0.81	0.53	2.76	NA	NA	0.00	NA	0.52
Alizapride	ME713984	0.52	0.88	0.48	2.77	NA	NA	0.00	NA	0.69
Methylphenobarbital	ME714801	0.57	0.87	0.48	2.76	NA	NA	0.02	NA	0.64
NP-001501	ME714782	0.55	0.82	0.55	2.81	NA	NA	0.02	NA	0.52
(8S,9Z)-9-Heptadecene-4,6-diyne-1,8-diol	ME714450	0.48	0.86	0.55	2.83	NA	NA	0.02	NA	0.55
JUVENILE HORMONE II	ME714345	0.47	0.85	0.55	2.84	NA	NA	0.03	NA	0.54
3-[(2Z)-1-Oxo-2-buten-2-yl]pentanedioic acid	ME715003	0.46	0.72	0.49	2.89	NA	NA	0.17	NA	0.71
(6Z,10Z)-4,8-Dihydroxy-6,10-dimethyl-3-methylene-3a,8,9,11a-tetrahydrocyclodeca[b]furan-2,5(3H,4H)-dione	ME714955	0.46	0.66	0.46	3.02	NA	NA	0.32	NA	0.50
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate	ME714929	0.72	0.45	1.03	2.61	NA	NA	0.15	NA	0.23
3-[2-(3-Hydroxyphenyl)ethyl]-5-methoxyphenol	ME714479	0.68	0.56	0.90	2.77	NA	NA	0.01	NA	0.16
Leu-Leu	ME714305	0.71	0.43	0.88	2.85	NA	NA	0.02	NA	0.25
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid	ME713725	0.72	0.46	0.77	2.83	NA	NA	0.07	NA	0.36
MFCD00130070	ME714840	0.76	0.50	0.77	2.83	NA	NA	0.03	NA	0.25
[3-(Hydroxymethyl)-3-methyl-2-oxobicyclo[2.2.1]hept-1-yl]methyl hexopyranoside	ME714098	0.71	0.59	0.98	2.43	NA	NA	0.05	NA	0.52
Meseclazone	ME714416	0.81	0.45	1.06	2.45	NA	NA	0.02	NA	0.43
dopamine	ME714105	0.72	0.36	0.98	2.58	NA	NA	0.02	NA	0.71
N-Acetyl-L-cysteine	ME714600	0.78	0.52	0.87	2.59	NA	NA	0.01	NA	0.47
5-Pentylresorcinol	ME714390	0.79	0.43	0.91	2.60	NA	NA	0.04	NA	0.52
Sulfurol propionate	ME714781	0.76	0.47	0.88	2.59	NA	NA	0.09	NA	0.52
(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid	ME714638	0.81	0.39	0.72	2.69	NA	NA	0.16	NA	0.62
PEG n7	ME713665	0.70	0.51	0.78	2.59	NA	NA	0.18	NA	0.64
PEG n8	ME713696	0.64	0.52	0.83	2.62	NA	NA	0.16	NA	0.59
1-(Diisobutylamino)-3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-2-propanyl benzoate	ME714011	0.91	0.50	0.65	2.71	NA	NA	0.00	NA	0.44
13(S)-HOTrE	ME714389	0.89	0.52	0.65	2.57	NA	NA	0.11	NA	0.63
(2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4^,5^-d]pyran-3a-yl)methyl sulfamate	ME714517	0.97	0.55	0.64	2.57	NA	NA	0.01	NA	0.54
2-Acetylcyclohexanone	ME714074	0.70	0.74	0.60	2.63	NA	NA	0.20	NA	0.45
2444643WXK	ME714568	0.78	0.66	0.59	2.71	NA	NA	0.14	NA	0.41
NP-021018	ME714303	0.70	0.66	0.58	2.75	NA	NA	0.13	NA	0.49
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	ME714764	0.85	0.70	0.66	2.53	NA	NA	0.02	NA	0.49
Flossonol	ME714758	0.83	0.74	0.62	2.54	NA	NA	0.08	NA	0.45
N-(3-acetamidopropyl)pyrrolidin-2-one	ME714584	0.86	0.70	0.62	2.53	NA	NA	0.12	NA	0.44
Quinaprilat	ME714907	0.79	0.63	0.69	2.64	NA	NA	0.03	NA	0.48
Anhalamine	ME714441	0.77	0.66	0.71	2.58	NA	NA	0.06	NA	0.48
coniferyl aldehyde	ME714591	0.77	0.66	0.69	2.60	NA	NA	0.06	NA	0.51
2-Amino-3-(1H-imidazol-4-yl)propanal	ME714232	0.78	0.63	0.72	2.57	NA	NA	0.13	NA	0.48
N-Propanoylimidazole	ME714301	0.77	0.59	0.70	2.60	NA	NA	0.13	NA	0.54
N-(3-Methoxybenzoyl)glycine	ME714210	0.78	0.64	0.73	2.65	NA	NA	0.01	NA	0.40
delta-Valerolactone	ME713629	0.77	0.54	0.73	2.70	NA	NA	0.01	NA	0.49
N-[(5E)-2-Hydroxy-5-octenoyl]glycine	ME714257	0.83	0.56	0.69	2.68	NA	NA	0.02	NA	0.47
N~2~-(Carboxymethyl)arginine	ME714084	0.77	0.77	0.62	2.64	NA	NA	0.00	NA	0.39
1-(Methylnitrosoamino)-4-(3-pyridinyl)-1,4-butanediol	ME713812	0.79	0.74	0.69	2.58	NA	NA	0.00	NA	0.38
8-Azabicyclo[3.2.1]octane-1,2,4,7-tetrol	ME714692	0.77	0.72	0.71	2.60	NA	NA	0.06	NA	0.34
Resacetophenone	ME714311	0.71	0.65	0.72	2.67	NA	NA	0.12	NA	0.40
4-Methylcarbostyril	ME714936	0.68	0.73	0.67	2.64	NA	NA	0.14	NA	0.43
Nandrolone	ME714735	0.66	0.73	0.70	2.63	NA	NA	0.09	NA	0.46
L-3-hydroxykynurenine	ME714477	0.68	0.71	0.73	2.60	NA	NA	0.05	NA	0.49
Sulfacytine	ME714462	0.69	0.71	0.70	2.66	NA	NA	0.01	NA	0.47
Bucillamine	ME713894	0.72	0.68	0.74	2.64	NA	NA	0.00	NA	0.45
NP-013210	ME714775	0.71	0.70	0.75	2.62	NA	NA	0.02	NA	0.41
2-({6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-D-glucopyranosyl}oxy)-2-methylbutanenitrile	ME714851	0.70	0.76	0.73	2.61	NA	NA	0.02	NA	0.39
(2S)-2-Amino-4-hexynoic acid	ME713790	0.71	0.78	0.74	2.53	NA	NA	0.03	NA	0.43
1-heptadecen-4,6-diyn-3,9,10-triol	ME714635	0.53	0.66	0.88	2.57	NA	NA	0.10	NA	0.63
ibufenac	ME714256	0.58	0.70	0.82	2.59	NA	NA	0.01	NA	0.61
(2Z)-3-(1,3-Benzodioxol-5-yl)acrylaldehyde	ME713478	0.71	0.64	0.76	2.49	NA	NA	0.00	NA	0.80
Phenylacetylglycine	ME713475	0.68	0.70	0.73	2.51	NA	NA	0.00	NA	0.76
QV1MVO1R	ME713542	0.70	0.73	0.70	2.50	NA	NA	0.00	NA	0.73
MFCD00025555	ME713659	0.64	0.70	0.75	2.55	NA	NA	0.00	NA	0.72
Otonecine	ME713658	0.63	0.69	0.80	2.52	NA	NA	0.00	NA	0.71
6-Ethyl-5-{3-[2-(trifluoromethyl)phenoxy]propoxy}-2,4(1H,3H)-pyrimidinediimine	ME714125	0.78	0.72	0.71	2.43	NA	NA	0.01	NA	0.72
2-Acetyl-1-methylpyrrole	ME714552	0.78	0.66	0.69	2.50	NA	NA	0.05	NA	0.69
DL-Cerulenin	ME714228	0.78	0.60	0.74	2.53	NA	NA	0.01	NA	0.69
asp-leu	ME713798	0.79	0.61	0.83	2.45	NA	NA	0.01	NA	0.64
Cinchonan-9-ol	ME714657	0.76	0.61	0.85	2.46	NA	NA	0.01	NA	0.62
L-gamma-Glutamyl-L-leucine	ME713785	0.72	0.63	0.87	2.47	NA	NA	0.00	NA	0.61
N-Acetylvaline	ME713530	0.77	0.62	0.87	2.47	NA	NA	0.00	NA	0.57
noradrenaline	ME714469	0.78	0.57	0.79	2.58	NA	NA	0.07	NA	0.49
4-Methyl-12-oxa-4-azapentacyclo[9.6.1.0~1,13~.0~5,17~.0~7,18~]octadeca-7(18),8,10,15-tetraene-10,14-diol 4-oxide	ME714288	0.70	0.64	0.84	2.57	NA	NA	0.00	NA	0.50
4,6-Dimethyl-2(1H)-pyrimidinone	ME714003	0.76	0.63	0.83	2.49	NA	NA	0.07	NA	0.51
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	ME713982	0.75	0.64	0.86	2.52	NA	NA	0.02	NA	0.46
Gly-His	ME714272	0.77	0.62	0.81	2.55	NA	NA	0.02	NA	0.46
HC Blue 1	ME714622	0.79	0.59	0.82	2.55	NA	NA	0.01	NA	0.48
Deferiprone	ME713681	0.72	0.64	0.75	2.61	NA	NA	0.02	NA	0.55
N-[(5S)-5-Amino-5-carboxypentanoyl]cysteinyl-D-valine	ME714445	0.75	0.59	0.77	2.61	NA	NA	0.01	NA	0.58
L-Prolinamide	ME713705	0.75	0.63	0.72	2.58	NA	NA	0.03	NA	0.61
Streptamine	ME714015	0.75	0.65	0.75	2.55	NA	NA	0.04	NA	0.55
2-[(5-Hydroxy-1H-indol-3-yl)methyl]-1,3-thiazolidine-4-carboxylic acid	ME714784	0.79	0.67	0.76	2.52	NA	NA	0.01	NA	0.50
ARECOLINE	ME714310	0.76	0.71	0.75	2.52	NA	NA	0.01	NA	0.50
tetrahomomethionine	ME714473	0.76	0.71	0.79	2.50	NA	NA	0.02	NA	0.48
4-{[3-(Hydroxymethyl)phenyl]amino}-N-(isopropylcarbamoyl)-3-pyridinesulfonamide	ME714343	0.73	0.71	0.75	2.56	NA	NA	0.01	NA	0.49
4-Hydroxyprolylvaline	ME713565	0.72	0.74	0.71	2.56	NA	NA	0.00	NA	0.52
IN00105	ME713766	0.72	0.69	0.76	2.55	NA	NA	0.00	NA	0.55
Thiorphan	ME713566	0.70	0.72	0.78	2.54	NA	NA	0.00	NA	0.53
8-Hydroxy-5,8a-dimethyl-3-methylene-3a,4,4a,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one	ME714794	0.73	0.72	0.73	2.52	NA	NA	0.05	NA	0.54
Methyl 3-[(2,2-dimethylbutanoyl)thio]propanoate	ME714977	0.76	0.71	0.72	2.53	NA	NA	0.02	NA	0.53
Cinnamoylglycine	ME714110	0.76	0.71	0.73	2.52	NA	NA	0.00	NA	0.55
Val-pro	ME713706	0.74	0.71	0.74	2.53	NA	NA	0.00	NA	0.55
1â€²-Acetoxyeugenol acetate	ME714361	0.69	0.69	0.80	2.52	NA	NA	0.02	NA	0.58
eucommiol	ME714253	0.72	0.66	0.82	2.51	NA	NA	0.02	NA	0.57
Ethosuximide	ME714063	0.72	0.66	0.77	2.55	NA	NA	0.02	NA	0.58
Maculosin	ME714408	0.71	0.65	0.77	2.56	NA	NA	0.01	NA	0.61
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME714039	0.71	0.68	0.77	2.52	NA	NA	0.02	NA	0.62
Theobromine	ME714179	0.71	0.69	0.75	2.53	NA	NA	0.01	NA	0.62
6-Acetamido-2-oxohexanoic acid	ME714023	0.70	0.67	0.80	2.50	NA	NA	0.03	NA	0.64
Paprazine	ME714629	0.72	0.68	0.79	2.50	NA	NA	0.02	NA	0.62
acetophenazine	ME714857	0.78	0.64	0.81	2.49	NA	NA	0.02	NA	0.56
Phenylisocyanate	ME713576	0.82	0.66	0.76	2.49	NA	NA	0.00	NA	0.56
Captopril	ME714200	0.77	0.70	0.81	2.46	NA	NA	0.01	NA	0.53
1,4-Dihydro-4-imino-1-Î²-D-ribofuranosyl-3-pyridinecarboxylic acid	ME713564	0.77	0.69	0.77	2.49	NA	NA	0.00	NA	0.56
2^-deoxymugineic acid	ME713753	0.74	0.71	0.76	2.48	NA	NA	0.00	NA	0.61
N6-threonylcarbamoyladenosine	ME713581	0.76	0.72	0.76	2.47	NA	NA	0.00	NA	0.59
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one	ME714000	0.73	0.59	0.82	2.32	NA	NA	0.42	NA	0.66
(6R,8Z)-6-Hydroxy-3-oxo-8-tetradecenoic acid	ME714806	0.77	0.64	0.76	2.43	NA	NA	0.29	NA	0.52
2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(2-phenylethyl)benzoic acid	ME713978	0.73	0.58	0.80	2.44	NA	NA	0.33	NA	0.56
Furaneol	ME714518	0.67	0.64	0.81	2.42	NA	NA	0.34	NA	0.58
L-Pyroglutamic acid	ME714513	0.70	0.66	0.81	2.46	NA	NA	0.19	NA	0.56
Mesalazine	ME714844	0.73	0.62	0.80	2.44	NA	NA	0.13	NA	0.69
PEG n12	ME714330	0.76	0.61	0.77	2.42	NA	NA	0.21	NA	0.67
MFCD00048696	ME714935	0.66	0.72	0.93	2.36	NA	NA	0.23	NA	0.44
4beta-Phorbol	ME714377	0.69	0.68	0.86	2.48	NA	NA	0.13	NA	0.43
4-Butylresorcinol	ME714359	0.58	0.80	0.84	2.46	NA	NA	0.18	NA	0.47
Diethanolamine	ME713641	0.71	0.78	0.72	2.41	NA	NA	0.15	NA	0.60
n-heptanoic acid	ME713744	0.90	0.72	0.70	2.37	NA	NA	0.18	NA	0.45
Acetanisole	ME714714	0.77	0.69	0.77	2.46	NA	NA	0.24	NA	0.36
2-(1-Carboxyethyl)-5-methylcyclopentanecarboxylic acid	ME713904	0.71	0.79	0.78	2.44	NA	NA	0.16	NA	0.41
Verimol J	ME714146	0.75	0.82	0.72	2.43	NA	NA	0.17	NA	0.37
2-Phenylethyl D-glucopyranoside	ME714332	0.78	0.79	0.67	2.45	NA	NA	0.16	NA	0.48
5-Pentyl-1,4-dioxan-2-one	ME714235	0.80	0.73	0.78	2.42	NA	NA	0.10	NA	0.45
Z-Maleylacetic acid	ME714762	0.75	0.73	0.75	2.44	NA	NA	0.13	NA	0.52
PEG n13	ME714779	0.63	0.53	0.64	2.73	NA	NA	0.28	NA	0.65
3-Oxooctanoic acid	ME714096	0.57	0.71	0.62	2.84	NA	NA	0.22	NA	0.30
1-(2,2-Dimethyl-2H-chromen-6-yl)ethanol	ME715009	0.61	0.67	0.62	2.94	NA	NA	0.13	NA	0.18
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid	ME714306	0.62	0.59	0.70	2.88	NA	NA	0.13	NA	0.30
asn-val	ME714637	0.66	0.73	0.71	2.79	NA	NA	0.01	NA	0.19
N1-(2-amino-2-oxoethyl)-2-phenoxyacetamide	ME714871	0.74	0.72	0.61	2.74	NA	NA	0.03	NA	0.37
meprobamate	ME714238	0.63	0.74	0.71	2.75	NA	NA	0.01	NA	0.33
N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]acetamide	ME714283	0.63	0.75	0.63	2.79	NA	NA	0.02	NA	0.40
9-(alpha-D-glucosyl)dihydrozeatin	ME713778	0.65	0.68	0.70	2.77	NA	NA	0.00	NA	0.39
pro-trp	ME713612	0.69	0.65	0.65	2.80	NA	NA	0.01	NA	0.42
1-(4-Amino-4-carboxybutanoyl)-2-piperidinecarboxylic acid	ME714371	0.66	0.82	0.66	2.64	NA	NA	0.08	NA	0.36
(6R,7S)-6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methyl-2-butenoate	ME714688	0.55	0.81	0.71	2.70	NA	NA	0.02	NA	0.43
SOLERONE	ME714094	0.49	0.55	0.81	2.74	NA	NA	0.12	NA	0.68
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one	ME713886	0.51	0.54	0.77	2.85	NA	NA	0.01	NA	0.67
Triacetin	ME713590	0.52	0.61	0.75	2.80	NA	NA	0.00	NA	0.64
Sepiapterin	ME714193	0.60	0.38	0.85	2.89	NA	NA	0.00	NA	0.56
Picolinamide	ME713602	0.59	0.35	0.83	2.84	NA	NA	0.04	NA	0.74
RLK	ME714104	0.66	0.43	0.74	2.84	NA	NA	0.01	NA	0.66
histidinol	ME713538	0.56	0.75	0.68	2.66	NA	NA	0.00	NA	0.69
libenzapril	ME714810	0.64	0.78	0.66	2.56	NA	NA	0.06	NA	0.67
N-Glycolylneuraminic acid	ME714049	0.69	0.69	0.71	2.60	NA	NA	0.00	NA	0.61
DL-Phenylalanine	ME714021	0.68	0.72	0.67	2.61	NA	NA	0.01	NA	0.63
Nordefrin	ME714007	0.67	0.73	0.67	2.60	NA	NA	0.02	NA	0.63
3-Methylcrotonylglycine	ME714158	0.59	0.65	0.65	2.70	NA	NA	0.04	NA	0.76
Vitamin C	ME714278	0.60	0.64	0.67	2.67	NA	NA	0.01	NA	0.82
3,4-Methylenedioxyamphetamine	ME714721	0.72	0.66	0.57	2.73	NA	NA	0.03	NA	0.62
cyproheptadine	ME713676	0.71	0.59	0.63	2.76	NA	NA	0.00	NA	0.63
4-[2-(2-methylphenyl)-2-oxoethyl]benzamide	ME713553	0.63	0.67	0.65	2.73	NA	NA	0.00	NA	0.63
Cytosine	ME713490	0.67	0.67	0.60	2.71	NA	NA	0.00	NA	0.72
NP-001346	ME713738	0.66	0.54	0.72	2.75	NA	NA	0.00	NA	0.66
Triisopropanolamine	ME713752	0.68	0.60	0.68	2.69	NA	NA	0.05	NA	0.66
4-Hydroxyprolylleucine	ME713640	0.68	0.59	0.77	2.63	NA	NA	0.00	NA	0.67
nicotianamine	ME713970	0.69	0.62	0.71	2.65	NA	NA	0.00	NA	0.67
Dihyroxy-1H-indole glucuronide I	ME713671	0.73	0.52	0.86	2.71	NA	NA	0.00	NA	0.38
DG8734020	ME714587	0.64	0.52	0.80	2.74	NA	NA	0.17	NA	0.43
2-Oxo-6-pentyltetrahydro-2H-pyran-3-carboxylic acid	ME714133	0.65	0.58	0.86	2.70	NA	NA	0.09	NA	0.32
(2E)-decenoic acid	ME714068	0.60	0.57	0.80	2.82	NA	NA	0.04	NA	0.40
2-(1,2-Dihydroxy-2-propanyl)-6,10-dimethylspiro[4.5]dec-6-en-8-one	ME714864	0.60	0.60	0.80	2.78	NA	NA	0.05	NA	0.41
Glycerol 5-hydroxydecanoate	ME714333	0.61	0.58	0.82	2.76	NA	NA	0.07	NA	0.39
aceprometazine	ME714557	0.66	0.47	0.87	2.74	NA	NA	0.01	NA	0.50
IBMX	ME714216	0.62	0.48	0.88	2.77	NA	NA	0.03	NA	0.47
Ne-Acetyllysine	ME713787	0.61	0.53	0.83	2.74	NA	NA	0.00	NA	0.58
Pheneturide	ME714344	0.65	0.53	0.80	2.74	NA	NA	0.01	NA	0.54
Pro-Pro	ME713715	0.70	0.51	0.77	2.76	NA	NA	0.00	NA	0.51
N-Acetylnorvaline	ME713527	0.64	0.51	0.76	2.81	NA	NA	0.00	NA	0.55
Valclavam	ME714159	0.67	0.53	0.70	2.83	NA	NA	0.01	NA	0.52
Carbofuran	ME714916	0.72	0.53	0.80	2.66	NA	NA	0.02	NA	0.56
YK6000000	ME713952	0.65	0.62	0.80	2.61	NA	NA	0.09	NA	0.54
Artemether	ME714901	0.61	0.57	0.77	2.71	NA	NA	0.08	NA	0.59
Cyclopentanone	ME714489	0.66	0.57	0.79	2.68	NA	NA	0.08	NA	0.55
DL-a-Aminocaprylic acid	ME714558	0.72	0.59	0.75	2.72	NA	NA	0.01	NA	0.43
Kynurenine	ME714644	0.64	0.65	0.78	2.69	NA	NA	0.03	NA	0.45
N-[(2S)-2-Hydroxypropanoyl]-L-tryptophan	ME714668	0.70	0.61	0.80	2.65	NA	NA	0.01	NA	0.45
DL-Glutamic acid	ME714243	0.69	0.59	0.80	2.67	NA	NA	0.03	NA	0.49
Bumadizone	ME714615	0.68	0.63	0.77	2.67	NA	NA	0.02	NA	0.48
COSMENE	ME714254	0.69	0.61	0.77	2.65	NA	NA	0.04	NA	0.51
Xanthurenic acid	ME713496	0.64	0.58	0.74	2.76	NA	NA	0.00	NA	0.58
4-Amino-DL-phenylalanine	ME714433	0.64	0.62	0.68	2.78	NA	NA	0.01	NA	0.55
L-Glutaminyl-L-Leucine	ME713585	0.65	0.61	0.70	2.76	NA	NA	0.00	NA	0.55
(2S)-2-Acetamido-4-aminobutanoic acid	ME713915	0.71	0.57	0.75	2.70	NA	NA	0.01	NA	0.52
2^-Deoxycytidine	ME713487	0.68	0.63	0.70	2.71	NA	NA	0.00	NA	0.56
1-Methylinosine	ME713675	0.66	0.61	0.74	2.71	NA	NA	0.00	NA	0.55
S-Benzyl-D-cysteine	ME714334	0.67	0.62	0.73	2.72	NA	NA	0.01	NA	0.51
1-Methylguanine	ME714041	0.68	0.61	0.72	2.73	NA	NA	0.00	NA	0.54
2-Hydroxyethylclavam	ME713519	0.68	0.60	0.72	2.73	NA	NA	0.00	NA	0.52
N-(Carboxyacetyl)phenylalanine	ME713838	0.63	0.61	0.78	2.68	NA	NA	0.00	NA	0.59
MFCD10024834	ME713684	0.67	0.59	0.71	2.72	NA	NA	0.00	NA	0.62
Lisofylline	ME714180	0.67	0.59	0.74	2.70	NA	NA	0.03	NA	0.57
N-(1H-Indol-3-ylcarbonyl)glycine	ME714457	0.69	0.59	0.73	2.67	NA	NA	0.02	NA	0.60
Biopterin	ME713597	0.62	0.69	0.67	2.77	NA	NA	0.00	NA	0.48
Droxidopa	ME713677	0.64	0.64	0.74	2.75	NA	NA	0.00	NA	0.47
7-Methylguanine	ME713483	0.67	0.65	0.70	2.74	NA	NA	0.00	NA	0.48
Macelignan	ME714114	0.67	0.67	0.69	2.71	NA	NA	0.01	NA	0.50
Ichthyotherol	ME714314	0.62	0.73	0.67	2.70	NA	NA	0.03	NA	0.53
a-Aspartylphenylalanine	ME714037	0.68	0.68	0.70	2.66	NA	NA	0.00	NA	0.55
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol	ME713513	0.67	0.68	0.70	2.68	NA	NA	0.00	NA	0.53
N2-Dimethylguanosine	ME713626	0.67	0.66	0.72	2.68	NA	NA	0.00	NA	0.53
Methyl 5-(hydroxymethyl)-3-pyrrolidinecarboxylate	ME713840	0.72	0.60	0.65	2.85	NA	NA	0.02	NA	0.35
N,N-Bis(2-hydroxyethyl)dodecanamide	ME714834	0.69	0.55	0.64	2.89	NA	NA	0.02	NA	0.44
Piperidione	ME714641	0.59	0.52	0.78	2.87	NA	NA	0.03	NA	0.45
(5S)-5-Benzyl-2,4-imidazolidinedione	ME714532	0.65	0.53	0.71	2.89	NA	NA	0.01	NA	0.43
1,2,3,4-Tetrahydro-Î²-carboline-3-carboxylic acid	ME714170	0.61	0.52	0.72	2.90	NA	NA	0.00	NA	0.49
miglustat	ME714173	0.65	0.52	0.73	2.86	NA	NA	0.00	NA	0.48
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME713975	0.64	0.44	0.73	2.92	NA	NA	0.01	NA	0.52
(±)8(9)-EET	ME714156	0.65	0.48	0.67	2.97	NA	NA	0.00	NA	0.46
4-Butyloxazole	ME713907	0.59	0.54	0.66	2.95	NA	NA	0.01	NA	0.50
DPK	ME714813	0.58	0.57	0.65	2.92	NA	NA	0.03	NA	0.52
3-(3-Oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propanoic acid	ME714512	0.61	0.57	0.61	2.94	NA	NA	0.01	NA	0.51
N-(4-Aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-2-oxiranecarboxamide	ME714357	0.59	0.59	0.64	2.95	NA	NA	0.00	NA	0.47
(5-Benzyl-3,6-dioxo-2-piperazinyl)acetic acid	ME714046	0.57	0.64	0.62	2.88	NA	NA	0.00	NA	0.58
5-Methylcytosine	ME713493	0.57	0.60	0.64	2.93	NA	NA	0.00	NA	0.55
glu-leu	ME713520	0.55	0.58	0.63	2.94	NA	NA	0.00	NA	0.61
Aprobarbital	ME713834	0.64	0.55	0.70	2.84	NA	NA	0.00	NA	0.54
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME713504	0.61	0.56	0.70	2.85	NA	NA	0.00	NA	0.55
ornithinoalanine	ME713503	0.60	0.57	0.71	2.84	NA	NA	0.00	NA	0.54
DIACETIN MONOPROPANOATE	ME714032	0.57	0.58	0.73	2.83	NA	NA	0.02	NA	0.56
Hopantenic acid	ME713822	0.59	0.61	0.69	2.82	NA	NA	0.01	NA	0.57
Kynurenic acid	ME713485	0.62	0.59	0.71	2.81	NA	NA	0.00	NA	0.56
N4-Acetylcytidine	ME713558	0.61	0.61	0.72	2.79	NA	NA	0.00	NA	0.54
2-[(Carboxymethyl)amino]-7-octenoic acid	ME713818	0.57	0.57	0.69	2.88	NA	NA	0.00	NA	0.58
3-[(1S,4R)-4-Hydroxy-2-cyclohexen-1-yl]-L-alanine	ME713649	0.60	0.54	0.69	2.90	NA	NA	0.00	NA	0.54
Inspra	ME714745	0.64	0.52	0.68	2.88	NA	NA	0.01	NA	0.56
5-methyldeoxycytidine	ME713501	0.62	0.65	0.64	2.87	NA	NA	0.00	NA	0.46
5-Methylcytidine	ME713580	0.61	0.64	0.65	2.85	NA	NA	0.00	NA	0.50
dacisteine	ME714162	0.61	0.66	0.65	2.82	NA	NA	0.01	NA	0.50
L-Alanyl-L-glutamine	ME714786	0.65	0.60	0.69	2.84	NA	NA	0.02	NA	0.43
methyprylon	ME714524	0.61	0.61	0.72	2.80	NA	NA	0.01	NA	0.50
Pro-tyr	ME713508	0.63	0.60	0.71	2.82	NA	NA	0.00	NA	0.48
Hydroconiferyl Alcohol	ME713922	0.64	0.62	0.60	2.86	NA	NA	0.10	NA	0.46
Triethyl citrate	ME714036	0.54	0.69	0.60	2.84	NA	NA	0.16	NA	0.50
3-Hydroxyphenylacetic acid	ME714227	0.59	0.64	0.56	2.85	NA	NA	0.08	NA	0.66
DL-Mevalonic acid	ME713780	0.69	0.55	0.56	2.88	NA	NA	0.02	NA	0.63
Metronidazole	ME714292	0.67	0.58	0.57	2.83	NA	NA	0.01	NA	0.69
5-Formyl-2-furoic acid	ME714833	0.66	0.67	0.44	2.92	NA	NA	0.04	NA	0.57
Lotaustralin	ME713743	0.70	0.68	0.57	2.77	NA	NA	0.00	NA	0.56
N-Acetyl-L-phenylalanine	ME714747	0.66	0.66	0.57	2.81	NA	NA	0.05	NA	0.55
Isoprenaline	ME713498	0.69	0.70	0.56	2.83	NA	NA	0.00	NA	0.46
Lindenenone	ME714859	0.73	0.62	0.55	2.83	NA	NA	0.04	NA	0.50
Tauropine	ME714294	0.67	0.64	0.55	2.88	NA	NA	0.00	NA	0.53
(1Z)-N-[2-(3-Hydroxy-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]ethanimidic acid	ME714791	1.02	0.68	1.15	1.93	NA	NA	0.02	NA	0.43
N-(4-Methoxybenzyl)-3-{[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]methyl}-3-oxetanamine	ME714012	1.00	0.62	1.07	2.08	NA	NA	0.00	NA	0.46
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol	ME714529	1.15	0.42	1.11	2.07	NA	NA	0.13	NA	0.35
MFCD08277025	ME714191	1.15	0.56	0.96	2.22	NA	NA	0.01	NA	0.20
2-Propylfuran	ME714947	0.94	0.54	0.95	2.05	NA	NA	0.44	NA	0.59
Cyclohexene oxide	ME714998	0.83	0.64	0.96	2.16	NA	NA	0.44	NA	0.37
(1R,2S)-1-(7,8-Dihydro-6-pteridinyl)-1,2-propanediol	ME713830	0.78	0.70	0.88	2.11	NA	NA	0.32	NA	0.73
PEG n6	ME713714	0.95	0.53	0.80	2.25	NA	NA	0.23	NA	0.72
NP-020155	ME713972	0.81	0.62	0.85	2.61	NA	NA	0.02	NA	0.19
2^-Deoxysepiapterin	ME713741	0.93	0.76	0.73	2.55	NA	NA	0.00	NA	0.06
2-Isobutyl-3-methylpyrazine	ME714298	0.89	0.77	0.70	2.48	NA	NA	0.02	NA	0.29
N,N^-Di(2,3-butadien-1-yl)-1,4-butanediamine	ME714224	0.89	0.77	0.72	2.51	NA	NA	0.01	NA	0.23
1,5-Dimethyl-8-[(1E)-3-oxo-1-buten-1-yl]-6-oxabicyclo[3.2.1]octan-3-one	ME714572	0.84	0.68	0.96	2.26	NA	NA	0.20	NA	0.32
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline	ME714883	0.99	0.58	0.89	2.27	NA	NA	0.09	NA	0.44
6-[(6-Aminohexanoyl)amino]hexanoic acid	ME713748	0.93	0.61	1.01	2.26	NA	NA	0.00	NA	0.39
Cyclo(leucylprolyl)	ME714815	0.83	0.56	1.06	2.32	NA	NA	0.08	NA	0.36
(2E)-2-Octenal	ME713631	0.97	0.68	0.99	2.24	NA	NA	0.02	NA	0.21
4-Vinylcyclohexene	ME713644	0.96	0.69	0.96	2.27	NA	NA	0.01	NA	0.22
1,4,5-Trihydroxy-5-hydroxymethyl-2-methoxycyclohex-1-en-3-one	ME713667	0.86	0.76	0.84	2.39	NA	NA	0.00	NA	0.29
3-Nonanon-1-ol	ME713560	0.96	0.70	0.86	2.38	NA	NA	0.00	NA	0.19
9-Oxononanoic acid	ME713537	0.95	0.67	0.92	2.37	NA	NA	0.01	NA	0.19
1,2,3,4-Tetramethyl-1,3-cyclopentadiene	ME713739	0.90	0.62	0.87	2.49	NA	NA	0.02	NA	0.24
(2Z,4Z,6Z)-2,4,6-Nonatrienal	ME713871	0.91	0.67	0.86	2.41	NA	NA	0.04	NA	0.28
2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one	ME714422	1.01	0.71	0.76	2.30	NA	NA	0.01	NA	0.43
Rilmenidine	ME714482	0.96	0.81	0.80	2.25	NA	NA	0.03	NA	0.35
N-[(3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl)carbamoyl]-4-methylbenzenesulfonamide	ME714924	0.90	0.59	0.87	2.43	NA	NA	0.03	NA	0.40
Tyramine	ME713782	0.86	0.58	0.91	2.40	NA	NA	0.00	NA	0.49
Isobornyl methacrylate	ME714658	0.92	0.67	0.81	2.37	NA	NA	0.05	NA	0.43
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide	ME713730	0.88	0.72	0.75	2.43	NA	NA	0.00	NA	0.42
6-[(2E,6E)-7-(5-hydroxy-3-methyl-2-oxocyclopent-3-en-1-yl)-6-methylhepta-2,6-dien-2-yl]-3-methyl-5,6-dihydro-2H-pyran-2-one	ME714776	0.79	0.52	1.34	2.00	NA	NA	0.02	NA	0.68
1,7-Diphenyl-3-heptanone	ME714981	0.66	0.47	1.32	2.21	NA	NA	0.05	NA	0.63
9-fluoro-17?-oxa-dextro-homoandrosta-1,4-diene-3,11,17-trione	ME714685	0.72	0.57	1.23	2.13	NA	NA	0.03	NA	0.65
his-val	ME714266	0.88	0.52	1.12	2.21	NA	NA	0.01	NA	0.52
3-(3-Oxopropyl)phenyl hydrogen sulfate	ME714507	0.74	0.63	1.01	2.26	NA	NA	0.02	NA	0.70
5-Hydroxytryptophol	ME714083	0.78	0.65	1.02	2.26	NA	NA	0.01	NA	0.58
2-Oxindole	ME713661	0.77	0.64	1.08	2.15	NA	NA	0.00	NA	0.72
GNH	ME714716	0.73	0.71	1.05	2.15	NA	NA	0.07	NA	0.64
hymecromone	ME715002	0.79	0.60	1.02	2.26	NA	NA	0.18	NA	0.49
Oxohongdenafil	ME714474	0.72	0.61	1.07	2.20	NA	NA	0.20	NA	0.62
Indole-3-glyoxal	ME714539	0.74	0.76	1.06	2.17	NA	NA	0.04	NA	0.49
2-(6-Amino-1H-purin-1-yl)ethanol	ME714151	0.74	0.82	1.04	2.12	NA	NA	0.02	NA	0.53
Leucylproline	ME713528	0.80	0.80	1.01	2.15	NA	NA	0.00	NA	0.49
Valylproline	ME713603	0.77	0.84	0.97	2.17	NA	NA	0.00	NA	0.52
p-Hydroxybenzalacetone	ME714366	0.79	0.68	0.96	2.31	NA	NA	0.04	NA	0.47
L-Cladinpyranose	ME714363	0.84	0.69	0.94	2.22	NA	NA	0.06	NA	0.54
2-oxo-8-methylthiooctanoic acid	ME714378	0.88	0.71	0.99	2.21	NA	NA	0.01	NA	0.43
NP-000124	ME714176	0.82	0.71	0.98	2.24	NA	NA	0.03	NA	0.48
6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid	ME714145	0.84	0.75	0.95	2.21	NA	NA	0.01	NA	0.51
Purinol	ME714542	0.86	0.74	0.99	2.16	NA	NA	0.01	NA	0.49
Pelubiprofen	ME714945	0.88	0.79	1.04	2.07	NA	NA	0.04	NA	0.40
4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid	ME715000	0.88	0.79	0.87	2.16	NA	NA	0.14	NA	0.44
Senkyunolide A	ME714437	0.86	0.81	0.91	2.19	NA	NA	0.10	NA	0.37
2-sec-Butyl-3-methoxypyrazine	ME713885	0.93	0.80	0.90	2.16	NA	NA	0.01	NA	0.42
PYRIDOXAMINE	ME714592	0.99	0.79	0.87	2.10	NA	NA	0.06	NA	0.43
Propylparaben	ME714455	0.88	0.82	0.93	2.11	NA	NA	0.07	NA	0.45
2-oxo-10-methylthiodecanoic acid	ME714187	0.94	0.72	0.98	2.14	NA	NA	0.01	NA	0.45
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid	ME714367	0.90	0.78	0.94	2.13	NA	NA	0.03	NA	0.48
N-(Carboxymethyl)norleucine	ME714144	0.91	0.73	0.95	2.15	NA	NA	0.01	NA	0.50
Methylimidazoleacetic acid	ME713761	0.84	0.84	0.73	2.23	NA	NA	0.07	NA	0.67
Paracetamol	ME713986	0.87	0.79	0.71	2.28	NA	NA	0.01	NA	0.71
Pipecolic acid	ME713489	0.72	0.77	0.80	2.32	NA	NA	0.00	NA	0.77
5-methylthioribose	ME713751	0.74	0.73	0.80	2.34	NA	NA	0.06	NA	0.71
pro-asn	ME714405	0.72	0.70	0.85	2.38	NA	NA	0.01	NA	0.68
Creatinine	ME713474	0.84	0.71	0.78	2.32	NA	NA	0.00	NA	0.71
N-4-hydroxyphenylacetylglutamic acid	ME714393	0.81	0.82	0.79	2.27	NA	NA	0.00	NA	0.61
Pyroglutamic acid	ME714153	0.81	0.78	0.79	2.27	NA	NA	0.04	NA	0.66
N-[(2S)-2-Hydroxypropanoyl]-L-leucine	ME714140	0.84	0.77	0.78	2.27	NA	NA	0.03	NA	0.63
Val-Ser	ME714165	0.84	0.78	0.77	2.29	NA	NA	0.01	NA	0.64
pro-phe	ME713534	0.79	0.77	0.76	2.35	NA	NA	0.00	NA	0.66
ß,ß-Dimethyl-?-methylene-?-butyrolactone	ME714025	0.76	0.76	0.78	2.35	NA	NA	0.04	NA	0.67
3-Methoxytyramine	ME714295	0.75	0.81	0.81	2.31	NA	NA	0.01	NA	0.64
Hydroxytyrosol	ME713883	0.78	0.77	0.82	2.29	NA	NA	0.02	NA	0.66
(2S)-2-Amino-8-hydroxyoctanoic acid	ME713616	0.78	0.77	0.80	2.31	NA	NA	0.00	NA	0.66
ANISURIC ACID	ME713867	0.77	0.76	0.82	2.32	NA	NA	0.00	NA	0.64
Amoxicillin	ME713678	0.83	0.84	0.76	2.30	NA	NA	0.00	NA	0.53
EUROPINE	ME714593	0.85	0.83	0.78	2.27	NA	NA	0.01	NA	0.52
deoxyhypusine	ME714720	0.81	0.88	0.81	2.25	NA	NA	0.02	NA	0.48
SECONAL	ME714047	0.81	0.88	0.82	2.23	NA	NA	0.00	NA	0.53
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid	ME714242	0.89	0.75	0.83	2.26	NA	NA	0.01	NA	0.53
MFCD02728197	ME714341	0.86	0.77	0.85	2.27	NA	NA	0.00	NA	0.49
Apocynin	ME714407	0.82	0.79	0.78	2.32	NA	NA	0.08	NA	0.51
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one	ME714694	0.85	0.79	0.80	2.32	NA	NA	0.05	NA	0.44
N-Propionylmethionine	ME714435	0.84	0.80	0.77	2.34	NA	NA	0.01	NA	0.46
N-adenylyl-L-phenylalanine	ME714681	0.75	0.81	0.71	2.48	NA	NA	0.02	NA	0.49
cartazolate	ME714726	0.80	0.72	0.76	2.47	NA	NA	0.02	NA	0.47
Seryllysine	ME713940	0.78	0.76	0.78	2.44	NA	NA	0.00	NA	0.47
N-[(2S)-2-Hydroxypropanoyl]methionine	ME713801	0.86	0.79	0.74	2.36	NA	NA	0.00	NA	0.51
Methylone	ME713953	0.80	0.76	0.77	2.41	NA	NA	0.00	NA	0.52
2,6-Diamino-7-hydroxynonanedioic acid	ME714185	0.80	0.80	0.75	2.42	NA	NA	0.00	NA	0.47
N-Acetyl-serotonin glucuronide	ME713920	0.80	0.81	0.75	2.38	NA	NA	0.00	NA	0.50
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norleucine	ME714150	0.78	0.83	0.69	2.39	NA	NA	0.00	NA	0.60
1H-Benzimidazol-5-ol	ME713759	0.82	0.85	0.71	2.36	NA	NA	0.00	NA	0.52
L-topaquinone	ME714646	0.80	0.85	0.73	2.34	NA	NA	0.02	NA	0.53
Picolinic acid	ME714161	0.81	0.84	0.73	2.34	NA	NA	0.04	NA	0.53
Nicotinuric acid	ME713494	0.78	0.83	0.73	2.39	NA	NA	0.00	NA	0.54
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose	ME713713	0.79	0.78	0.77	2.37	NA	NA	0.01	NA	0.57
Edoxudine	ME713643	0.79	0.81	0.75	2.36	NA	NA	0.00	NA	0.57
3-Hydroxy-3-methyl-2,3-dihydro[1,3]thiazolo[3,2-a]indole-9-carbaldehyde	ME713687	0.76	0.75	0.82	2.36	NA	NA	0.00	NA	0.62
2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose	ME714051	0.77	0.75	0.79	2.40	NA	NA	0.00	NA	0.58
Tetraacetylethylenediamine	ME714138	0.75	0.73	0.79	2.42	NA	NA	0.01	NA	0.60
adrenaline	ME714260	0.83	0.74	0.73	2.40	NA	NA	0.01	NA	0.57
N6-Me-Adenosine	ME713512	0.82	0.68	0.77	2.43	NA	NA	0.00	NA	0.61
3,14-dihydro-15-keto-tetranor Prostaglandin E2	ME714802	0.82	0.66	0.84	2.40	NA	NA	0.10	NA	0.47
D-(+)-Proline	ME714308	0.83	0.64	0.88	2.33	NA	NA	0.14	NA	0.51
Clebopride	ME714969	0.70	0.70	0.91	2.41	NA	NA	0.04	NA	0.51
5,5-Dimethyl-4-(3-oxobutyl)dihydro-2(3H)-furanone	ME713622	0.79	0.64	0.91	2.40	NA	NA	0.03	NA	0.50
NP-019811	ME713992	0.78	0.68	0.90	2.37	NA	NA	0.02	NA	0.51
2-Aminonicotinic acid	ME714279	0.78	0.68	0.84	2.40	NA	NA	0.03	NA	0.56
Tyrosinamide	ME714070	0.81	0.66	0.87	2.40	NA	NA	0.00	NA	0.53
CY9070000	ME714698	0.74	0.78	0.87	2.32	NA	NA	0.04	NA	0.54
3H-Cyclodeca[b]furan-2-one, 4,9-dihydroxy-6-methyl-3,10-dimethylene-3a,4,7,8,9,10,11,11a-octahydro-	ME714251	0.78	0.72	0.93	2.28	NA	NA	0.02	NA	0.57
Enicoflavine	ME714050	0.83	0.71	0.85	2.34	NA	NA	0.00	NA	0.55
3-Phenoxypyrocatechol	ME714971	0.82	0.70	0.88	2.32	NA	NA	0.02	NA	0.55
beta-Pyracin	ME713951	0.81	0.70	0.86	2.34	NA	NA	0.04	NA	0.55
(3S,9S,14aR)-3,6-Dimethyl-9-{6-[(2S)-2-oxiranyl]-6-oxohexyl}decahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetrone	ME714468	0.81	0.71	0.88	2.30	NA	NA	0.01	NA	0.58
pentobarbital	ME714831	0.79	0.69	0.90	2.32	NA	NA	0.03	NA	0.59
C8-HSL	ME714913	0.82	0.69	0.79	2.41	NA	NA	0.05	NA	0.53
Cortisol	ME714970	0.83	0.70	0.81	2.37	NA	NA	0.04	NA	0.53
4-Pyridoxic acid	ME713515	0.79	0.74	0.85	2.37	NA	NA	0.00	NA	0.52
(2E)-2-(2-Furylmethylene)butanal	ME714085	0.79	0.74	0.81	2.37	NA	NA	0.03	NA	0.54
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione	ME714048	0.80	0.76	0.80	2.36	NA	NA	0.01	NA	0.56
DL-Carbidopa	ME713561	0.81	0.74	0.83	2.34	NA	NA	0.00	NA	0.56
N-Acetylvanilalanine	ME714417	0.82	0.73	0.80	2.35	NA	NA	0.01	NA	0.58
Lunarine	ME714030	0.87	0.73	0.82	2.33	NA	NA	0.03	NA	0.47
N-Acetyl-L-leucine	ME713521	0.84	0.76	0.82	2.31	NA	NA	0.00	NA	0.54
(2S)-3-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)butanoic acid (non-preferred name)	ME714008	0.83	0.73	0.82	2.35	NA	NA	0.01	NA	0.52
(E)-2-Butenyl-4-methyl-threonine	ME714599	0.85	0.74	0.82	2.32	NA	NA	0.03	NA	0.51
Indole-3-lactic acid	ME713909	0.72	0.88	0.77	2.34	NA	NA	0.00	NA	0.58
10-HDA	ME714236	0.70	0.87	0.84	2.25	NA	NA	0.04	NA	0.62
2^-Deoxyinosine	ME714409	0.75	0.85	0.83	2.27	NA	NA	0.01	NA	0.59
Hexyl Isothiocyanate	ME715026	0.72	0.87	0.92	2.18	NA	NA	0.05	NA	0.59
Thymidine	ME713693	0.71	0.93	0.85	2.17	NA	NA	0.00	NA	0.69
NP-008952	ME714582	0.91	0.74	0.79	2.20	NA	NA	0.13	NA	0.59
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-8-methyl-1,2,3,4-tetrahydroquinoline	ME713900	0.90	0.90	0.81	2.10	NA	NA	0.01	NA	0.58
Isovalerylglutamic acid	ME713579	0.85	0.89	0.88	2.13	NA	NA	0.00	NA	0.48
INDOLEACETYL GLUTAMIC ACID	ME714627	0.87	0.84	0.84	2.20	NA	NA	0.02	NA	0.49
napropamide-M	ME714495	0.90	0.82	0.85	2.18	NA	NA	0.01	NA	0.48
4-HOBA	ME714825	0.91	0.83	0.85	2.15	NA	NA	0.01	NA	0.53
4-methyl-5-nitrocatechol	ME713682	0.88	0.84	0.84	2.14	NA	NA	0.00	NA	0.58
ile-phe	ME713685	0.88	0.69	0.86	2.24	NA	NA	0.00	NA	0.65
Succinyladenosine	ME713572	0.87	0.74	0.85	2.21	NA	NA	0.00	NA	0.68
Volkenin	ME713805	0.85	0.76	0.85	2.20	NA	NA	0.00	NA	0.68
2-Anisic acid	ME714134	0.77	0.71	0.92	2.25	NA	NA	0.03	NA	0.67
Hippuric acid	ME713479	0.78	0.77	0.92	2.17	NA	NA	0.00	NA	0.72
5-Hydroxypyrazinecarboxamide	ME713536	0.85	0.83	0.83	2.19	NA	NA	0.00	NA	0.58
Urothion	ME713959	0.84	0.85	0.82	2.20	NA	NA	0.00	NA	0.60
Linamarin	ME714273	0.85	0.84	0.83	2.16	NA	NA	0.00	NA	0.64
MFCD00272697	ME714217	0.85	0.80	0.81	2.22	NA	NA	0.00	NA	0.63
Adenosine 3^5^-cyclic monophosphate	ME713600	0.84	0.81	0.83	2.19	NA	NA	0.00	NA	0.66
Valylvaline	ME713621	0.82	0.81	0.84	2.20	NA	NA	0.00	NA	0.66
2,4-Quinolinediol	ME713636	0.81	0.90	0.80	2.15	NA	NA	0.00	NA	0.66
(8E)-10-Hydroxy-8-decenoic acid	ME713859	0.78	0.86	0.89	2.14	NA	NA	0.01	NA	0.66
(-)-isopiperitenone	ME714247	0.81	0.83	0.85	2.16	NA	NA	0.03	NA	0.67
3-Ethylphenol	ME713767	0.78	0.77	0.92	2.18	NA	NA	0.09	NA	0.62
4-Amino-3-hydroxybenzoic acid	ME713518	0.81	0.75	0.91	2.22	NA	NA	0.00	NA	0.62
PENICILLIC ACID	ME714005	0.81	0.76	0.89	2.24	NA	NA	0.04	NA	0.57
HIAA	ME713829	0.78	0.83	0.91	2.19	NA	NA	0.00	NA	0.59
4-aminocatechol	ME713870	0.83	0.78	0.91	2.18	NA	NA	0.01	NA	0.60
6-Deoxy-3-O-methyl-beta-D-galactopyranose	ME713783	0.83	0.79	0.93	2.15	NA	NA	0.03	NA	0.57
Cunaniol	ME714921	0.67	0.86	1.12	2.02	NA	NA	0.03	NA	0.63
N-Acetyl-S-2-hydroxyethyl-L-cysteine	ME713650	0.75	0.81	1.04	2.08	NA	NA	0.00	NA	0.65
Amipylo	ME714515	0.84	0.74	1.12	2.01	NA	NA	0.02	NA	0.55
Mansonone C	ME714097	0.79	0.81	1.20	1.91	NA	NA	0.01	NA	0.58
D-PANTOTHENIC ACID	ME713495	0.95	0.92	0.82	2.00	NA	NA	0.00	NA	0.64
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde	ME713482	0.95	0.85	0.81	2.04	NA	NA	0.00	NA	0.70
L-Phenylalanine	ME713481	0.95	0.85	0.81	2.04	NA	NA	0.00	NA	0.69
2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoic acid	ME714356	0.91	0.89	0.86	1.99	NA	NA	0.01	NA	0.69
n-Hexanamide	ME713697	0.94	0.85	0.87	2.00	NA	NA	0.01	NA	0.67
3-Indoleacetamide	ME714225	0.99	0.81	0.91	1.99	NA	NA	0.01	NA	0.58
Plantamajoside	ME714675	0.98	0.84	0.94	1.93	NA	NA	0.01	NA	0.62
N-(2-Acetylphenyl)formamide	ME714570	0.99	0.83	0.88	1.97	NA	NA	0.03	NA	0.63
1-(2-Furyl)ethanethiol	ME714024	1.02	0.82	0.89	1.94	NA	NA	0.01	NA	0.63
THTA	ME713768	1.04	0.81	0.90	1.93	NA	NA	0.01	NA	0.64
2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one	ME714492	0.90	0.93	0.90	1.95	NA	NA	0.01	NA	0.63
4-Acetamidobutanoic acid	ME713589	0.87	0.94	0.93	1.93	NA	NA	0.02	NA	0.64
N-Acetyl-Trp-OH	ME714362	0.94	0.93	0.87	1.93	NA	NA	0.01	NA	0.66
N-Phenylacetylglutamic acid	ME714354	0.94	0.90	0.91	1.94	NA	NA	0.00	NA	0.62
2,3,4,9-Tetrahydro-1H-beta-carboline-1,3-dicarboxylic acid	ME714508	0.92	0.92	0.88	1.97	NA	NA	0.01	NA	0.59
tyramine sulfate	ME714331	0.95	0.93	0.87	1.95	NA	NA	0.01	NA	0.58
6-APA	ME714274	0.93	0.85	1.00	1.94	NA	NA	0.01	NA	0.56
4,4^-Thiobis(butan-2-one)	ME713652	0.85	0.88	1.00	1.95	NA	NA	0.00	NA	0.63
MFCD00053704	ME714149	0.92	0.87	0.95	1.93	NA	NA	0.02	NA	0.63
N-Acetyl-L-tyrosine	ME714299	0.91	0.84	0.95	1.97	NA	NA	0.02	NA	0.63
Acetylarginine	ME713505	0.82	0.81	0.95	2.01	NA	NA	0.00	NA	0.82
casimiroedine	ME714805	0.85	0.79	0.91	2.05	NA	NA	0.01	NA	0.80
methoxyresorcinol	ME714178	0.90	0.78	0.98	1.95	NA	NA	0.03	NA	0.72
2,6-Dideoxy-3-C-methyl-beta-L-ribo-hexopyranose	ME713882	0.94	0.81	0.89	1.98	NA	NA	0.02	NA	0.73
5-methylthio-2-oxopentanoic acid	ME714915	0.87	0.82	0.93	2.01	NA	NA	0.02	NA	0.70
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediol	ME713947	0.82	0.86	0.96	2.04	NA	NA	0.01	NA	0.63
(+)-2,7-Dideoxypancratistatin	ME714856	0.82	0.91	0.88	2.05	NA	NA	0.02	NA	0.67
L-Theanine	ME713765	0.82	0.90	0.90	2.05	NA	NA	0.00	NA	0.67
2-hydroxysebacic acid	ME713723	0.90	0.71	0.98	2.11	NA	NA	0.01	NA	0.59
Anthranilic acid	ME713786	0.82	0.77	0.99	2.09	NA	NA	0.01	NA	0.66
NP-020014	ME714374	0.84	0.73	1.00	2.08	NA	NA	0.02	NA	0.68
N-Acetylhistamine	ME713554	0.89	0.70	0.96	2.11	NA	NA	0.00	NA	0.68
(+)-Australine	ME713594	0.87	0.79	0.91	2.09	NA	NA	0.00	NA	0.69
2,3-Diaminosalicylic acid	ME713742	0.88	0.74	0.94	2.11	NA	NA	0.00	NA	0.65
Diethyl malonate	ME713868	0.84	0.77	0.94	2.11	NA	NA	0.01	NA	0.67
(2E,4E,7E)-2,4,7-Decatrienoic acid	ME714181	0.87	0.81	1.00	2.02	NA	NA	0.05	NA	0.55
2,3,4,9-Tetrahydro-1H-ß-carboline-3-carboxylic acid	ME714092	0.94	0.75	0.92	2.10	NA	NA	0.00	NA	0.58
(Ac)2-L-Lys-D-Ala	ME714116	0.95	0.77	0.96	2.05	NA	NA	0.01	NA	0.54
arg-ser	ME714541	0.96	0.79	0.93	2.04	NA	NA	0.01	NA	0.57
2,2^-Iminodipropan-1-ol	ME713773	0.92	0.81	0.90	2.04	NA	NA	0.03	NA	0.65
Aminohippuric acid	ME713525	0.93	0.80	0.88	2.07	NA	NA	0.00	NA	0.63
3-[(2Z)-1-Hydroxy-2-buten-2-yl]pentanedioic acid	ME714137	0.90	0.78	0.92	2.08	NA	NA	0.01	NA	0.60
4-Ethoxy-m-anisaldehyde	ME713876	0.88	0.82	0.95	2.04	NA	NA	0.01	NA	0.60
anticapsin	ME713666	0.89	0.79	0.96	2.06	NA	NA	0.00	NA	0.61
N6-Dimethyladenosine	ME714680	0.91	0.83	0.94	2.03	NA	NA	0.01	NA	0.56
Ethyl 3-hydroxybutyrate	ME713657	0.90	0.84	0.93	2.01	NA	NA	0.02	NA	0.62
Oxepanone	ME713679	0.89	0.84	0.93	2.02	NA	NA	0.02	NA	0.62
D-(+)-Pipecolinic acid	ME713689	0.91	0.69	1.14	1.92	NA	NA	0.04	NA	0.64
NP-016455	ME713699	0.89	0.70	1.10	1.98	NA	NA	0.01	NA	0.67
2-Oxo-5-pentyltetrahydro-3-furancarboxylic acid	ME713827	0.91	0.72	1.04	1.99	NA	NA	0.06	NA	0.65
Ethyl lactate	ME713718	0.89	0.72	1.02	2.02	NA	NA	0.02	NA	0.68
L-Kynurenine	ME713672	0.96	0.68	1.03	2.03	NA	NA	0.00	NA	0.62
isonixin	ME714259	0.97	0.72	0.99	1.99	NA	NA	0.00	NA	0.67
Methyl O-sulfo-L-tyrosinate	ME714300	0.94	0.76	0.97	2.01	NA	NA	0.01	NA	0.62
TO0127900	ME714673	1.07	0.75	0.93	1.98	NA	NA	0.08	NA	0.45
2-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]propanoic acid	ME714396	1.01	0.69	0.97	1.96	NA	NA	0.17	NA	0.57
4-Ethyl-6-methoxy-1,2,3-benzenetriol	ME714304	0.99	0.76	0.97	1.93	NA	NA	0.09	NA	0.60
(6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol	ME713945	1.00	0.71	1.06	1.93	NA	NA	0.03	NA	0.58
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propen-1-ol	ME713954	1.07	0.68	1.01	1.96	NA	NA	0.00	NA	0.56
Acetyl-L-methionine	ME713552	1.07	0.66	1.01	1.99	NA	NA	0.00	NA	0.51
7Î±-Hydroxy-3-oxo-4-cholen-24-oic acid	ME714226	0.97	0.78	0.69	2.19	NA	NA	0.01	NA	0.75
leucyl-4-hydroxyproline	ME713848	0.93	0.77	0.69	2.17	NA	NA	0.01	NA	0.87
4-Guanidinobutyric acid	ME713524	0.90	0.74	0.72	2.24	NA	NA	0.00	NA	0.80
5-Nitrilonorvaline	ME713523	0.91	0.70	0.72	2.26	NA	NA	0.00	NA	0.81
pyroglutamylglycine	ME713686	0.96	0.63	0.87	2.13	NA	NA	0.00	NA	0.79
phe-cys	ME714854	0.88	0.63	0.95	2.20	NA	NA	0.01	NA	0.67
PHENYLBUTYRIC ACID	ME714323	0.89	0.65	0.91	2.16	NA	NA	0.10	NA	0.68
1-Vinylimidazole	ME714291	0.91	0.73	0.80	2.14	NA	NA	0.07	NA	0.77
1-Piperideine	ME713720	0.92	0.74	0.88	2.10	NA	NA	0.03	NA	0.69
Cyclohexanecarboxylic acid	ME714010	0.85	0.71	0.89	2.12	NA	NA	0.06	NA	0.78
ceronapril	ME714128	0.85	0.71	0.90	2.17	NA	NA	0.02	NA	0.73
D-gamma-Glutamyl-S-[(4S,5R,6E,8E,10Z,13Z,16Z)-1-carboxy-4-hydroxy-6,8,10,13,16-nonadecapentaen-5-yl]-L-cysteinylglycine	ME714054	0.87	0.73	0.91	2.12	NA	NA	0.01	NA	0.73
2-Methyl-4-quinolinol	ME713777	0.97	0.75	0.85	2.13	NA	NA	0.00	NA	0.59
N,N-dimethylarginine	ME714120	0.98	0.74	0.84	2.13	NA	NA	0.03	NA	0.58
6-[(1R,2S)-1,2-Dihydroxypropyl]-3,4-dihydro-2,4-pteridinediol	ME713620	0.98	0.67	0.95	2.11	NA	NA	0.00	NA	0.58
Tetralin	ME714271	1.00	0.68	0.91	2.09	NA	NA	0.01	NA	0.64
1-(1H-Indol-3-yl)-1,2-ethanediol	ME714931	1.06	0.61	0.84	2.15	NA	NA	0.03	NA	0.65
NI3400000	ME713928	1.01	0.72	0.76	2.13	NA	NA	0.03	NA	0.72
ophthalmic acid	ME714595	1.05	0.71	0.74	2.13	NA	NA	0.04	NA	0.69
5-guanidino-3-methyl-2-oxopentanoic acid	ME713584	0.73	0.55	1.00	2.30	NA	NA	0.00	NA	0.85
5-Ethyl-4-hydroxy-3(2H)-furanone	ME713865	0.63	0.69	0.91	2.34	NA	NA	0.03	NA	0.82
3-(4-Hydroxy-3-methoxyphenyl)-2-oxiranecarboxylic acid	ME714795	0.69	0.62	0.85	2.45	NA	NA	0.04	NA	0.74
Bergenin	ME713853	0.73	0.54	0.87	2.47	NA	NA	0.01	NA	0.77
indol-2-one	ME713717	0.70	0.63	0.82	2.41	NA	NA	0.01	NA	0.88
N-Acetylimidoquinone	ME713656	0.72	0.62	0.84	2.38	NA	NA	0.00	NA	0.86
N-Acetyl-L-carnosine	ME713596	0.78	0.65	0.82	2.37	NA	NA	0.00	NA	0.76
DLK	ME713891	0.78	0.59	0.90	2.32	NA	NA	0.01	NA	0.81
N3,N4-Dimethyl-L-arginine	ME713637	0.72	0.63	0.89	2.35	NA	NA	0.00	NA	0.81
Pyridoxal	ME713965	0.49	0.98	0.77	2.27	NA	NA	0.01	NA	0.99
3-[(3-Methylbutyl)nitrosoamino]-2-butanone	ME714882	0.58	0.88	0.83	2.18	NA	NA	0.02	NA	1.04
Vinylbital	ME714080	0.67	0.79	0.79	2.26	NA	NA	0.01	NA	0.98
Alanylclavam	ME713811	0.84	0.68	0.89	2.03	NA	NA	0.00	NA	1.09
D-Raffinose	ME713896	0.88	0.71	0.88	2.03	NA	NA	0.00	NA	1.00
N8-Acetylspermidine	ME713646	0.82	0.65	0.87	2.20	NA	NA	0.00	NA	0.90
Piracetam	ME713625	0.82	0.70	0.89	2.11	NA	NA	0.02	NA	0.93
5-Hydroxyindole-3-acetic acid	ME714625	0.71	1.02	0.69	2.17	NA	NA	0.01	NA	0.81
5-Pentyl-2(5H)-furanone	ME714075	0.67	0.84	0.80	2.20	NA	NA	0.18	NA	0.77
4-O-Acetyl-2-deoxy-2-[(Z)-(1-hydroxyethylidene)amino]-alpha-D-mannopyranose	ME713700	0.82	0.83	0.78	2.13	NA	NA	0.00	NA	0.87
Isopropyl beta-D-galactopyranoside	ME713930	0.80	0.84	0.76	2.11	NA	NA	0.01	NA	0.97
5-Hydroxy-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione	ME714042	0.84	0.88	0.81	2.08	NA	NA	0.02	NA	0.76
Zalcitabine	ME713484	0.83	0.80	0.85	2.13	NA	NA	0.00	NA	0.77
albutoin	ME713578	0.75	0.82	0.85	2.19	NA	NA	0.00	NA	0.78
Nitrendipine	ME714914	0.77	0.83	0.79	2.22	NA	NA	0.02	NA	0.78
3-Methylenenorleucine	ME713949	0.75	0.82	0.92	2.11	NA	NA	0.02	NA	0.78
Dimetridazole	ME714430	0.71	0.85	0.87	2.15	NA	NA	0.05	NA	0.78
5,5^-Dihydroxy-4,4^,8^,8^-tetramethyl-4,5-dihydro-2^H,3H-spiro[furan-2,6^-[7]oxabicyclo[3.2.1]oct[3]en]-2^-one	ME714189	0.97	1.24	0.52	2.01	NA	NA	0.06	NA	0.46
Pregabalin	ME714763	0.87	1.27	0.43	2.19	NA	NA	0.02	NA	0.46
trimetozine	ME715005	0.98	1.16	0.44	2.17	NA	NA	0.04	NA	0.46
(2-Methyl-3-methylenebicyclo[2.2.1]hept-2-yl)acetaldehyde	ME714959	1.11	0.93	0.61	2.19	NA	NA	0.18	NA	0.15
6,9a-Dihydroxy-4-methoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one	ME714756	0.85	1.07	0.71	2.21	NA	NA	0.12	NA	0.20
carisoprodol	ME714956	0.97	1.09	0.65	2.17	NA	NA	0.07	NA	0.16
1-(malonylamino)cyclopropane-1-carboxylic acid	ME714107	0.86	1.05	0.91	2.09	NA	NA	0.00	NA	0.17
4-hydroxy-4-(indol-3-ylmethyl)glutamic acid	ME714504	0.88	1.04	0.97	1.92	NA	NA	0.01	NA	0.36
Crotanecine	ME713716	0.84	1.01	1.01	1.98	NA	NA	0.01	NA	0.32
dioncophylline C	ME715028	0.95	0.92	0.89	2.00	NA	NA	0.05	NA	0.43
oxamniquine	ME713781	1.06	0.87	0.80	2.10	NA	NA	0.00	NA	0.34
N-(3-Carboxypropanoyl)-5-hydroxynorvaline	ME714577	1.02	0.82	0.78	2.10	NA	NA	0.01	NA	0.57
porfiromycin	ME714852	1.05	0.86	0.79	2.03	NA	NA	0.01	NA	0.53
2-(Hydroxymethyl)-3,5-dimethoxyphenol	ME714205	0.97	0.89	0.74	2.13	NA	NA	0.09	NA	0.44
5-Benzyldihydro-2(3H)-furanone	ME714651	1.02	0.90	0.74	2.08	NA	NA	0.04	NA	0.48
Cuprizon	ME714620	0.80	1.10	0.60	2.22	NA	NA	0.02	NA	0.54
senkyunolide B	ME714939	0.92	1.00	0.68	2.10	NA	NA	0.03	NA	0.58
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}amino)pentanoic acid (non-preferred name)	ME714364	0.77	1.05	0.78	2.16	NA	NA	0.02	NA	0.46
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid	ME714277	0.81	1.03	0.74	2.17	NA	NA	0.01	NA	0.50
5-Hydroxy-DL-tryptophan	ME713651	0.86	1.02	0.72	2.14	NA	NA	0.00	NA	0.50
(1S,6R,11aR,13R,14aS)-1,13-dihydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one	ME714265	0.84	0.95	0.70	2.22	NA	NA	0.02	NA	0.55
Dibutyl malate	ME714439	0.90	0.89	0.80	2.19	NA	NA	0.01	NA	0.43
3-Methoxy-4-hydroxyhippuric acid	ME714027	0.87	0.94	0.77	2.17	NA	NA	0.00	NA	0.49
(6Z)-6-Tetradecene-1,3-diyne-5,8-diol	ME714466	0.84	0.96	0.75	2.20	NA	NA	0.04	NA	0.44
1-nonanoic acid	ME713711	1.05	1.13	0.74	1.96	NA	NA	0.01	NA	0.23
1-Cyclohexenecarboxylic Acid	ME714640	0.82	1.10	0.79	2.03	NA	NA	0.16	NA	0.36
trihomomethionine	ME713977	0.87	1.16	0.76	1.99	NA	NA	0.01	NA	0.43
Indole-3-acetic acid	ME713559	0.86	1.06	0.80	2.01	NA	NA	0.00	NA	0.55
Monomethyl adipate	ME714067	0.86	1.10	0.78	1.99	NA	NA	0.01	NA	0.53
methyl 3,5-ditert-butyl-4-hydroxybenzoate	ME714478	0.93	1.15	0.79	1.89	NA	NA	0.06	NA	0.42
NP-004036	ME714660	0.99	1.18	0.76	1.81	NA	NA	0.04	NA	0.47
6-(5-Methyl-4-hexen-2-yl)-9H-purine	ME714700	0.99	1.04	0.79	1.92	NA	NA	0.03	NA	0.48
(6E)-4,5,8-Trihydroxy-10-(2-hydroxypentyl)-3,3-dimethyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one	ME714384	1.00	1.11	0.70	1.96	NA	NA	0.01	NA	0.44
NP-007065	ME714551	1.08	0.79	0.84	1.76	NA	NA	0.40	NA	0.65
6-(3Z)-3-Hexen-1-yltetrahydro-2H-Pyran-2-one	ME714380	1.12	0.86	0.68	1.94	NA	NA	0.17	NA	0.63
Lapachol	ME715013	1.14	0.90	0.66	1.91	NA	NA	0.28	NA	0.50
N-(3-Carboxypropyl)glutamine	ME713799	1.15	0.80	0.62	2.27	NA	NA	0.00	NA	0.31
NP-006656	ME714465	1.08	0.85	0.59	2.23	NA	NA	0.06	NA	0.45
(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione	ME714124	1.16	0.67	0.79	2.10	NA	NA	0.06	NA	0.51
Azelaic acid	ME715014	1.28	0.69	0.75	2.00	NA	NA	0.20	NA	0.37
3-Tropanol	ME713747	1.04	0.12	1.10	2.51	NA	NA	0.02	NA	0.42
Bethanidine	ME713760	0.70	0.38	1.31	2.48	NA	NA	0.01	NA	0.26
2H-Pyran	ME713664	0.40	0.44	1.25	2.67	NA	NA	0.11	NA	0.37
Naltrexone	ME714722	0.54	0.40	1.04	2.78	NA	NA	0.10	NA	0.39
NP-017379	ME715025	0.46	0.90	1.35	2.13	NA	NA	0.05	NA	0.27
3-[(3aS,8R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,8aH-cyclohepta[b]furan-7-yl]propanoic acid	ME714908	0.39	0.61	1.30	2.40	NA	NA	0.12	NA	0.49
Anisindione	ME714996	0.28	0.66	1.48	2.38	NA	NA	0.07	NA	0.34
Phenytoin	ME713973	0.38	1.73	0.47	2.41	NA	NA	0.00	NA	0.03
AAMU	ME713709	0.25	1.63	0.38	2.70	NA	NA	0.00	NA	0.08
Phenethylamine	ME713634	0.34	1.57	0.31	2.67	NA	NA	0.00	NA	0.21
(+/-)-Asarinol B	ME714119	0.59	1.26	0.52	2.41	NA	NA	0.12	NA	0.32
2-methyl-4-ethyl-5-propyloxazole	ME714676	0.77	1.52	0.38	2.21	NA	NA	0.03	NA	0.21
Histidylglycine	ME714398	0.60	1.51	0.64	2.20	NA	NA	0.02	NA	0.08
(3S,6S)-3-(Hydroxymethyl)-6-{4-[(3-methyl-2-buten-1-yl)oxy]benzyl}-2,5-piperazinedione	ME714061	0.19	1.08	0.21	3.22	NA	NA	0.02	NA	0.58
Catechin	ME714349	0.93	0.86	0.27	2.85	NA	NA	0.04	NA	0.15
[(4R,6R)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol	ME713995	0.66	1.01	0.42	2.82	NA	NA	0.00	NA	0.17
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME714861	0.43	1.11	0.41	2.88	NA	NA	0.10	NA	0.24
4-Hydroxybenzaldehyde	ME714169	0.69	1.38	2.07	0.53	NA	NA	0.09	NA	0.58
2-Hydroxy-2-(2-oxopropyl)succinic acid	ME713630	0.39	1.55	2.44	0.46	NA	NA	0.01	NA	0.33
Benzaldehyde	ME714172	0.56	1.51	2.38	0.32	NA	NA	0.01	NA	0.44
zingerone	ME713917	0.73	1.38	1.41	1.26	NA	NA	0.02	NA	0.43
Corticosterone	ME714656	0.87	1.55	1.73	0.63	NA	NA	0.02	NA	0.43
Hydroxyprogesterone	ME714898	0.85	1.55	1.62	0.88	NA	NA	0.04	NA	0.14
3-Methyl-2,5-piperazinedione	ME714198	0.87	1.35	1.10	0.55	NA	NA	1.28	NA	0.96
Methyl 3-hydroxyhexanoate	ME714261	1.45	0.29	1.92	0.34	NA	NA	1.21	NA	0.79
4-Hydroxynonenal	ME714902	0.93	0.72	1.32	0.56	NA	NA	1.11	NA	1.83
3-Methylbutanoic acid	ME714444	1.20	0.69	1.41	0.50	NA	NA	1.02	NA	1.38
DSF	ME714962	0.99	0.78	1.30	0.71	NA	NA	1.07	NA	1.38
octadiene	ME714613	1.10	0.85	1.22	0.63	NA	NA	0.98	NA	1.43
5-{[1-(3-Hydroxypropoxy)-2-methyl-2-propanyl]amino}-3,4-dihydro-1(2H)-naphthalenone	ME714603	1.44	1.29	1.41	0.10	NA	NA	0.53	NA	1.00
3-Hydroxytridecanoic acid	ME714424	1.45	0.82	1.38	0.46	NA	NA	0.54	NA	1.26
Tegaserod	ME714219	1.34	1.08	1.31	0.51	NA	NA	0.52	NA	1.00
Cromakalim	ME713877	1.16	0.90	1.42	0.62	NA	NA	0.72	NA	1.07
(2Z)-3-Phenyl-2-propen-1-yl propionate	ME714604	1.30	0.60	1.55	0.62	NA	NA	0.79	NA	1.07
(3E)-4,8-Dimethyl-1,3,7-nonatriene	ME714982	1.23	0.70	1.51	0.53	NA	NA	0.88	NA	1.18
Traumatin	ME714004	1.21	0.73	1.38	0.66	NA	NA	0.88	NA	1.17
2^-Deoxycytosine	ME714022	1.18	0.87	1.54	0.73	NA	NA	0.77	NA	0.59
Furfuranol	ME714886	1.21	0.65	1.63	0.69	NA	NA	0.82	NA	0.80
3-(5-tert-Butyl-3-hydroxy-1,2-oxazol-4-yl)-L-alanine	ME714743	1.23	0.75	1.58	0.64	NA	NA	0.72	NA	0.90
Tulipalin A	ME714808	1.25	0.70	1.56	0.73	NA	NA	0.69	NA	0.83
Hexylresorcinol	ME714211	1.39	0.80	1.62	0.10	NA	NA	0.83	NA	1.34
NP-020214	ME714847	1.46	0.45	1.52	0.66	NA	NA	0.57	NA	1.24
Hydroxycitronellal diethyl acetal	ME714516	1.34	0.43	1.77	0.45	NA	NA	0.57	NA	1.44
N-Methylcaprolactam	ME714483	1.44	0.51	1.69	0.35	NA	NA	0.61	NA	1.43
NP-008095	ME714425	1.30	0.70	1.76	0.41	NA	NA	0.56	NA	1.09
3-[(2-Isopropyl-5-methylcyclohexyl)oxy]propane-1,2-diol	ME714222	1.25	0.66	1.65	0.50	NA	NA	0.66	NA	1.20
Palmitoleic acid	ME714563	1.26	0.57	1.62	0.53	NA	NA	0.70	NA	1.33
(2E,4E,7Z)-2,4,7-Decatrienal	ME714733	0.59	1.48	0.84	1.28	NA	NA	0.16	NA	1.46
PEG-4	ME713774	1.01	0.66	0.92	1.42	NA	NA	0.46	NA	1.51
DL-Lysine	ME713690	0.78	0.72	1.43	1.37	NA	NA	0.04	NA	1.37
8-Hydroxy-5,6-octadienoic acid	ME714420	0.82	0.59	1.35	1.32	NA	NA	0.15	NA	1.70
Dihydrouridine	ME713809	0.82	0.64	1.35	1.25	NA	NA	0.01	NA	1.88
Succinic anhydride	ME713888	1.47	1.00	1.17	0.52	NA	NA	0.09	NA	1.59
Glycocyamine	ME713825	1.03	1.27	1.09	0.82	NA	NA	0.00	NA	1.58
acetylserine	ME713645	1.23	1.22	1.13	0.67	NA	NA	0.01	NA	1.47
N,N-Dimethylglycine	ME713604	1.29	1.21	1.10	0.62	NA	NA	0.03	NA	1.53
LN	ME714537	1.10	1.19	1.30	0.56	NA	NA	0.03	NA	1.67
1-guanidino-1-deoxy-scyllo-inositol	ME714553	1.18	1.04	1.36	0.65	NA	NA	0.01	NA	1.53
Uric acid	ME713608	1.16	1.06	1.19	0.79	NA	NA	0.00	NA	1.60
nitrilotriacetic acid	ME714484	1.37	0.97	1.47	0.55	NA	NA	0.01	NA	1.27
Glutaric acid	ME713914	1.23	1.20	1.33	0.63	NA	NA	0.06	NA	1.16
Val-Leu	ME713950	1.13	1.32	1.44	0.49	NA	NA	0.00	NA	1.24
NP-002855	ME714337	1.01	0.99	1.37	0.77	NA	NA	0.43	NA	1.27
(2S)-6-Amino-2-[(E)-(hydroxymethylene)amino]hexanimidic acid	ME714855	1.13	0.97	1.23	0.85	NA	NA	0.37	NA	1.27
Caprolactam	ME713784	1.11	0.96	1.28	0.87	NA	NA	0.27	NA	1.29
N-acetyl-LL-2,6-diaminopimelic acid	ME713618	1.19	0.94	1.33	0.90	NA	NA	0.00	NA	1.27
US1840000	ME713731	1.25	0.80	1.29	1.04	NA	NA	0.01	NA	1.25
2-Amino-2-deoxy-4-O-Î²-D-galactopyranosyl-D-glucose	ME714605	1.12	1.11	1.34	0.82	NA	NA	0.01	NA	1.22
Allantoin	ME713601	1.07	1.15	1.31	0.85	NA	NA	0.00	NA	1.24
N(2)-succinyl-L-glutamic acid	ME714832	1.21	1.14	1.17	0.89	NA	NA	0.01	NA	1.16
Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate	ME713735	1.07	1.07	1.19	1.00	NA	NA	0.03	NA	1.31
N-Acetyl-L-glutamic acid	ME714206	1.15	1.05	1.19	0.97	NA	NA	0.01	NA	1.27
AL9450000	ME713540	0.95	1.13	0.80	1.13	NA	NA	0.49	NA	1.47
3-(Benzylsulfinyl)alanine	ME714549	1.09	1.17	0.85	1.18	NA	NA	0.03	NA	1.40
NP-013538	ME714255	0.99	0.88	1.16	1.12	NA	NA	0.07	NA	1.64
Imidazol-4-one-5-propionic acid	ME713611	1.06	1.06	1.01	1.11	NA	NA	0.00	NA	1.52
L-(-)-Threonine	ME713884	1.02	1.09	1.07	0.97	NA	NA	0.04	NA	1.66
1-(3-Furyl)-1,4-pentanediol	ME714190	1.34	0.50	1.55	0.96	NA	NA	0.56	NA	0.73
2-(2-Ethoxyethoxy)ethanol	ME714436	1.32	0.48	1.79	0.75	NA	NA	0.29	NA	1.03
Hydroxy-1,4-benzoquinone	ME714880	1.05	0.77	1.71	0.71	NA	NA	0.14	NA	1.38
Guaifenesin	ME713722	1.17	0.59	1.63	0.96	NA	NA	0.01	NA	1.30
(+)-Riboflavin	ME713814	1.34	0.66	1.49	1.00	NA	NA	0.00	NA	1.02
2,5-Dimethyl-4-ethoxy-3(2H)-furanone	ME714302	1.01	0.73	1.44	1.10	NA	NA	0.21	NA	1.22
2-Acetyl-3,5-dimethylfuran	ME714456	1.03	0.83	1.47	1.11	NA	NA	0.13	NA	1.00
Aminolevulinic acid	ME713855	1.19	0.92	1.48	0.91	NA	NA	0.06	NA	0.94
6-Pentyl-2H-pyran-2-one	ME713996	1.21	0.84	1.40	0.91	NA	NA	0.27	NA	1.03
N-Nonanoylglycine	ME714740	1.19	0.94	1.45	0.79	NA	NA	0.39	NA	0.89
D-Erythronolactone	ME713794	1.35	1.20	1.13	0.24	NA	NA	0.19	NA	1.97
2,5-Furandicarboxylic acid	ME713820	0.99	1.22	1.75	0.17	NA	NA	0.00	NA	1.71
5-Hydroxy-2-furoic acid	ME714121	1.19	1.11	1.58	0.33	NA	NA	0.01	NA	1.56
alpha-Ketoglutaric acid	ME714126	1.27	1.21	1.48	0.19	NA	NA	0.01	NA	1.70
Bicyclomycin	ME714375	1.30	1.37	1.37	0.18	NA	NA	0.01	NA	1.55
Glucose 1-phosphate	ME714388	1.01	0.96	1.04	0.56	NA	NA	0.43	NA	2.43
Cyprodenate	ME713813	0.79	1.32	0.86	0.73	NA	NA	0.41	NA	2.18
Lophocerine	ME714521	0.82	1.42	0.94	0.54	NA	NA	0.34	NA	2.20
LU3453000	ME713856	0.89	0.65	1.39	0.87	NA	NA	0.05	NA	2.36
Tetrahydro-5-oxo-2-furanacetic acid	ME713607	0.96	0.89	1.29	0.64	NA	NA	0.11	NA	2.31
gamma-Aminobutyric acid	ME713591	1.19	0.70	1.16	0.93	NA	NA	0.07	NA	1.98
(3E,5E)-3,5-Octadien-1-ol	ME714339	1.15	1.01	1.13	0.64	NA	NA	0.35	NA	1.81
pilocarpidine	ME714652	0.97	0.95	1.15	0.69	NA	NA	0.51	NA	1.99
Ethyl-3-thiopropionate	ME714755	1.05	1.03	1.30	0.64	NA	NA	0.02	NA	1.95
5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one	ME714062	0.95	0.99	1.13	0.90	NA	NA	0.27	NA	1.78
Meglutol	ME713586	1.04	0.97	1.22	0.83	NA	NA	0.07	NA	1.82
cyclohexyl[4-(2-methoxyphenyl)piperidino]methanone	ME715011	0.87	2.09	0.63	1.23	NA	NA	0.07	NA	0.29
UNII:6S7S02945H	ME714734	1.21	1.99	0.54	1.12	NA	NA	0.02	NA	0.26
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahydro-9H-furo[3,2-h]isochromen-9-one	ME714606	0.97	1.56	0.61	1.70	NA	NA	0.06	NA	0.28
(2E)-2-[2-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)ethyl]but-2-enedioic acid	ME713874	0.82	1.48	0.70	1.76	NA	NA	0.00	NA	0.47
(8E,10E,12S)-8,10-Heptadecadiene-4,6-diyne-1,12-diol	ME714867	0.72	1.63	0.60	1.84	NA	NA	0.07	NA	0.35
(1E)-1-(3-Oxo-6,7-dihydro-2-benzofuran-1(3H)-ylidene)-2-butanyl (2E)-2-methyl-2-butenoate	ME714942	0.57	2.07	0.48	1.66	NA	NA	0.06	NA	0.38
Sakuranetin	ME714472	0.68	1.86	0.58	1.61	NA	NA	0.02	NA	0.53
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid	ME714452	0.74	1.80	0.73	1.51	NA	NA	0.02	NA	0.44
NP-017061	ME714874	0.75	1.87	0.62	1.57	NA	NA	0.04	NA	0.32
3-(1,2-Dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxyhexopyranoside	ME714454	0.38	1.11	1.88	1.44	NA	NA	0.02	NA	0.36
folinic acid	ME714941	0.37	1.05	1.55	1.53	NA	NA	0.04	NA	0.96
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-yl)methanol	ME714963	0.76	0.40	2.46	1.17	NA	NA	0.15	NA	0.28
N,N^-Diethylthiourea	ME713627	0.88	0.44	2.53	1.08	NA	NA	0.00	NA	0.14
Decanamide	ME714860	0.48	0.40	2.49	1.22	NA	NA	0.18	NA	0.64
Valpromide	ME714328	0.60	0.36	2.35	1.41	NA	NA	0.05	NA	0.51
(Dimethylamino)acetaldehyde	ME714316	1.28	0.44	2.04	0.91	NA	NA	0.45	NA	0.19
TCMDC-132036	ME714932	1.49	0.13	2.30	1.00	NA	NA	0.06	NA	0.11
pentabamate	ME714009	0.83	0.90	1.45	1.41	NA	NA	0.01	NA	0.83
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine	ME713858	0.95	0.90	1.66	1.15	NA	NA	0.01	NA	0.68
Nicotinic acid	ME713701	0.92	0.99	1.54	1.12	NA	NA	0.00	NA	0.85
4-Methylumbelliferyl-a-D-glucopyranoside	ME714571	0.96	0.57	1.91	1.34	NA	NA	0.02	NA	0.43
(-)-Lupinine	ME714983	1.02	0.53	1.76	1.27	NA	NA	0.14	NA	0.70
1-Isopropenyl-3-isopropylbenzene	ME714404	0.76	0.84	1.95	1.26	NA	NA	0.03	NA	0.36
Ketamine	ME713803	0.66	0.86	1.99	1.26	NA	NA	0.00	NA	0.44
Hydroxyamphetamine	ME714878	0.96	0.93	1.77	1.07	NA	NA	0.04	NA	0.51
Tetrahydrogestrinone	ME714877	0.93	0.78	1.91	1.08	NA	NA	0.05	NA	0.54
2-Monocaprin	ME714949	0.97	0.88	1.93	0.96	NA	NA	0.18	NA	0.34
Benzoyl-y-tropeine	ME714560	1.00	0.95	1.80	1.12	NA	NA	0.03	NA	0.22
3-Carbamoyl-2-phenylpropionic acid	ME714778	1.66	0.39	1.53	1.18	NA	NA	0.04	NA	0.44
Hexanal	ME713610	1.17	0.63	1.50	1.68	NA	NA	0.00	NA	0.04
Tetramethylurea	ME713556	1.15	0.48	2.06	1.27	NA	NA	0.00	NA	0.09
Panthenyl ethyl ether	ME713639	1.16	0.83	1.73	1.28	NA	NA	0.00	NA	0.01
Diethylene glycol	ME713539	1.22	0.59	1.84	1.32	NA	NA	0.02	NA	0.03
Dipropylene glycol dimethyl ether	ME713477	1.27	0.69	1.83	1.19	NA	NA	0.01	NA	0.03
Isobutyric acid	ME713633	1.24	0.62	1.94	1.18	NA	NA	0.01	NA	0.03
(2E,4Z)-Heptadienal	ME713593	1.36	0.81	1.66	1.04	NA	NA	0.09	NA	0.16
LQ1825000	ME713599	1.37	0.81	1.68	1.05	NA	NA	0.03	NA	0.16
4-(2-Hydroxy-2-propanyl)-1-cyclohexene-1-carboxylic acid	ME714583	1.37	0.58	1.55	1.31	NA	NA	0.07	NA	0.31
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol	ME714536	1.22	0.69	1.59	1.31	NA	NA	0.16	NA	0.24
MFCD01182773	ME714892	1.18	0.72	1.64	1.35	NA	NA	0.02	NA	0.20
11-Nor-9-carboxy-thc	ME714488	1.22	0.88	2.09	0.31	NA	NA	0.02	NA	0.98
Citric acid	ME713502	1.42	1.07	1.74	0.42	NA	NA	0.00	NA	0.70
Leucyltyrosine	ME714231	1.26	1.05	1.61	0.64	NA	NA	0.01	NA	0.86
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid	ME713807	1.70	1.02	1.51	0.35	NA	NA	0.05	NA	0.81
g-Aminobutyryl-lysine	ME714385	1.67	1.09	1.65	0.37	NA	NA	0.01	NA	0.41
Oxalosuccinic acid	ME714073	1.61	1.13	1.57	0.41	NA	NA	0.00	NA	0.55
H-DL-MET-DL-MET-OH	ME714338	1.62	1.07	1.86	0.07	NA	NA	0.02	NA	0.74
Zolmitriptan	ME713991	2.00	1.03	1.67	0.07	NA	NA	0.00	NA	0.45
cis,trans-4-hydroxymuconic semialdehyde	ME714320	1.27	1.12	1.95	0.26	NA	NA	0.40	NA	0.40
NP-003459	ME714221	1.25	0.92	1.66	0.62	NA	NA	0.48	NA	0.60
Benzylformamide	ME714704	1.22	0.86	1.86	0.71	NA	NA	0.33	NA	0.37
Ethyl furfurylacetate	ME714555	1.39	0.74	1.74	0.81	NA	NA	0.26	NA	0.39
Leu-Gly-Pro	ME714628	1.66	1.00	1.70	0.54	NA	NA	0.01	NA	0.18
PPK	ME714788	1.51	1.04	1.91	0.40	NA	NA	0.02	NA	0.29
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine	ME714767	1.56	0.81	1.87	0.51	NA	NA	0.03	NA	0.48
(9E)-9-Undecenal	ME714596	1.58	0.58	1.86	0.67	NA	NA	0.21	NA	0.42
3-Phenylacrylic acid	ME715006	1.08	1.41	1.38	0.64	NA	NA	0.18	NA	0.82
[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid	ME714353	1.32	1.32	1.43	0.47	NA	NA	0.03	NA	0.87
Benzocaine	ME714111	1.17	1.43	1.57	0.42	NA	NA	0.01	NA	0.80
5-Hydantoinpropionic acid	ME713567	1.16	1.68	1.47	0.32	NA	NA	0.00	NA	0.72
(1S,4aR,5S)-5-[(3E)-5-Methoxy-3-methyl-5-oxo-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid	ME714535	1.22	1.38	1.66	0.46	NA	NA	0.01	NA	0.56
(1S)-6-Acetamidooctahydro-1-indolizinyl acetate	ME714800	1.33	1.48	1.60	0.34	NA	NA	0.02	NA	0.48
Isotretinoin	ME714463	1.77	1.61	0.97	0.18	NA	NA	0.04	NA	0.89
NP-006862	ME714148	1.56	1.65	0.99	0.32	NA	NA	0.01	NA	0.95
N,N-Diisopropylethylamine (DIPEA)	ME713943	1.43	1.56	1.41	0.20	NA	NA	0.03	NA	0.76
3,4-Didehydroretinoic acid	ME714865	1.50	1.43	1.29	0.32	NA	NA	0.07	NA	0.85
NP-014175	ME714818	1.62	1.26	1.32	0.30	NA	NA	0.10	NA	0.90
Isopropyl catechol	ME714263	1.67	0.74	1.38	0.66	NA	NA	0.45	NA	0.64
(+)-syringaresinol	ME714383	1.59	0.77	1.43	0.65	NA	NA	0.45	NA	0.67
3-(3-methylthio)propylmalic acid	ME714544	1.56	0.87	1.35	0.85	NA	NA	0.04	NA	0.70
Styrene	ME714574	1.52	0.85	1.29	0.83	NA	NA	0.27	NA	0.74
5-Geranyloxy-8-methoxy-psoralen	ME714925	1.58	0.77	1.49	0.74	NA	NA	0.20	NA	0.64
2-Deoxyhexopyranose	ME714903	1.53	0.83	1.43	0.74	NA	NA	0.21	NA	0.74
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	ME714402	1.51	0.81	1.42	0.78	NA	NA	0.24	NA	0.70
Bis(methylbenzylidene)sorbitol	ME713592	1.49	0.82	1.41	0.81	NA	NA	0.24	NA	0.68
cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid	ME714566	1.75	1.10	1.03	0.72	NA	NA	0.29	NA	0.52
N6-(2-(1H-imidazol-4-yl)ethyl)lysine	ME714999	1.77	1.13	1.19	0.71	NA	NA	0.03	NA	0.36
D-Amphetamine	ME715008	1.54	1.26	1.23	0.70	NA	NA	0.12	NA	0.41
Phenothrin	ME714985	1.62	1.23	1.05	0.84	NA	NA	0.04	NA	0.50
(-)-carnegine	ME714669	1.82	0.72	1.12	1.08	NA	NA	0.05	NA	0.46
Dipropylene glycol	ME714490	1.58	0.88	1.43	0.95	NA	NA	0.04	NA	0.28
PLH	ME714569	1.54	1.02	1.36	0.87	NA	NA	0.01	NA	0.40
(4S)-4-{[2-O-(beta-L-Arabinofuranosyl)-beta-L-arabinofuranosyl]oxy}proline	ME714327	1.46	1.06	1.15	1.03	NA	NA	0.00	NA	0.59
NP-018661	ME713810	1.52	1.11	1.09	1.04	NA	NA	0.01	NA	0.48
Mucronine B	ME714965	1.41	0.93	1.26	1.07	NA	NA	0.09	NA	0.58
NP-003399	ME714129	1.61	0.84	1.21	1.07	NA	NA	0.01	NA	0.54
(2E)-2-Heptenoic acid	ME714373	1.32	1.38	0.93	0.96	NA	NA	0.09	NA	0.70
ILK	ME714968	1.39	1.37	0.87	0.91	NA	NA	0.06	NA	0.85
Benzoxazolone	ME713893	1.70	1.34	0.72	0.87	NA	NA	0.00	NA	0.74
NP-003672	ME713980	1.66	1.26	0.81	0.83	NA	NA	0.01	NA	0.88
4-Ethylguaiacol	ME714819	1.43	1.39	0.81	1.01	NA	NA	0.30	NA	0.42
4-Oxocyclohexanecarboxylic acid	ME714928	1.34	1.36	1.03	0.85	NA	NA	0.32	NA	0.53
Sorbaldehyde	ME714952	1.52	1.41	0.88	0.75	NA	NA	0.31	NA	0.55
4-Oxononanal	ME713913	1.34	1.72	0.69	1.05	NA	NA	0.04	NA	0.37
N-[(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide	ME714642	1.36	1.55	0.84	1.02	NA	NA	0.05	NA	0.42
(10E,15Z)-9,12,13-Trihydroxy-10,15-octadecadienoic acid	ME714438	1.42	1.51	1.02	0.81	NA	NA	0.06	NA	0.42
[(1S)-2,2,3-Trimethyl-4-oxocyclopentyl]acetic acid	ME714267	1.46	1.39	1.07	0.76	NA	NA	0.06	NA	0.56
1-(2,4-Dihydroxyphenyl)-2-phenyl-1-propanone	ME715007	1.28	1.52	1.03	0.89	NA	NA	0.03	NA	0.53
DH2090000	ME715022	1.26	1.58	1.03	0.80	NA	NA	0.17	NA	0.49
6,7,9-Trihydroxy-3,6,9-trimethyl-3a,4,5,6,7,8,9,9b-octahydroazuleno[4,5-b]furan-2(3H)-one	ME714731	1.24	1.60	0.93	0.95	NA	NA	0.16	NA	0.40
allixin	ME714546	1.22	1.55	0.93	0.99	NA	NA	0.18	NA	0.44
2,6-dimethyldeca-2,4,6,8-tetraenedial	ME714631	1.30	1.68	0.94	0.86	NA	NA	0.04	NA	0.42
5-Phenylvaleric acid	ME714448	1.27	1.60	1.02	0.88	NA	NA	0.08	NA	0.38
cis-acetylacrylic acid	ME714076	1.00	1.32	1.20	0.78	NA	NA	0.31	NA	1.12
3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one	ME715017	1.25	1.57	1.05	0.68	NA	NA	0.04	NA	0.87
(2E)-N-(4-Aminobutyl)-3-(2,4-dihydroxy-3-methoxyphenyl)acrylamide	ME714547	1.04	1.52	1.07	0.91	NA	NA	0.01	NA	0.92
pyroglutamine	ME713997	1.05	1.54	1.14	0.69	NA	NA	0.08	NA	1.09
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione	ME713500	1.28	1.31	1.24	0.81	NA	NA	0.00	NA	0.74
DL-2,6-Diaminopimelic acid	ME714212	1.21	1.26	1.30	0.77	NA	NA	0.01	NA	0.93
D-Lactose monohydrate	ME713480	1.26	1.15	1.32	0.84	NA	NA	0.00	NA	0.84
(-)-Shikimic acid	ME714667	1.25	1.21	1.35	0.75	NA	NA	0.06	NA	0.81
Methyl 9-oxononanoate	ME714845	1.44	1.13	1.24	0.79	NA	NA	0.13	NA	0.65
7-ketodeoxycholic acid	ME714208	1.47	1.18	1.10	0.89	NA	NA	0.02	NA	0.71
NP-019374	ME713609	1.37	1.11	1.17	0.94	NA	NA	0.01	NA	0.81
2-(2-methylthioethyl)malic acid	ME714677	1.34	1.06	1.34	0.89	NA	NA	0.01	NA	0.72
fMet	ME714922	1.27	1.02	1.30	0.97	NA	NA	0.01	NA	0.87
xanthurenic acid 8-O-sulfate	ME713927	1.14	1.31	1.15	1.03	NA	NA	0.01	NA	0.75
3-O-methylgallic acid	ME714617	1.32	1.16	1.12	1.04	NA	NA	0.05	NA	0.67
spinacine	ME714703	1.27	1.11	1.18	1.09	NA	NA	0.03	NA	0.68
4-Coumaric acid	ME714056	1.20	1.17	1.22	1.05	NA	NA	0.00	NA	0.71
(E)-Aconitic Acid	ME713702	1.26	1.20	1.27	0.93	NA	NA	0.00	NA	0.68
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne	ME714157	1.26	1.21	1.20	0.96	NA	NA	0.00	NA	0.75
9-Anthroic acid	ME713557	1.24	1.22	1.21	0.95	NA	NA	0.00	NA	0.76
Hydroferulic acid	ME714811	0.97	1.33	1.25	1.05	NA	NA	0.12	NA	0.67
4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl hexanoate	ME713976	0.98	1.31	1.57	0.88	NA	NA	0.00	NA	0.52
Quinolacetic acid	ME714797	1.14	1.35	1.34	0.89	NA	NA	0.07	NA	0.48
MFCD27967839	ME714930	1.22	1.55	1.34	0.75	NA	NA	0.04	NA	0.26
Gabapentin	ME713936	1.29	1.34	1.21	0.79	NA	NA	0.16	NA	0.58
Guaifenesin Metabolite	ME714607	1.33	1.44	1.31	0.63	NA	NA	0.07	NA	0.51
Antiarol	ME714872	0.97	1.41	0.70	1.43	NA	NA	0.55	NA	0.43
Obliquine	ME714927	1.32	1.02	0.72	1.35	NA	NA	0.77	NA	0.40
4-Hydroxy-5-methylfuran-3(2H)-one	ME714199	0.78	0.78	0.90	1.91	NA	NA	0.62	NA	0.64
S-methyl D-thioglycerate	ME713937	0.80	0.82	0.82	1.84	NA	NA	0.75	NA	0.70
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one	ME714403	0.64	1.13	0.64	1.92	NA	NA	0.57	NA	0.75
Hexyl 2-furoate	ME714754	0.61	0.96	0.95	2.01	NA	NA	0.35	NA	0.61
Ethyl 2-methyl-3,4-pentadienoate	ME714394	0.71	1.28	0.83	1.82	NA	NA	0.56	NA	0.17
DELTA-9-CIS-TETRAHYDROCANNABINOL, (-)-	ME714979	0.64	1.38	0.75	1.89	NA	NA	0.05	NA	0.64
(4R,5S,9S,10R,12S,13S)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecan-10-ol	ME713850	0.72	1.29	0.66	1.88	NA	NA	0.38	NA	0.51
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one	ME714118	0.72	1.25	0.63	2.07	NA	NA	0.24	NA	0.44
10-Undecenoic acid	ME714006	1.38	0.91	0.99	1.13	NA	NA	0.24	NA	0.95
Phthaldialdehyde	ME714904	1.30	1.10	1.21	0.73	NA	NA	0.60	NA	0.70
2-Propyl-2,4-pentadienoic acid	ME713958	1.30	0.84	1.17	1.04	NA	NA	0.54	NA	0.75
Putrescine	ME713864	1.16	1.07	1.05	1.06	NA	NA	0.61	NA	0.70
4-[(Z)-2-Aminovinyl]phenol	ME714992	0.96	0.83	1.34	1.34	NA	NA	0.56	NA	0.50
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone	ME714881	0.85	0.79	0.82	1.62	NA	NA	0.94	NA	0.91
2,5-Dipropyl-4-methylthiazole	ME713869	1.02	0.96	0.82	1.43	NA	NA	0.73	NA	0.80
NP-002854	ME714471	0.89	0.84	0.99	1.45	NA	NA	0.67	NA	0.98
Pivagabine	ME714241	0.97	0.90	1.14	1.16	NA	NA	0.72	NA	0.93
1,5-Anhydro-D-erythro-hexo-2,3-diulose	ME713989	0.96	0.88	1.19	1.23	NA	NA	0.51	NA	0.98
DEET	ME714870	0.90	0.86	1.26	1.26	NA	NA	0.53	NA	0.91
Bis(4-ethylbenzylidene)sorbitol	ME713987	0.88	0.84	1.17	1.19	NA	NA	0.58	NA	1.26
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)	ME714223	0.83	0.87	1.33	1.02	NA	NA	0.67	NA	1.25
(2S)-2-Piperidinecarboxamide	ME713796	0.94	0.86	1.35	0.99	NA	NA	0.52	NA	1.18
Lactaroviolin	ME714951	1.38	0.41	1.18	1.78	NA	NA	0.04	NA	0.46
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid	ME714423	1.32	0.53	1.34	1.46	NA	NA	0.16	NA	0.53
Resorcinol diglycidyl ether	ME714749	1.26	0.50	1.37	1.63	NA	NA	0.05	NA	0.43
12,13-Epoxytrichothec-9-ene-4,7-diol	ME714900	1.20	0.55	1.18	1.71	NA	NA	0.37	NA	0.34
4-Methyl-2-propyltetrahydro-2H-pyran-4-yl acetate	ME714973	1.09	0.39	1.12	1.96	NA	NA	0.36	NA	0.54
Exemestane	ME714623	1.01	0.43	1.29	1.72	NA	NA	0.42	NA	0.68
LNK	ME713575	1.01	1.00	1.03	1.38	NA	NA	0.00	NA	1.15
N-Amidino-L-glutamate	ME713873	0.99	0.94	1.02	1.45	NA	NA	0.01	NA	1.20
Pro-Hyp	ME713617	0.99	0.96	1.08	1.33	NA	NA	0.00	NA	1.28
N-Acetyl-6-oxo-L-norleucine	ME713614	1.02	0.97	1.08	1.29	NA	NA	0.00	NA	1.28
Valylglutamine	ME713619	1.01	0.97	1.09	1.28	NA	NA	0.00	NA	1.30
L-(+)-Arginine	ME714289	1.04	0.94	1.09	1.20	NA	NA	0.00	NA	1.45
a-Lactose	ME713529	1.08	0.94	1.04	1.26	NA	NA	0.01	NA	1.35
Formiminoglutamic Acid	ME714132	1.04	0.93	1.08	1.24	NA	NA	0.05	NA	1.38
Dihydrouracil	ME713931	0.87	0.96	1.01	1.50	NA	NA	0.06	NA	1.27
Quinolinic acid	ME714152	0.84	0.93	0.97	1.56	NA	NA	0.01	NA	1.38
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]glutamic acid	ME714526	0.87	0.86	1.18	1.49	NA	NA	0.02	NA	1.19
(E)-p-coumaric acid	ME713533	0.97	0.79	1.12	1.43	NA	NA	0.00	NA	1.38
L-Tyrosine	ME713532	0.97	0.79	1.13	1.43	NA	NA	0.00	NA	1.36
4-Hydroxy-N~5~-[hydroxy(imino)methyl]ornithine	ME714967	1.13	0.83	0.98	1.50	NA	NA	0.03	NA	1.07
4-Imidazolemethanol	ME713756	1.05	0.93	0.93	1.60	NA	NA	0.02	NA	0.96
Acetanilide	ME713821	0.92	0.81	1.12	1.59	NA	NA	0.01	NA	1.12
1-(3-Amino-3-carboxypropyl)-5-oxoproline	ME713889	0.95	0.86	1.06	1.64	NA	NA	0.00	NA	1.00
phe-asn	ME714705	0.90	0.84	1.03	1.69	NA	NA	0.01	NA	1.07
Formylkynurenine	ME714753	0.95	0.86	0.96	1.61	NA	NA	0.05	NA	1.19
n-Ribosylhistidine	ME714131	0.93	0.99	0.96	1.57	NA	NA	0.01	NA	1.09
Ala-Thr	ME714192	1.10	0.70	0.96	1.72	NA	NA	0.01	NA	1.03
N-(1H-Pyrrol-2-ylcarbonyl)glycine	ME713789	1.05	0.69	0.99	1.80	NA	NA	0.00	NA	0.95
2,6-Dimethylpyrazine	ME713647	1.06	0.68	1.10	1.62	NA	NA	0.01	NA	1.06
N-Methylhistamine	ME713655	1.10	0.71	1.14	1.49	NA	NA	0.01	NA	1.11
N-acetyl-9-O-acetylneuraminic acid	ME714522	0.87	1.32	0.86	1.34	NA	NA	0.01	NA	1.21
NP-019722	ME713971	0.94	1.20	0.97	1.36	NA	NA	0.01	NA	1.04
Salicylaldoxime	ME713899	0.87	1.14	0.95	1.49	NA	NA	0.02	NA	1.08
Prolylleucine	ME713563	1.08	1.27	1.13	0.98	NA	NA	0.00	NA	1.09
2-Keto-glutaramic acid	ME714336	1.05	1.35	1.04	1.02	NA	NA	0.07	NA	1.04
Dihydrothymine	ME714382	1.09	1.30	1.05	1.05	NA	NA	0.05	NA	0.97
N2-Succinyl-L-glutamic acid 5-semialdehyde	ME714214	1.22	1.24	1.06	1.02	NA	NA	0.01	NA	0.92
N-Acetyl-L-aspartic acid	ME714215	1.13	1.19	1.20	0.99	NA	NA	0.04	NA	0.96
Digitoxose	ME713960	0.98	1.23	1.15	1.23	NA	NA	0.05	NA	0.77
Erbstatin Analog	ME714897	1.08	1.17	1.14	1.13	NA	NA	0.09	NA	0.88
Vanillin	ME714431	0.98	1.14	1.18	1.20	NA	NA	0.13	NA	0.87
(4R,5R)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)-2-cyclohexen-1-one	ME713708	1.19	1.16	1.00	1.13	NA	NA	0.00	NA	1.07
Gly-Phe	ME714633	1.04	1.13	1.09	1.23	NA	NA	0.02	NA	0.99
L-coprine	ME714220	1.05	1.12	1.10	1.21	NA	NA	0.02	NA	1.02
10-formyldihydrofolic acid	ME714946	1.22	0.73	1.23	1.34	NA	NA	0.02	NA	0.95
phe-asp	ME714108	0.91	0.95	1.11	1.61	NA	NA	0.00	NA	0.83
FG7175000	ME714317	1.01	0.98	1.04	1.49	NA	NA	0.01	NA	0.94
N-Acetyl-L-histidine	ME713660	0.94	0.99	1.07	1.50	NA	NA	0.00	NA	0.97
Gly-Leu	ME714079	0.97	1.00	1.11	1.51	NA	NA	0.00	NA	0.82
Leu-pro	ME714923	0.99	0.97	1.17	1.44	NA	NA	0.02	NA	0.85
Î±-N-Acetylcitrulline	ME713719	1.02	0.85	1.15	1.52	NA	NA	0.00	NA	0.90
L-Isoleucine	ME713509	1.08	0.89	1.13	1.47	NA	NA	0.00	NA	0.84
Monoethyl malonic acid	ME713792	1.06	0.96	1.17	1.36	NA	NA	0.04	NA	0.85
2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid	ME714573	1.06	1.05	1.06	1.37	NA	NA	0.02	NA	0.87
(Hydroxyethyl)methacrylate	ME713921	1.05	1.01	1.10	1.33	NA	NA	0.07	NA	0.95
pentoxyl	ME713694	1.05	1.00	1.09	1.36	NA	NA	0.01	NA	0.99
3,4-Methyleneadipic acid	ME714687	1.13	0.94	1.19	1.23	NA	NA	0.19	NA	0.83
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one	ME713969	1.08	1.05	1.19	1.19	NA	NA	0.09	NA	0.89
Proclavaminic acid	ME713974	1.06	1.06	1.24	1.21	NA	NA	0.01	NA	0.86
Aceglutamide	ME713555	1.12	1.01	1.20	1.20	NA	NA	0.00	NA	0.93
Melezitose	ME713632	1.18	0.95	1.19	1.24	NA	NA	0.00	NA	0.89
Thiacremonone	ME713929	1.14	0.95	1.20	1.28	NA	NA	0.01	NA	0.88
Gly-Lys	ME713849	1.03	0.98	1.31	1.27	NA	NA	0.00	NA	0.83
thr-pro	ME714072	0.96	0.93	1.29	1.38	NA	NA	0.00	NA	0.88
7,8-dihydroxykynurenic acid	ME714807	0.98	0.96	1.24	1.29	NA	NA	0.01	NA	1.06
pro-gln	ME714287	0.88	0.99	1.20	1.41	NA	NA	0.01	NA	1.04
Prolylglycine	ME713582	0.96	0.94	1.19	1.42	NA	NA	0.00	NA	0.99
2-Methyl-5-propionylfuran	ME714626	0.96	0.79	1.26	1.60	NA	NA	0.21	NA	0.56
N-Sulfanilyl-3,4-xylamide	ME714918	1.01	0.79	1.40	1.55	NA	NA	0.07	NA	0.41
met-pro	ME713819	1.03	0.77	1.26	1.70	NA	NA	0.00	NA	0.47
NP-016714	ME714689	1.00	0.81	1.31	1.63	NA	NA	0.03	NA	0.48
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]oct-5-yl)-3-methylbutanoic acid	ME714768	0.97	0.97	1.36	1.59	NA	NA	0.02	NA	0.19
2,2,3-Trimethyl-5-oxo-3-cyclopentene-1-acetic acid	ME714029	0.89	1.17	1.28	1.35	NA	NA	0.09	NA	0.53
(2R,6S)-2,6-Diamino-3-hydroxyheptanedioic acid	ME714523	1.00	0.99	1.39	1.41	NA	NA	0.03	NA	0.38
Eluxadoline	ME714682	0.99	1.03	1.46	1.31	NA	NA	0.03	NA	0.38
Adipic acid	ME713983	0.88	0.95	1.30	1.57	NA	NA	0.01	NA	0.58
1-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline-1,3-dicarboxylic acid	ME714510	0.91	0.99	1.39	1.50	NA	NA	0.03	NA	0.41
2-Hydroxy-cis-hex-2,4-dienoate	ME713967	0.89	0.93	1.39	1.54	NA	NA	0.03	NA	0.46
EPH	ME714207	0.86	0.99	1.38	1.52	NA	NA	0.01	NA	0.50
4-(5-{5-[(2S)-1-(4-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)morpholine	ME714168	0.88	0.66	1.31	1.65	NA	NA	0.19	NA	0.80
gln-lys	ME714218	0.91	0.60	1.40	1.64	NA	NA	0.01	NA	0.87
4-Piol	ME714765	0.80	0.60	1.41	1.92	NA	NA	0.08	NA	0.45
MFCD07778083	ME714696	0.86	0.60	1.62	1.63	NA	NA	0.02	NA	0.57
IN00260	ME713763	1.00	0.53	1.58	1.61	NA	NA	0.00	NA	0.55
(R)-(+)-Kavain	ME713866	0.97	0.55	1.49	1.71	NA	NA	0.00	NA	0.56
N-pentylpantothenamide	ME714729	1.23	0.83	1.14	1.66	NA	NA	0.03	NA	0.26
Carbendazim	ME714645	1.27	0.77	0.95	1.77	NA	NA	0.03	NA	0.43
3-Methylcyclopentene	ME713510	1.16	0.88	1.01	1.75	NA	NA	0.00	NA	0.40
Cyclohexylamine	ME713511	1.17	0.89	1.01	1.73	NA	NA	0.00	NA	0.40
Acadesine	ME714154	1.33	0.70	1.06	1.65	NA	NA	0.00	NA	0.50
NP-005519	ME714509	1.29	0.63	1.10	1.79	NA	NA	0.08	NA	0.31
Panthenol	ME714511	1.21	0.66	1.12	1.57	NA	NA	0.26	NA	0.61
3-(4-Hydroxyphenyl)-2-oxiranecarboxylic acid	ME714988	1.17	0.65	1.07	1.73	NA	NA	0.07	NA	0.69
Ureidopropionic acid	ME713746	1.21	0.71	0.95	1.79	NA	NA	0.02	NA	0.65
vanillylamin	ME714245	0.98	0.85	1.19	1.64	NA	NA	0.01	NA	0.67
4-Amino-4-deoxypentopyranose	ME713890	0.96	0.75	1.26	1.62	NA	NA	0.03	NA	0.78
N-Acetyl-D-quinovosamine	ME714262	0.97	0.81	1.17	1.62	NA	NA	0.01	NA	0.86
2,6-Diamino-4-methyleneheptanedioic acid	ME713771	0.78	0.85	1.24	1.76	NA	NA	0.02	NA	0.73
2,4^-dihydroxyacetophenone	ME714127	0.85	0.77	1.13	1.87	NA	NA	0.04	NA	0.73
ALA-PRO	ME714115	0.86	0.82	1.15	1.78	NA	NA	0.01	NA	0.78
Veronal	ME713946	0.90	0.80	1.16	1.72	NA	NA	0.01	NA	0.83
(2R)-4-[(E)-2-{[(1S)-1-Carboxy-4-hydroxybutyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid	ME714485	1.06	0.64	1.15	1.85	NA	NA	0.01	NA	0.59
1-Methyluric acid	ME713638	1.04	0.77	1.07	1.76	NA	NA	0.00	NA	0.71
3-Isopropenylpentanedioic acid	ME713835	0.96	0.77	1.11	1.80	NA	NA	0.02	NA	0.70
NP-020082	ME713775	0.95	0.79	1.10	1.80	NA	NA	0.03	NA	0.71
(5S)-3,5-Dihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one	ME713878	1.02	0.79	1.06	1.81	NA	NA	0.00	NA	0.65
Tazanolast	ME714018	0.99	0.80	1.08	1.81	NA	NA	0.00	NA	0.64
Indoxyl-ß-D-glucuronide	ME714089	0.96	0.74	1.18	1.76	NA	NA	0.00	NA	0.69
ser-gln	ME714993	0.98	0.71	1.15	1.83	NA	NA	0.03	NA	0.64
(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion	ME714175	0.90	1.02	0.87	1.78	NA	NA	0.03	NA	0.82
(6R)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranosonic acid	ME713841	0.83	0.90	0.90	1.88	NA	NA	0.01	NA	0.97
Dimethyl octanediimidate	ME714853	0.88	0.92	0.89	1.79	NA	NA	0.02	NA	1.02
pretyrosine	ME714352	0.91	0.95	0.84	1.82	NA	NA	0.01	NA	0.94
5-guanidino-2-oxopentanoic acid	ME713623	0.90	0.91	0.91	1.85	NA	NA	0.00	NA	0.86
Leucylasparagine	ME714155	0.88	0.88	0.99	1.84	NA	NA	0.01	NA	0.79
(Z)-N-[(2S)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]-3-{(Z)-[(2E)-1-hydroxy-4-methoxy-4-oxo-2-buten-1-ylidene]amino}-L-alanine	ME714117	0.86	0.84	1.00	1.88	NA	NA	0.00	NA	0.83
3-Ureidopropionic acid	ME713583	0.90	0.85	1.01	1.78	NA	NA	0.02	NA	0.91
Formylanthranilic acid	ME714944	0.93	0.91	0.95	1.72	NA	NA	0.08	NA	0.92
delta-guanidinovaleric acid	ME713587	0.85	0.74	1.11	1.80	NA	NA	0.01	NA	1.00
Imidazoleacetic acid	ME713916	0.92	0.77	0.99	1.90	NA	NA	0.00	NA	0.85
4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone	ME714538	0.93	0.75	1.01	1.89	NA	NA	0.01	NA	0.80
Succinylacetone	ME713923	0.95	0.78	1.00	1.88	NA	NA	0.02	NA	0.78
1-(beta-D-ribofuranosyl)thymine	ME713516	0.98	0.74	1.05	1.83	NA	NA	0.00	NA	0.80
MFCD00055957	ME714793	0.94	0.70	1.07	1.87	NA	NA	0.01	NA	0.84
4-ACETAMIDOBUTYRIC ACID	ME713795	0.91	0.79	0.87	1.94	NA	NA	0.05	NA	0.91
Seryl-4-hydroxyproline	ME713962	0.83	0.73	1.03	1.94	NA	NA	0.01	NA	0.96
Indole-3-acryloylglycine	ME713902	0.90	0.68	0.97	1.99	NA	NA	0.00	NA	0.90
Urocanic acid	ME713548	0.97	0.65	0.95	1.98	NA	NA	0.01	NA	0.89
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide	ME714893	1.12	1.00	0.82	1.88	NA	NA	0.05	NA	0.29
Tetramethylpyrazine	ME713898	1.09	0.98	0.94	1.79	NA	NA	0.00	NA	0.40
phe-lys	ME713823	1.14	0.92	0.88	1.85	NA	NA	0.00	NA	0.44
tranexamic acid	ME714166	1.07	0.98	0.84	1.90	NA	NA	0.01	NA	0.42
4-Hydroxyphenyl hydantoin	ME714760	1.11	1.04	0.75	1.85	NA	NA	0.01	NA	0.51
Ethyl methylphenylglycidate	ME714038	1.05	1.04	0.78	1.81	NA	NA	0.02	NA	0.62
Dihydrokavain	ME714773	1.16	1.13	0.73	1.75	NA	NA	0.07	NA	0.38
Allyl (2Z)-3-phenylacrylate	ME714528	1.18	1.14	0.75	1.68	NA	NA	0.01	NA	0.49
Heptadec-1,7,9-trien-11,13,15-triyne	ME714766	1.10	1.19	0.82	1.64	NA	NA	0.02	NA	0.47
12-oxo Phytodienoic Acid	ME714896	1.07	1.14	0.83	1.67	NA	NA	0.08	NA	0.52
4-oxo-5-phenylpentanoic acid	ME714937	1.09	1.08	0.82	1.72	NA	NA	0.07	NA	0.50
Guaiacol	ME714342	0.97	0.84	0.91	1.85	NA	NA	0.13	NA	0.74
2-Ethyl-4,5-dimethylthiazole	ME714248	1.02	0.98	0.83	1.74	NA	NA	0.26	NA	0.60
1,2-Benzoquinone	ME714610	0.97	0.94	0.95	1.70	NA	NA	0.22	NA	0.64
MFCD00046108	ME714520	1.03	0.83	0.97	1.76	NA	NA	0.19	NA	0.62
N-Acetyl-5-aminosalicylic acid	ME714351	1.08	0.83	1.04	1.75	NA	NA	0.00	NA	0.61
6-Oxo-pipecolinic acid	ME713764	1.10	0.80	1.00	1.79	NA	NA	0.02	NA	0.60
Methyl bisnorbiotinyl ketone	ME714087	1.08	0.81	1.01	1.81	NA	NA	0.00	NA	0.58
gamma-Glutamyl-3-[(1E)-1-propen-1-ylsulfinyl]alanine	ME714139	1.04	0.79	1.03	1.87	NA	NA	0.00	NA	0.55
(5R,6R)-2,6-Dihydroxy-5-(hydroxymethyl)-2-cyclohexen-1-one	ME713948	1.01	0.80	1.00	1.86	NA	NA	0.03	NA	0.65
nequinate	ME714213	1.02	0.78	0.98	1.90	NA	NA	0.01	NA	0.63
2-Deoxystreptidine	ME714329	1.04	0.95	0.94	1.80	NA	NA	0.05	NA	0.49
(+/-)-Metanephrine	ME714069	1.05	0.95	0.87	1.87	NA	NA	0.00	NA	0.53
CU8460000	ME714713	1.01	0.84	0.96	1.85	NA	NA	0.12	NA	0.56
Crotonic acid	ME713924	0.99	0.90	0.94	1.84	NA	NA	0.04	NA	0.63
Pyridoxine	ME713570	1.00	0.89	0.93	1.90	NA	NA	0.00	NA	0.56
Traumatic Acid	ME714548	1.00	0.89	0.98	1.84	NA	NA	0.03	NA	0.53
Prenisteine	ME714943	1.01	0.88	0.96	1.85	NA	NA	0.04	NA	0.57
Salicylic acid	ME714322	0.99	0.90	0.96	1.86	NA	NA	0.01	NA	0.57
2-Hydroxyhippuric acid	ME714142	0.80	0.87	1.06	1.93	NA	NA	0.00	NA	0.68
4-Ethylbenzaldehyde	ME714498	0.81	0.93	1.09	1.81	NA	NA	0.05	NA	0.68
NP-011878	ME714426	0.88	0.96	0.95	1.85	NA	NA	0.08	NA	0.63
(2S,8R)-2-Amino-8-hydroxydecanoic acid	ME713887	0.89	0.87	1.01	1.89	NA	NA	0.01	NA	0.67
trans-Zeatin	ME714252	0.91	0.84	1.00	1.87	NA	NA	0.01	NA	0.74
2,4-Dimethylbenzaldehyde	ME714497	0.90	0.87	1.06	1.83	NA	NA	0.04	NA	0.66
Benzenepentol	ME714250	0.93	0.89	0.98	1.87	NA	NA	0.03	NA	0.61
NP-019360	ME714093	0.93	0.85	1.03	1.86	NA	NA	0.06	NA	0.60
Cyclohexanone	ME714559	0.99	0.92	1.04	1.76	NA	NA	0.10	NA	0.49
N-Phenyl-beta-D-glucopyranosylamine	ME714434	0.93	0.92	1.01	1.89	NA	NA	0.01	NA	0.50
Ritodrine	ME714910	0.81	0.98	1.05	1.87	NA	NA	0.07	NA	0.52
Tetrahydrocortisone	ME714565	0.86	0.98	1.05	1.85	NA	NA	0.02	NA	0.51
Lipoamide	ME714229	1.12	0.94	0.92	1.69	NA	NA	0.02	NA	0.66
Methantheline	ME714491	1.18	0.98	0.82	1.71	NA	NA	0.00	NA	0.62
Myrmicacin	ME714201	1.15	1.02	0.93	1.61	NA	NA	0.02	NA	0.56
ilomastat	ME714780	1.13	1.08	0.88	1.64	NA	NA	0.02	NA	0.51
NP-011223	ME714249	1.11	1.05	0.88	1.66	NA	NA	0.05	NA	0.56
Alvameline	ME714053	1.16	0.98	0.98	1.63	NA	NA	0.00	NA	0.48
Cefuroxime axetil	ME714820	1.12	0.93	0.94	1.73	NA	NA	0.01	NA	0.52
2-Quinolinecarboxylic acid	ME713680	1.09	0.98	0.98	1.68	NA	NA	0.00	NA	0.53
Anofinic acid	ME714312	1.08	0.99	0.93	1.72	NA	NA	0.01	NA	0.56
NP-011220	ME714579	1.02	1.03	1.01	1.66	NA	NA	0.01	NA	0.56
Ginkgotoxin	ME713968	0.93	1.09	0.91	1.76	NA	NA	0.01	NA	0.59
(2Z)-2-Nonenoic acid	ME713911	1.01	1.04	0.93	1.73	NA	NA	0.03	NA	0.56
Cladinose	ME714659	0.99	1.00	0.97	1.74	NA	NA	0.01	NA	0.59
Gly-thr	ME714197	0.98	0.99	0.94	1.76	NA	NA	0.03	NA	0.62
4-Hydroxy-6-methyl-2-pyrone	ME713704	1.02	0.99	0.96	1.65	NA	NA	0.02	NA	0.75
ascopyrone M	ME713683	1.00	0.97	0.95	1.69	NA	NA	0.05	NA	0.72
L-(+)-norleucine	ME713845	1.02	0.94	0.94	1.72	NA	NA	0.03	NA	0.73
(+)-Saxitoxin	ME714588	1.05	1.04	0.89	1.68	NA	NA	0.01	NA	0.66
(-)-Corey lactone	ME713861	1.01	1.03	0.92	1.66	NA	NA	0.02	NA	0.71
L-3-nitrotyrosine	ME713846	1.00	1.04	0.89	1.68	NA	NA	0.00	NA	0.76
N-(3-Hydroxyhexanoyl)glycine	ME714340	0.91	1.07	0.98	1.68	NA	NA	0.01	NA	0.70
HC blue 2	ME714458	0.92	1.02	0.94	1.78	NA	NA	0.04	NA	0.66
2,4-Dimethyladipic acid	ME713837	0.94	0.98	0.97	1.74	NA	NA	0.02	NA	0.71
2-Hydroxyquinoline	ME714475	0.92	0.96	1.02	1.72	NA	NA	0.06	NA	0.72
4-Vinylcatechol	ME714505	0.91	0.96	1.00	1.74	NA	NA	0.08	NA	0.69
perlolyrine	ME713872	0.97	0.97	1.02	1.75	NA	NA	0.00	NA	0.58
2-formylphenylformamide	ME713674	1.01	0.92	1.01	1.73	NA	NA	0.01	NA	0.64
2-Methyl-3-phenylpropyl hydrogen sulfate	ME713728	0.96	0.92	1.01	1.79	NA	NA	0.00	NA	0.64
Pyrrole-2-carboxylic acid	ME714318	0.98	0.85	1.04	1.76	NA	NA	0.02	NA	0.74
3-Amino-4,7-dihydroxy-8-methylcoumarin	ME713862	0.97	0.94	0.94	1.81	NA	NA	0.00	NA	0.69
Methyl (3,5-dihydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate	ME714400	0.96	0.89	0.98	1.79	NA	NA	0.01	NA	0.73
DL-Homocysteine	ME713956	0.90	0.93	1.16	1.71	NA	NA	0.01	NA	0.60
mebutamate	ME713964	0.90	0.98	1.15	1.68	NA	NA	0.00	NA	0.58
2-Pyrrolidone	ME714335	0.88	1.00	1.16	1.60	NA	NA	0.11	NA	0.60
afegostat	ME714501	0.82	0.99	1.20	1.64	NA	NA	0.05	NA	0.66
3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid	ME714057	1.05	1.06	0.99	1.55	NA	NA	0.00	NA	0.71
4-Indolecarbaldehyde	ME714035	1.12	0.98	1.00	1.51	NA	NA	0.01	NA	0.76
DL-Tryptophan	ME713491	1.11	0.95	0.98	1.59	NA	NA	0.00	NA	0.75
trans-3-Indoleacrylic acid	ME713492	1.11	0.95	0.98	1.59	NA	NA	0.00	NA	0.75
Vanillyl alcohol	ME713721	1.05	1.04	1.12	1.43	NA	NA	0.02	NA	0.71
lidamidine	ME714580	1.03	1.03	1.09	1.53	NA	NA	0.01	NA	0.63
Portulacaxanthin III	ME713908	1.02	0.97	1.12	1.55	NA	NA	0.00	NA	0.66
4-Hydroxyphenylpyruvate	ME714990	1.10	0.91	1.09	1.56	NA	NA	0.04	NA	0.67
4-phenylbutanic acid-O-sulphate	ME714774	1.12	0.96	1.07	1.54	NA	NA	0.02	NA	0.61
5-Isopropyl-2-methyl-2-cyclohexen-1-one	ME714237	1.01	1.10	1.08	1.51	NA	NA	0.03	NA	0.56
Sebacic acid	ME713800	1.07	0.98	1.11	1.55	NA	NA	0.08	NA	0.50
3-hydroxy-L-glutamic acid	ME714095	1.09	1.01	1.03	1.55	NA	NA	0.06	NA	0.56
dihomomethionine	ME714618	1.11	1.00	1.05	1.59	NA	NA	0.01	NA	0.49
D-lysopine	ME714014	1.08	1.01	1.08	1.57	NA	NA	0.01	NA	0.51
mephenesin	ME714109	1.05	1.00	1.13	1.55	NA	NA	0.12	NA	0.41
cis-4-Hydroxycyclohexylacetic acid	ME714530	1.01	1.04	0.99	1.60	NA	NA	0.17	NA	0.55
Valerophenone	ME714974	0.93	1.08	0.98	1.69	NA	NA	0.10	NA	0.52
PPG n4	ME714712	0.83	0.81	0.83	1.77	NA	NA	0.46	NA	1.07
3-Imino-1,2,4-oxadiazepane-5-carboxylic acid	ME714136	0.89	0.64	1.10	1.62	NA	NA	0.58	NA	0.90
4-Methyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]tetrahydrofuran	ME714940	0.82	0.77	1.08	1.66	NA	NA	0.48	NA	0.85
MA4000000	ME714360	0.84	0.92	1.05	1.52	NA	NA	0.25	NA	1.07
Monobutyl phthalate	ME714496	0.94	0.74	1.16	1.60	NA	NA	0.37	NA	0.74
Boschnialactone	ME714186	0.97	0.82	1.12	1.60	NA	NA	0.20	NA	0.77
Brassylic acid	ME714662	1.02	0.83	1.14	1.48	NA	NA	0.22	NA	0.83
His-pro	ME713776	0.98	0.89	1.07	1.52	NA	NA	0.24	NA	0.83
delta-Nonalactone	ME714934	1.24	0.98	0.99	1.37	NA	NA	0.32	NA	0.52
Ethylparaben	ME714664	1.28	1.13	1.10	1.21	NA	NA	0.12	NA	0.44
1-Phenyl-2-hexanone	ME714772	1.29	1.17	0.96	1.25	NA	NA	0.14	NA	0.52
1-Tetradecylamine	ME714816	1.20	1.23	1.01	1.28	NA	NA	0.09	NA	0.46
n-Amylbenzene	ME714663	1.26	1.27	0.90	1.27	NA	NA	0.04	NA	0.57
(±)13-HpODE	ME714112	1.23	1.31	0.90	1.29	NA	NA	0.01	NA	0.53
NP-013663	ME714077	1.23	1.30	0.95	1.25	NA	NA	0.01	NA	0.52
2^-Amino-2,3-biphenyldiol	ME714876	1.20	1.28	1.09	1.14	NA	NA	0.06	NA	0.52
moroxydine	ME714240	1.24	1.23	1.01	1.18	NA	NA	0.02	NA	0.66
3-Methyl-2-butenyl caffeate	ME714502	1.09	1.18	1.10	1.42	NA	NA	0.04	NA	0.38
3-Methylthiofentanyl	ME714564	0.96	1.24	1.16	1.45	NA	NA	0.01	NA	0.37
3,4-Methylenesebacic acid	ME713993	1.15	1.29	0.93	1.41	NA	NA	0.04	NA	0.40
Capryloylglycine	ME714020	1.28	1.17	1.05	1.35	NA	NA	0.01	NA	0.31
Diaveridine	ME714413	1.21	1.15	1.08	1.37	NA	NA	0.07	NA	0.32
Clavamycin E	ME714370	1.05	1.17	0.88	1.52	NA	NA	0.01	NA	0.74
N-Acetyl-ala-ala-ala-methylester	ME713892	1.07	1.22	1.00	1.40	NA	NA	0.00	NA	0.61
267Z8UAR9Q	ME713932	1.04	1.21	0.95	1.45	NA	NA	0.04	NA	0.64
(5E)-2-[(Carboxymethyl)amino]-5-octenoic acid	ME713745	1.01	1.20	0.99	1.47	NA	NA	0.01	NA	0.64
2-[3-(Hydroxymethyl)-2-oxiranyl]phenol	ME714550	1.11	1.14	1.03	1.44	NA	NA	0.05	NA	0.49
9,16-dihydroxy-6-(hydroxymethyl)-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0Â?,â·.0ÂaÂ?,Âaâ¶]heptadec-12-en-14-one	ME714113	1.10	1.13	0.98	1.53	NA	NA	0.03	NA	0.49
(2E,6Z)-Nona-2,6-dienal	ME714160	1.23	1.18	0.94	1.37	NA	NA	0.03	NA	0.54
4-oxododecanedioic acid	ME714280	1.21	1.08	0.96	1.40	NA	NA	0.07	NA	0.62
Taurine	ME713673	1.15	1.10	0.93	1.40	NA	NA	0.01	NA	0.84
5-(2,5-dihydroxyhexyl)oxolan-2-one	ME715029	1.11	1.17	0.88	1.39	NA	NA	0.14	NA	0.75
Suberic acid	ME714401	1.16	1.11	0.96	1.31	NA	NA	0.24	NA	0.68
Biacetyl	ME713985	0.84	1.20	0.98	1.58	NA	NA	0.04	NA	0.75
ala-ile	ME713698	1.05	1.31	0.85	1.54	NA	NA	0.00	NA	0.52
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamide	ME714461	1.00	1.25	0.78	1.64	NA	NA	0.01	NA	0.66
Dopamine	ME713832	0.94	1.38	1.10	1.52	NA	NA	0.01	NA	0.10
lys-leu	ME714727	0.97	1.54	0.98	1.39	NA	NA	0.05	NA	0.21
.ALPHA.-TOCOPHERONIC ACID	ME714707	0.92	1.50	1.20	1.18	NA	NA	0.21	NA	0.20
MFCD00066435	ME713857	1.04	1.46	1.16	1.11	NA	NA	0.06	NA	0.38
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid	ME714648	0.91	1.73	0.87	1.29	NA	NA	0.06	NA	0.34
(4aS,5R,6S,8aS)-5-[(3E)-5-methoxy-3-methyl-5-oxopent-3-en-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid	ME715004	0.98	1.56	0.90	1.25	NA	NA	0.07	NA	0.52
(2E)-5-Hydroxyferulic acid	ME714141	1.06	1.52	0.98	1.14	NA	NA	0.01	NA	0.61
NP-016101	ME714164	1.04	1.62	0.94	1.10	NA	NA	0.00	NA	0.60
5,8,12-Trihydroxy-2-oxododecanoic acid	ME713879	1.18	1.46	1.01	1.08	NA	NA	0.03	NA	0.51
NP-005982	ME714204	1.09	1.36	1.03	1.22	NA	NA	0.01	NA	0.58
NP-022531	ME714326	1.04	1.43	1.01	1.22	NA	NA	0.01	NA	0.58
Diethyleneglycol diacetate	ME714443	0.89	1.47	0.94	1.32	NA	NA	0.10	NA	0.65
Epitestosterone	ME714948	0.84	1.60	1.05	1.22	NA	NA	0.04	NA	0.56
Anibine	ME714418	1.19	1.47	0.52	1.51	NA	NA	0.04	NA	0.58
TLK	ME714284	1.15	1.34	0.67	1.48	NA	NA	0.01	NA	0.71
N-Methylhexanamide	ME714122	1.13	1.64	0.73	1.34	NA	NA	0.01	NA	0.31
3,4,5-Trimethoxyphenyl ß-D-glucopyranoside	ME714702	1.10	1.47	0.75	1.38	NA	NA	0.02	NA	0.58
HMBA	ME715019	1.07	1.48	0.73	1.48	NA	NA	0.08	NA	0.40
Gingerdione	ME714135	0.98	1.82	0.56	1.36	NA	NA	0.02	NA	0.54
N-acetyl-N-hydroxy-L-ornithine	ME713531	0.94	1.60	0.73	1.34	NA	NA	0.00	NA	0.78
nylon cyclic dimer	ME714519	1.45	1.39	0.47	1.18	NA	NA	0.41	NA	0.60
(+/-)-Coniine	ME714842	1.45	1.39	0.78	1.19	NA	NA	0.02	NA	0.37
NP-021844	ME714581	1.44	1.45	0.55	1.26	NA	NA	0.15	NA	0.44
10-Nitrolinoleate	ME714978	1.25	1.61	0.67	1.23	NA	NA	0.26	NA	0.22
(Z)-1,3-Octadiene	ME714561	1.30	1.44	0.65	1.44	NA	NA	0.11	NA	0.21
4-Methoxycinnamaldehyde	ME713906	1.50	0.88	1.25	1.34	NA	NA	0.01	NA	0.05
Tributylamine	ME714163	1.42	1.07	1.12	1.38	NA	NA	0.01	NA	0.00
Leucyltryptophan	ME713806	1.06	0.82	1.59	1.29	NA	NA	0.00	NA	0.48
Lys-Pro	ME713549	1.18	0.79	1.48	1.27	NA	NA	0.00	NA	0.55
NP-020515	ME714449	1.28	0.74	1.55	1.08	NA	NA	0.23	NA	0.46
ethylbenzoate	ME714814	1.24	1.00	1.35	1.03	NA	NA	0.26	NA	0.49
(2R,5R)-2-Benzyl-5-(hydroxymethyl)-2,5-dihydro-2,3,5,6-pyrazinetetrol	ME714282	1.21	0.85	1.50	1.09	NA	NA	0.01	NA	0.67
Diethyl (2R,3R)-2-hydroxy-3-methylsuccinate	ME714697	1.22	0.97	1.40	1.03	NA	NA	0.09	NA	0.66
2,2^-[1,2-Propanediylbis(oxy)]diethanol	ME714578	1.32	1.14	1.28	1.11	NA	NA	0.09	NA	0.20
2,4-DIFURFURYLFURAN	ME714950	1.25	1.04	1.27	1.22	NA	NA	0.02	NA	0.39
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol	ME714636	1.14	1.22	1.21	1.21	NA	NA	0.14	NA	0.32
1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-S-methyl-5-thiopentitol	ME714182	1.27	0.95	1.19	1.17	NA	NA	0.01	NA	0.81
DL-Ala-DL-Phe	ME714106	1.20	0.89	1.34	1.13	NA	NA	0.01	NA	0.86
2-Methylthiazolidine	ME713615	1.17	0.87	1.29	1.31	NA	NA	0.00	NA	0.73
L-(-)-Methionine	ME713476	1.19	0.86	1.20	1.37	NA	NA	0.00	NA	0.76
Xanthosine	ME714387	1.10	1.07	1.31	1.12	NA	NA	0.02	NA	0.77
Folic acid	ME714725	1.17	1.02	1.26	1.20	NA	NA	0.02	NA	0.70
N,N-Diethylethanolamine	ME713507	1.14	0.99	1.24	1.30	NA	NA	0.00	NA	0.67
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid	ME714614	1.24	1.11	1.09	1.14	NA	NA	0.18	NA	0.65
Sedanolide	ME714043	1.28	1.11	1.07	1.18	NA	NA	0.14	NA	0.60
N-(2,4-Dihydroxy-5-methoxybenzoyl)glycine	ME714693	1.23	0.96	1.19	1.30	NA	NA	0.01	NA	0.63
Homoisovanillic acid	ME714899	1.24	1.02	1.19	1.23	NA	NA	0.06	NA	0.59
YLK	ME714750	1.25	0.99	1.20	1.27	NA	NA	0.01	NA	0.56
(2E)-3-(3,4-Dimethoxyphenyl)acrylic acid	ME714576	1.25	0.96	1.22	1.29	NA	NA	0.03	NA	0.54
(2R,3R,4S,5S,6R)-2-[(3Z)-hex-3-en-1-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol	ME714033	1.23	0.97	1.21	1.29	NA	NA	0.05	NA	0.55
2-Propionyl-1,4,5,6-tetrahydropyridine	ME714986	1.35	0.96	1.21	1.19	NA	NA	0.04	NA	0.54
p-Benzoquinone, methoxy	ME714966	1.34	1.04	1.16	1.17	NA	NA	0.04	NA	0.55
flamenol	ME714792	1.30	0.98	1.10	1.23	NA	NA	0.11	NA	0.65
isometheptene	ME715020	1.35	0.99	1.10	1.26	NA	NA	0.04	NA	0.58
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid	ME714264	1.21	0.95	1.13	1.41	NA	NA	0.07	NA	0.52
Arg-pro	ME714376	1.23	1.06	1.09	1.32	NA	NA	0.01	NA	0.58
Ethanal tetramer	ME714307	1.14	1.07	1.10	1.36	NA	NA	0.08	NA	0.57
L-Cysteinylglycine disulfide	ME714736	1.38	0.86	1.14	1.33	NA	NA	0.01	NA	0.55
Dolichotheline	ME714728	1.49	0.72	1.06	1.51	NA	NA	0.02	NA	0.43
met-arg	ME714188	1.45	0.80	1.10	1.40	NA	NA	0.00	NA	0.49
Nitrosoguvacoline	ME713905	1.38	0.79	1.11	1.46	NA	NA	0.05	NA	0.45
4-methylocta-2,4,6-trienedial	ME714770	1.16	0.87	1.32	1.41	NA	NA	0.13	NA	0.36
Dinobuton	ME714759	1.21	0.70	1.31	1.49	NA	NA	0.01	NA	0.57
(3Z,5Z)-6-(3,4-Dihydroxyphenyl)-4-hydroxy-3,5-hexadien-2-one	ME714065	1.29	0.77	1.22	1.40	NA	NA	0.01	NA	0.64
6,7-Epoxy-4,5-dihydroxy-2-octenoic Acid d-Lactone Acetate	ME714991	1.23	0.79	1.24	1.46	NA	NA	0.05	NA	0.52
5-(2,4,5-Trihydroxybenzyl)dihydro-2(3H)-furanone	ME714506	1.24	0.85	1.22	1.42	NA	NA	0.01	NA	0.53
Lathodoratin	ME714562	1.21	0.84	1.24	1.42	NA	NA	0.00	NA	0.57
3,4,5-Trimethoxyphenyl acetate	ME714761	1.37	0.66	1.38	1.30	NA	NA	0.04	NA	0.55
Lagochilin	ME714926	1.26	0.70	1.40	1.42	NA	NA	0.03	NA	0.41
Pinocembrin	ME713833	1.83	0.39	0.64	1.88	NA	NA	0.00	NA	0.54
(2Z,4E)-2,4-Hexadienedial	ME714710	1.80	1.20	0.61	1.05	NA	NA	0.31	NA	0.36
aspergillic acid	ME715012	1.79	1.21	0.47	1.32	NA	NA	0.07	NA	0.35
(2Z)-2-Ethyl-2-heptenal	ME713740	1.23	1.33	0.50	1.88	NA	NA	0.05	NA	0.05
Matairesinol	ME714647	1.65	0.95	0.68	1.58	NA	NA	0.02	NA	0.28
cuscohygrine	ME714709	1.36	0.94	0.60	1.86	NA	NA	0.04	NA	0.43
Atagabalin	ME713842	1.31	1.13	0.47	1.81	NA	NA	0.01	NA	0.54
Cyclo(leucylleucine)	ME713831	1.35	1.18	0.47	1.73	NA	NA	0.01	NA	0.54
Sodium [dodecanoyl(methyl)amino]acetate	ME714868	0.38	0.54	1.82	0.88	NA	NA	1.86	NA	0.88
(2E)-3-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid	ME714143	0.14	1.26	3.15	0.32	NA	NA	0.02	NA	0.26
Benzyl benzoate	ME714493	0.38	0.85	3.26	0.32	NA	NA	0.04	NA	0.34
Acetylhistamine	ME714608	3.04	0.25	0.14	1.36	NA	NA	0.19	NA	0.22
Methyl 2,3-dihydro-3-hydroxy-2-oxo-1H-indole-3-acetate	ME713577	2.94	0.01	1.74	0.31	NA	NA	0.00	NA	0.01
(E)-6-(methylsulfanyl)hexanal oxime	ME714961	2.14	0.32	1.14	0.98	NA	NA	0.26	NA	0.58
milipertine	ME714531	2.22	0.53	1.38	0.74	NA	NA	0.01	NA	0.26
Docosahexaenoic acid ethyl ester	ME714672	2.88	0.31	0.97	0.26	NA	NA	0.12	NA	1.03
Tris(2-butoxyethyl) phosphate	ME713712	2.67	0.40	0.94	0.50	NA	NA	0.28	NA	0.71
AC4620000	ME714044	3.05	0.54	0.85	0.36	NA	NA	0.05	NA	0.34
(1E)-N-Hydroxy-4-(methylsulfanyl)-1-butanimine	ME713732	2.69	0.78	0.89	0.39	NA	NA	0.01	NA	0.49
Thymine	ME713598	2.52	0.75	1.21	0.23	NA	NA	0.03	NA	0.57
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one	ME714034	1.33	0.15	2.17	0.62	NA	NA	0.02	NA	1.43
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecan-10-ol	ME714427	1.38	0.29	2.10	0.32	NA	NA	0.30	NA	1.51
1-{[(3S,4S,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]methyl}-2-pyrrolidinecarboxylic acid (non-preferred name)	ME713571	1.96	0.05	2.82	0.14	NA	NA	0.00	NA	0.05
Histamine	ME713750	1.56	0.29	2.60	0.23	NA	NA	0.31	NA	0.32
Cervonoyl ethanolamide	ME714783	1.76	0.25	2.09	0.44	NA	NA	0.06	NA	0.86
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone	ME714718	1.71	0.43	2.14	0.29	NA	NA	0.30	NA	0.56
cystophorene	ME714828	1.65	0.49	2.13	0.34	NA	NA	0.26	NA	0.50
(1S,2S,4aR,7R,8aR)-1-[(3Z)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyl-decahydronaphthalene-2,7-diol	ME714846	1.45	0.61	2.19	0.45	NA	NA	0.07	NA	0.53
3-oxolauric acid	ME714671	1.51	0.38	2.19	0.64	NA	NA	0.20	NA	0.36
5-Butyloxazole	ME714678	2.00	0.29	1.90	0.26	NA	NA	0.49	NA	0.62
Aceclidine	ME714862	1.71	0.37	1.85	0.39	NA	NA	0.44	NA	0.90
(+/-)-Tropinone	ME714275	1.69	0.49	1.77	0.38	NA	NA	0.59	NA	0.75
gamma-Heptalactone	ME714429	1.50	0.41	1.98	0.49	NA	NA	0.40	NA	0.84
NP-008993	ME714827	1.39	0.55	1.93	0.55	NA	NA	0.50	NA	0.66
Methyl (3aR,5Z,9E,11aS)-10-methyl-3-methylene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-6-carboxylate	ME714556	2.07	0.42	1.71	0.54	NA	NA	0.02	NA	0.49
1-(2-{[benzyl(methylsulfonyl)amino]methyl}phenyl)-4-piperidinecarboxylic acid	ME714717	1.93	0.55	1.92	0.38	NA	NA	0.02	NA	0.44
3-Hydroxyanthranilic acid	ME713919	2.00	0.56	1.81	0.30	NA	NA	0.01	NA	0.65
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione	ME714997	2.09	0.27	2.03	0.45	NA	NA	0.05	NA	0.26
lycopsamine	ME714909	2.07	0.23	2.05	0.51	NA	NA	0.02	NA	0.27
NL8513000	ME714690	2.21	0.13	2.38	0.18	NA	NA	0.06	NA	0.14
butoctamide	ME714055	2.34	0.08	2.26	0.04	NA	NA	0.03	NA	0.52
U-69593	ME714715	2.14	0.21	2.15	0.28	NA	NA	0.05	NA	0.40
(1R,5R)-3,3,5-Trimethylcyclohexyl 5-oxo-L-prolinate	ME714848	2.37	0.10	2.16	0.23	NA	NA	0.01	NA	0.26
(2Z)-2-(3-Hydroxybenzylidene)heptanal	ME714994	2.28	0.19	2.08	0.22	NA	NA	0.15	NA	0.31
Imagabalin	ME714467	2.38	0.14	2.07	0.18	NA	NA	0.06	NA	0.43
D-Sphingosine	ME713933	0.04	0.05	0.05	0.11	NA	NA	0.02	NA	9.48
N-Stearoyltyrosine	ME713772	0.06	0.05	0.05	0.08	NA	NA	0.02	NA	9.48
L-Glutathione oxidized	ME713749	0.06	0.06	0.07	0.12	NA	NA	0.00	NA	9.37
S-Adenosylhomocysteine	ME713797	0.05	0.06	0.06	0.15	NA	NA	0.01	NA	9.34
Adenosine 5^-monophosphate	ME713562	0.09	0.10	0.10	0.12	NA	NA	0.01	NA	9.19
L-Glutathione (reduced)	ME713779	0.09	0.07	0.08	0.15	NA	NA	0.01	NA	9.21
D-Erythro-sphingosine 1-phosphate	ME714602	0.10	0.09	0.10	0.14	NA	NA	0.11	NA	9.03
N-Pentacosanoylglycine	ME714695	0.09	0.10	0.10	0.09	NA	NA	0.11	NA	9.13
1-arachidonoyl-sn-glycero-3-phosphoethanolamine	ME713688	0.32	0.21	0.17	0.38	NA	NA	0.01	NA	7.84
Cys-pro	ME714358	0.13	0.17	0.11	0.53	NA	NA	0.02	NA	8.10
(7E,13Z)-3-Benzyl-6,12,15-trihydroxy-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,11,12,15-decahydro-1H-cycloundeca[d]isoindol-1-one	ME714912	0.27	0.17	0.18	0.26	NA	NA	0.14	NA	8.09
sphinganine	ME714624	0.15	0.18	0.14	0.34	NA	NA	0.19	NA	8.21
2-Aminooctadec-4-yne-1,3-diol	ME714670	0.13	0.15	0.13	0.14	NA	NA	0.11	NA	8.80
Cyclopamine	ME714769	0.11	0.10	0.13	0.15	NA	NA	0.13	NA	8.89
235BBF3K97	ME714487	0.17	0.18	0.20	0.15	NA	NA	0.19	NA	8.42
Glycerophospho-N-palmitoyl ethanolamine	ME714873	0.13	0.12	0.12	0.28	NA	NA	0.13	NA	8.57
Phytosphingosine	ME714447	0.16	0.10	0.06	0.38	NA	NA	0.07	NA	8.55
Indirubin	ME714975	0.28	0.33	0.86	1.44	NA	NA	0.36	NA	3.82
Hexylamine	ME713897	1.03	1.02	0.78	0.60	NA	NA	0.00	NA	3.11
L-Glutamic acid	ME713628	0.97	0.86	0.82	0.42	NA	NA	0.03	NA	3.83
Uracil	ME713769	0.81	0.80	0.86	0.47	NA	NA	0.01	NA	4.09
(2E)-5-(Methylsulfanyl)-2-[(methylsulfanyl)methyl]-2-pentenal	ME714296	0.62	0.58	0.78	0.35	NA	NA	1.50	NA	3.82
3-Methylxanthine	ME713692	0.65	0.62	0.80	0.35	NA	NA	1.42	NA	3.74
6,7-Dihydro-3H-purine-2,6-diamine	ME713839	1.05	0.45	0.44	1.18	NA	NA	0.92	NA	2.84
phenylpropiolic acid	ME714460	0.66	0.86	1.20	0.33	NA	NA	1.01	NA	2.88
2,5-Dimethyl-2,5-hexandiol	ME713895	1.00	0.43	1.18	0.43	NA	NA	0.84	NA	3.06
Sulcatol	ME713691	0.99	0.44	1.20	0.43	NA	NA	0.82	NA	3.05
RG7900000	ME714525	0.90	0.55	1.03	0.54	NA	NA	0.54	NA	3.44
(2Z,4E)-2,4-Octadien-1-ol	ME714392	0.79	0.53	0.94	0.74	NA	NA	0.68	NA	3.31
tetrahydro-2,5-dimethyl-2H-pyranmethanol	ME714234	0.78	0.53	0.96	0.78	NA	NA	0.63	NA	3.28
Kanosamine	ME713551	0.30	0.34	0.37	0.52	NA	NA	0.09	NA	6.84
S-methylglutathione	ME714500	0.34	0.24	0.28	0.72	NA	NA	0.06	NA	6.78
ISOXYL	ME713918	0.44	0.38	0.29	0.39	NA	NA	0.01	NA	6.99
Methionyl-4-hydroxyproline	ME715001	0.29	0.23	0.31	0.57	NA	NA	0.08	NA	7.14
N5-(4-chlorobenzoyl)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carboxamide	ME714369	0.50	0.51	0.55	0.45	NA	NA	0.90	NA	5.07
L-Ethionine	ME714804	0.43	0.26	0.37	1.17	NA	NA	0.04	NA	5.50
2^,4-Dihydroxychalcone	ME715010	0.19	0.34	0.22	1.16	NA	NA	0.19	NA	6.00
Threonylleucine	ME715027	0.34	0.31	0.34	0.98	NA	NA	0.09	NA	5.97
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	ME713843	0.55	0.68	0.59	0.79	NA	NA	0.00	NA	4.79
Flavin mononucleotide	ME714976	0.49	0.47	0.51	0.73	NA	NA	0.05	NA	5.54
Xanthine	ME713605	0.60	0.59	0.68	0.52	NA	NA	0.00	NA	5.20

Factors:

F1	Treatment:HS14 \| Source:Urine \| CF:Urine
F2	Treatment:HS21 \| Source:Urine \| CF:Urine
F3	Treatment:HS7 \| Source:Urine \| CF:Urine
F4	Treatment:LS \| Source:Urine \| CF:Urine
F5	Treatment:n/a \| Source:n/a \| CF:Cortex
F6	Treatment:n/a \| Source:n/a \| CF:OM
F7	Treatment:n/a \| Source:n/a \| CF:Urine
F8	Treatment:n/a \| Source:Urine Pool \| CF:Urine
F9	Treatment:Urine Pool \| Source:Urine Pool \| CF:Urine

Data matrix