Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002977)

(Analysis AN004887)

Metabolite	Structure	F1	F2	F3	F4
3-AMINO-4-HYDROXY-N-METHYL-BENZENESULFONAMIDE	ME770719	0.59	1.29	NA	NA
N-(3,4-DIHYDROXYPHENYL)ACETAMIDE	ME769491	0.43	1.46	NA	NA
2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL	ME769643	0.54	1.44	NA	NA
ATP	ME770445	0.50	1.51	NA	NA
9-(TETRAHYDROFURAN-2-YL)-9H-PURIN-6-AMINE	ME770837	0.63	1.65	NA	NA
(2S,4S)-4-CYCLOHEXYLPROLINE	ME770904	0.64	1.60	NA	NA
[6-(DIFLUOROMETHOXY)-3-PYRIDYL]METHYLAMINE	ME769444	0.67	1.63	NA	NA
N-PHENYLCARBAMIC ACID [2-(ETHYLAMINO)-2-KETO-1-METHYL-ETHYL] ESTER	ME769020	0.71	1.65	NA	NA
(1S,3R,5S,8R,9S,10S,13S,14S,17S)-1,10,13-TRIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL	ME769214	0.72	1.66	NA	NA
OLEOYL-EA	ME769112	0.72	1.66	NA	NA
S-ALLYLCYSTEINE	ME770432	0.71	1.66	NA	NA
(2-{[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-DOCOSA-7,10,13,16,19-PENTAENOYLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770505	0.71	1.66	NA	NA
3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO[1,2-A]PYRIMIDINE	ME769322	0.71	1.66	NA	NA
RANITIDINE	ME768953	0.70	1.67	NA	NA
LEU-LEU-TYR	ME770137	0.70	1.67	NA	NA
CREATININE	ME768875	0.70	1.67	NA	NA
CER(D18:1/18:1)	ME770734	0.70	1.67	NA	NA
4-[2-[[1-[2-(4-CARBOXYBUTYLAMINO)PHENYL]-3-METHYLBUTYL]AMINO]-2-OXOETHYL]-2-ETHOXYBENZOIC ACID	ME770454	0.70	1.67	NA	NA
7-[2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID	ME769961	0.70	1.67	NA	NA
5,8,14-TRIAZATETRACYCLO[10.3.1.02,11.04,9]HEXADECA-2,4,6,8,10-PENTAENE	ME769553	0.71	1.67	NA	NA
ACETIC ACID [(2S,3S,5S,8R,9S,10S,13S,14S,17R)-17-ACETOXY-10,13-DIMETHYL-16-(1-METHYLPIPERIDIN-1-IUM-1-YL)-2-PIPERIDINO-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTER	ME769081	0.71	1.67	NA	NA
2-METHYLPYRIDIN-3-OL	ME769032	0.68	1.67	NA	NA
(2R)-1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-OL	ME770704	0.69	1.67	NA	NA
~{N}-(2-HYDROXYETHYL)NICOTINAMIDE	ME770089	0.69	1.68	NA	NA
CURCUMIN	ME770198	0.69	1.68	NA	NA
4-HYDROXY-5-[2-[(E)-3-HYDROXYPROP-1-ENYL]-4-METHYL-PHENYL]-3-METHYL-HEXAN-2-ONE	ME769317	0.69	1.68	NA	NA
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[4-(7-HYDROXY-4-OXO-4H-CHROMEN-3-YL)PHENOXY]OXANE-2-CARBOXYLIC ACID	ME770494	0.69	1.68	NA	NA
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3R,5R,8R,9R,10S,13S,14S)-17-KETO-13-METHYL-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL]OXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME769530	0.69	1.68	NA	NA
2-ACETAMIDO-3-METHYL-BUTYRIC ACID (3-KETO-6,6,9A-TRIMETHYL-5,5A,7,8,9,9B-HEXAHYDRO-1H-BENZ[E]ISOBENZOFURAN-9-YL) ESTER	ME769464	0.69	1.68	NA	NA
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,3E,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL]-7A-METHYL-OCTAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXANE-1,3-DIOL	ME769424	0.69	1.68	NA	NA
2-(4-HYDROXY-3-METHOXYPHENYL)-6-[(E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-3,4-DIHYDRO-2H-PYRAN-4-ONE	ME769512	0.69	1.68	NA	NA
SM 36:1;2O(FA 26:1)	ME769298	0.70	1.68	NA	NA
COPROPORPHYRIN III	ME769565	0.70	1.68	NA	NA
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769325	0.70	1.68	NA	NA
CHOLIC ACID	ME769086	0.70	1.68	NA	NA
SM 28:2;2O/6:0	ME770237	0.66	1.71	NA	NA
BILIVERDIN	ME769932	0.66	1.71	NA	NA
5-(METHYLAMINO)-1-(3-PYRIDYL)PENTAN-1-ONE	ME770519	0.66	1.71	NA	NA
5-ETHENYL-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDIN-1-ONE	ME769230	0.66	1.71	NA	NA
(4E)-9-(1,1-DIMETHYLALLYL)-4-[[5-(1,1-DIMETHYLALLYL)-1H-IMIDAZOL-4-YL]METHYLENE]-2,5,16-TRIAZATETRACYCLO[7.7.0.02,7.010,15]HEXADECA-10,12,14-TRIENE-3,6-QUINONE	ME770398	0.66	1.71	NA	NA
(3Z)-3-[[5-(1,1-DIMETHYLALLYL)-1H-IMIDAZOL-4-YL]METHYLENE]-6-ISOPROPYL-PIPERAZINE-2,5-QUINONE	ME770046	0.66	1.71	NA	NA
(1R,6S,11AS,13S,14AR)-1,13-DIHYDROXY-6-METHYL-1H,4H,6H,7H,8H,9H,11AH,12H,13H,14H,14AH-CYCLOPENTA[F]OXACYCLOTRIDECAN-4-ONE	ME770673	0.66	1.71	NA	NA
(3-PHENETHOXYPHENYL)AMINE	ME769037	0.66	1.71	NA	NA
METHYL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOATE	ME769046	0.67	1.71	NA	NA
ANDROSTENEDIOL	ME770769	0.67	1.71	NA	NA
LEUCROSE	ME769270	0.67	1.71	NA	NA
5-(HYDROXYMETHYL)-4-(METHOXYMETHYL)-2-METHYLPYRIDIN-3-OL	ME770114	0.64	1.72	NA	NA
(3R)-3-[(Z)-3-HYDROXYOCTADEC-9-ENOYL]OXY-4-(TRIMETHYLAMMONIO)BUTYRATE	ME770362	0.65	1.73	NA	NA
PE 20:0_13:1	ME769136	0.65	1.72	NA	NA
PC O-16:0	ME770574	0.65	1.72	NA	NA
PC 15:0_20:3	ME769759	0.65	1.72	NA	NA
1,2-DI-(9Z,12Z-HEPTADECADIENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME769297	0.65	1.72	NA	NA
1-TRIDECANOYL-2-(9Z-HEPTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME770377	0.65	1.72	NA	NA
MORPHINE-3-GLUCURONIDE	ME770869	0.67	1.69	NA	NA
2-AMINO-3-[4-HYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL]PROPIONIC ACID	ME770832	0.66	1.69	NA	NA
2-METHYL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PYRAN-4-ONE	ME770918	0.66	1.68	NA	NA
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME770142	0.68	1.69	NA	NA
SM 14:1;2O/20:1	ME769107	0.69	1.69	NA	NA
TREHALOSE	ME768890	0.67	1.70	NA	NA
1-(9Z-HEPTADECENOYL)-2-(9Z-OCTADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769727	0.67	1.70	NA	NA
(1-TETRAHYDROFURAN-3-YL-4-PIPERIDYL)AMINE	ME770771	0.67	1.70	NA	NA
METHYL 2,3,6,7-TETRADEHYDRO-5ALPHA,12BETA,19ALPHA-ASPIDOSPERMIDINE-3-CARBOXYLATE	ME769303	0.68	1.70	NA	NA
(2R,3R,4S,5S,6R)-2-[(3-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXEN-1-YL)METHOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770299	0.68	1.70	NA	NA
(2R,7R,8R,9R,10S,20S)-7,8,9,19-TETRAHYDROXY-2,6,10,17-TETRAMETHYL-6,17-DIMETHYLOL-HEXACYCLO[12.8.1.01,14.02,11.05,10.015,20]TRICOS-12-ENE-20-CARBOXYLIC ACID	ME769507	0.68	1.70	NA	NA
MARGAROYL-EA	ME769336	0.64	1.74	NA	NA
LPC(16:0)	ME770492	0.64	1.74	NA	NA
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770010	0.64	1.74	NA	NA
FRANGULIN A	ME769263	0.64	1.74	NA	NA
N-[4-HYDROXY-3-(METHYLTHIO)PHENYL]ACETAMIDE	ME769613	0.64	1.73	NA	NA
4-(2-FURYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTER	ME770731	0.64	1.73	NA	NA
4-PIPERIDYL(PYRROLIDINO)METHANONE	ME770655	0.64	1.73	NA	NA
L-PROLYL-L-ASPARTIC ACID	ME769352	0.63	1.73	NA	NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS(3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL)CHROMONE	ME769640	0.62	1.74	NA	NA
DIHYDROTHYMINE	ME769777	0.63	1.74	NA	NA
N-PHENETHYL-1H-INDOLE-2-CARBOXAMIDE	ME769635	0.63	1.74	NA	NA
LPC O-22:0	ME770895	0.61	1.76	NA	NA
DIAZEPAM	ME768974	0.61	1.76	NA	NA
CREATINE	ME768873	0.61	1.76	NA	NA
7-CHLORO-5-(CYCLOHEX-1-EN-1-YL)-1-METHYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-2-ONE	ME769495	0.61	1.76	NA	NA
4-PIPERIDINOBUTYLAMINE	ME768981	0.61	1.76	NA	NA
(1-METHYL-3-PIPERIDYL)AMINE	ME769990	0.61	1.76	NA	NA
4-AMINO-N-(2,4-DIFLUOROPHENYL)BENZENESULFONAMIDE	ME769694	0.61	1.76	NA	NA
N-BENZHYDRYLMETHANESULFONAMIDE	ME769776	0.61	1.77	NA	NA
N-OLEOYL GLYCINE	ME769441	0.61	1.77	NA	NA
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME769603	0.62	1.75	NA	NA
N-(5-CHLORO-2H-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(OXAN-4-YLOXY)QUINAZOLIN-4-AMINE	ME769862	0.62	1.75	NA	NA
ISONICOTINIC ACID	ME768945	0.62	1.75	NA	NA
1-(P-TOLYL)BUTAN-1-ONE	ME769174	0.62	1.75	NA	NA
APIIN	ME770727	0.62	1.75	NA	NA
3-METHYLHISTIDINE	ME768897	0.63	1.75	NA	NA
GAMMA-LINOLENOYL-EA	ME769621	0.63	1.75	NA	NA
6-METHYL-1H-QUINAZOLIN-4-ONE	ME769560	0.62	1.71	NA	NA
4-[2-[(1R,4AS,5R,8AS)-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-3,4,4A,6,7,8-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL]-2H-FURAN-5-ONE	ME770878	0.59	1.71	NA	NA
2,5-DIAMINOPENTANOIC ACID	ME768857	0.61	1.73	NA	NA
[4-(AZEPAN-1-YL)PHENYL]AMINE	ME770002	0.59	1.73	NA	NA
METHYL (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOATE	ME769246	0.57	1.76	NA	NA
4-AMINO-2-METHYL-BENZAMIDE	ME769511	0.57	1.77	NA	NA
1-(1-ETHYL-3,5-DIMETHYL-PYRAZOL-4-YL)SULFONYLISONIPECOTIC ACID	ME769493	0.57	1.78	NA	NA
SUCCINIC ACID O1-METHYL ESTER O4-[[(5R,9S,13S)-5,9,13-TRIMETHYL-5-TETRACYCLO[11.2.1.01,10.04,9]HEXADEC-14-ENYL]METHYL] ESTER	ME770531	0.57	1.78	NA	NA
1-(4-PIPERIDYL)ETHANOL	ME769784	0.59	1.77	NA	NA
SERINE	ME769750	0.59	1.78	NA	NA
MALVIN	ME770528	0.59	1.78	NA	NA
CHOLINE PHOSPHATE	ME770919	0.59	1.78	NA	NA
(2R)-2-(3-ACETAMIDOPROPANAMIDO)-3-(1H-IMIDAZOL-5-YL)PROPANOIC ACID	ME768864	0.59	1.78	NA	NA
2-[N-[2-(ACETYLOXYMETHOXY)-2-OXOETHYL]-2-[2-[2-[BIS[2-(ACETYLOXYMETHOXY)-2-OXOETHYL]AMINO]PHENOXY]ETHOXY]ANILINO]ACETIC ACID ACETYLOXYMETHYL ESTER	ME770384	0.59	1.78	NA	NA
(2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME768987	0.59	1.78	NA	NA
(2-METHYLBENZIMIDAZOL-1-YL)AMINE	ME769679	0.59	1.78	NA	NA
PI-CER 34:0;3O	ME769809	0.60	1.77	NA	NA
(1R,2R,9R,17S)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTADECAN-6-ONE	ME770466	0.60	1.78	NA	NA
ACETIC ACID [2-[(3S,5R,8S,9S,10S,11S,13S,14S,17R)-3-ACETOXY-11,17-DIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]-2-KETO-ETHYL] ESTER	ME769944	0.60	1.78	NA	NA
N-(2,6-DIMETHYLPHENYL)-2-(2-OXOPYRROLIDIN-1-YL)ETHANIMIDIC ACID	ME769790	0.58	1.79	NA	NA
L-TYROSYL-L-TRYPTOPHAN	ME769104	0.58	1.79	NA	NA
[5-(ETHOXYMETHYL)-2-METHYL-PYRIMIDIN-4-YL]AMINE	ME769590	0.58	1.79	NA	NA
1-(3,4-DIMETHOXYPHENYL)-2-(METHYLAMINO)PROPAN-1-ONE	ME770199	0.58	1.79	NA	NA
5ALPHA-PREGNANE-3,20-DIONE	ME770328	0.58	1.79	NA	NA
UREIDOPROPIONIC ACID	ME768900	0.59	1.79	NA	NA
3-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]-1H-INDOL-5-OL	ME769412	0.59	1.79	NA	NA
(3R,4R)-3-HYDROXY-3,4-DIVANILLYL-TETRAHYDROFURAN-2-ONE	ME770443	0.59	1.79	NA	NA
MANNITOL	ME768881	0.57	1.79	NA	NA
3-GUANIDINOPROPANOIC ACID	ME769612	0.58	1.80	NA	NA
VALSARTAN	ME768985	0.58	1.80	NA	NA
6-ETHOXY-2-(ETHYLTHIO)-1H-BENZIMIDAZOLE	ME770306	0.57	1.80	NA	NA
(8S)-8-AMINO-7-OXONONANOIC ACID	ME769378	0.57	1.80	NA	NA
(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-DIHYDROXYETHYL]-3,17-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-11-ONE	ME770658	0.54	1.78	NA	NA
ACEXAMIC ACID	ME770245	0.53	1.77	NA	NA
1-HEXADECANOYL-2-(9Z-HEPTADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769150	0.55	1.82	NA	NA
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID	ME768886	0.55	1.83	NA	NA
(5Z,8Z,11Z,14Z)-N-(4-HYDROXYPHENYL)EICOSA-5,8,11,14-TETRAENAMIDE	ME769482	0.55	1.83	NA	NA
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7,8,9,9B-OCTAHYDROBENZO[E]BENZOFURAN-2-ONE	ME769486	0.53	1.82	NA	NA
(3R,5S,8R,9R,10S,13S,14S,17S)-17-ETHYL-13-METHYL-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL	ME769380	0.53	1.82	NA	NA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769542	0.54	1.84	NA	NA
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5S)-6-HYDROXY-1,5-DIMETHYL-HEXYL]-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	ME770569	0.53	1.84	NA	NA
1-PHENYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE	ME770763	0.53	1.84	NA	NA
2,2,2-TRIFLUORO-N-(2-METHYL-5-NITRO-PHENYL)ACETAMIDE	ME770168	0.53	1.84	NA	NA
2-[4-(CYANOMETHYL)PIPERAZINO]ACETONITRILE	ME769390	0.53	1.83	NA	NA
L-TYROSYL-L-HISTIDINE	ME770459	0.54	1.83	NA	NA
CYCLOPROPYL(3-PYRIDYL)METHANOL	ME770118	0.54	1.83	NA	NA
(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-ONE	ME770808	0.54	1.83	NA	NA
(3S,4R,5R)-1,4,5,6-TETRAHYDROXY-3-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXAN-2-ONE	ME768940	0.54	1.83	NA	NA
CAR(8:0)	ME769213	0.56	1.82	NA	NA
5ALPHA-TETRAHYDROCORTICOSTERONE	ME770016	0.56	1.82	NA	NA
5-HYDROXY-3^,4^,5^,6,7,8-HEXAMETHOXYFLAVONE	ME770708	0.56	1.82	NA	NA
L-HISTIDYLGLYCINE	ME769689	0.56	1.81	NA	NA
4-METHYL-5,6,7,8-TETRAHYDROQUINOLINE-8-CARBOXIMIDOTHIOIC ACID	ME769915	0.56	1.81	NA	NA
(2R,3R,4S,5S,6R)-2-[3-(2-HYDROXYETHYL)-4-METHYLOL-HEX-5-ENOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME769688	0.56	1.81	NA	NA
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-PHENYL-BUTAN-2-YL]AMINO]HEXANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	ME770791	0.56	1.81	NA	NA
ALPHA-LINOLENOYL-EA	ME769397	0.57	1.81	NA	NA
PRAZEPAM	ME769765	0.57	1.81	NA	NA
L-SORBOSONIC ACID	ME770192	0.54	1.80	NA	NA
METHYL(TETRAHYDROFURFURYL)AMINE	ME770210	0.54	1.80	NA	NA
5-BUTYL-2-(ETHYLAMINO)-6-METHYLPYRIMIDIN-4-YL DIMETHYLSULFAMATE	ME769255	0.55	1.81	NA	NA
N-ACETYLTHREONINE	ME770751	0.55	1.80	NA	NA
2-[[4-(5-ETHYLPYRIMIDIN-4-YL)PIPERAZINO]METHYL]-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE	ME769277	0.79	1.57	NA	NA
MUSCARINE	ME770171	0.79	1.57	NA	NA
(1R,4AR,6AR,7S)-1-HYDROXY-2-KETO-7,8-DIMETHYL-1-METHYLOL-4,4A,6A,7-TETRAHYDROPENTALENO[1,6A-C]PYRAN-5-CARBOXYLIC ACID	ME770567	0.78	1.58	NA	NA
IMIDAZOLEACETIC ACID	ME768930	0.79	1.58	NA	NA
ALPHA-D-MANNOPYRANOSYL-(1->2)-D-MANNOPYRANOSE	ME770597	0.79	1.58	NA	NA
(3S,5S,8R,9S,10S,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1-METHYLENE-3,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-2H-CYCLOPENTA[A]PHENANTHREN-17-ONE	ME770411	0.79	1.58	NA	NA
4-[2-HYDROXY-2,6,6-TRIMETHYL-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-CYCLOHEXYLIDENE]BUT-3-EN-2-ONE	ME769857	0.79	1.58	NA	NA
(E)-6-(1,3-DIHYDROXY-4,4,8,10,14-PENTAMETHYL-2,3,5,6,7,9,11,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-2-METHYL-HEPT-2-ENOIC ACID	ME770404	0.80	1.58	NA	NA
25-HYDROXYVITAMIN D3	ME769569	0.80	1.58	NA	NA
2-AMINOETHYL [(2R)-2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] PHOSPHATE	ME770543	0.80	1.58	NA	NA
ANDROSTERONE	ME769948	0.81	1.57	NA	NA
[(1S,2S,5S,7S,10R,11S,15S)-2,15-DIMETHYL-14-OXOTETRACYCLO[8.7.0.0^{2,7}.0^{11,15}]HEPTADECAN-5-YL]OXIDANESULFONIC ACID	ME770451	0.81	1.57	NA	NA
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(DIMETHYLAMINO)ETHOXY]PHOSPHINIC ACID	ME770093	0.81	1.57	NA	NA
HISTIDINE	ME768891	0.80	1.57	NA	NA
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACID	ME770876	0.80	1.57	NA	NA
BOC-HIS-OH	ME770499	0.80	1.57	NA	NA
15-KETO-PGE1	ME770234	0.82	1.56	NA	NA
POLYGODIAL	ME769060	0.82	1.56	NA	NA
SULFAMIC ACID [(1R,2S,6S,9R,11S)-4,4,11-TRIMETHYL-11-METHYLOL-3,5,7,10,12-PENTAOXATRICYCLO[7.3.0.02,6]DODECAN-6-YL]METHYL ESTER	ME770056	0.81	1.56	NA	NA
4-BROMOPIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER	ME769078	0.81	1.56	NA	NA
4-AMINO-1-METHYL-1,2-DIHYDROPYRIMIDIN-2-ONE	ME769458	0.81	1.56	NA	NA
4-(ACETOACETYLAMINO)BENZOIC ACID ETHYL ESTER	ME770251	0.81	1.56	NA	NA
3-AMINO-4-METHYLPENTANOIC ACID	ME769355	0.81	1.56	NA	NA
(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANAL	ME769244	0.81	1.56	NA	NA
[2-(M-TOLYL)-1,3-BENZOXAZOL-5-YL]AMINE	ME769514	0.81	1.56	NA	NA
2-[2-[4-(11-KETOBENZO[B][1,4]BENZOTHIAZEPIN-6-YL)PIPERAZINO]ETHOXY]ETHANOL	ME769331	0.81	1.56	NA	NA
(2E)-N-[2-(4-METHOXYPHENYL)ETHYL]-3-PHENYLPROP-2-ENAMIDE	ME770526	0.81	1.56	NA	NA
BENZOXY(METHYL)AMINE	ME770613	0.82	1.55	NA	NA
(4AR,5R,6AS,6BR,10S,12AR)-10-[(2R,3R,4R,5S,6R)-3-ACETAMIDO-6-[[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXYMETHYL]-4,5-DIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-2,2,6A,6B,9,9,12A-HEPTAMETHYL-5-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	ME770444	0.82	1.55	NA	NA
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID	ME769347	0.82	1.55	NA	NA
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACETIC ACID	ME770365	0.82	1.55	NA	NA
13Z-DOCOSENAMIDE	ME770132	0.82	1.54	NA	NA
CIS-ERUCIC ACID	ME768878	0.82	1.54	NA	NA
[5-(M-TOLYL)-1,3,4-OXADIAZOL-2-YL]AMINE	ME769509	0.83	1.54	NA	NA
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-1-[(2R,5R)-5-HYDROXY-6-METHYLHEPTAN-2-YL]-7A-METHYL-OCTAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXANE-1,3-DIOL	ME769093	0.83	1.54	NA	NA
(2S)-1-[(2S)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	ME770836	0.83	1.54	NA	NA
1-BUTYL-N-(2,6-DIMETHYLPHENYL)PIPERIDINE-2-CARBOXAMIDE	ME769641	0.69	1.58	NA	NA
3-PHENETHYL-1-(2-PYRIDYL)ISOTHIOUREA	ME769387	0.73	1.56	NA	NA
[1,1^-BIPHENYL]-2,2^-DIOL	ME769485	0.76	1.61	NA	NA
(2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769698	0.76	1.61	NA	NA
N-(2,4,6-TRIMETHYLPHENYL)-3-BICYCLO[2.2.1]HEPTANECARBOXAMIDE	ME770083	0.77	1.61	NA	NA
GENIPIN	ME769061	0.77	1.61	NA	NA
2,2,4,7-TETRAMETHYL-1H-QUINOLINE	ME769318	0.77	1.61	NA	NA
(3R,5R)-3,5-DIHYDROXY-7-[2-ISOPROPYL-4,5-DIPHENYL-3-(PHENYLCARBAMOYL)PYRROL-1-YL]ENANTHIC ACID	ME770115	0.77	1.61	NA	NA
(10S,13S)-10-ISOPROPYL-9-METHYL-13-METHYLOL-3,9,12-TRIAZATRICYCLO[6.6.1.04,15]PENTADECA-1,4(15),5,7-TETRAEN-11-ONE	ME769680	0.79	1.59	NA	NA
2-BENZOYLOXYETHYL(TRIMETHYL)AMMONIUM	ME769438	0.79	1.59	NA	NA
TETRAHYDROCORTISOL	ME769023	0.78	1.59	NA	NA
1-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769985	0.78	1.59	NA	NA
(4S)-4-AMINO-5-[[(1S)-1-[[(1S)-1-CARBOXY-2-PHENYL-ETHYL]CARBAMOYL]-2-METHYL-PROPYL]AMINO]-5-KETO-VALERIC ACID	ME769321	0.78	1.59	NA	NA
NORBOLETHONE	ME769316	0.78	1.60	NA	NA
BETA-MURICHOLIC ACID	ME769243	0.78	1.60	NA	NA
(2S)-2-[[(2R)-5-KETOPROLYL]AMINO]-3-METHYL-BUTYRIC ACID	ME770553	0.78	1.60	NA	NA
2-CHLORO-N-{[(6-IMINO-2-METHYL-1,6-DIHYDROPYRIMIDIN-5-YL)METHYL]-C-HYDROXYCARBONIMIDOYL}-N-NITROSOETHAN-1-AMINE	ME770848	0.78	1.60	NA	NA
(1R,10S,13S)-9-OXA-4,13-DIAZATETRACYCLO[11.2.1.0^{1,10}.0^{3,8}]HEXADECA-3(8),4,6-TRIENE	ME770112	0.78	1.60	NA	NA
2-AZANYL-4-(2-METHYLBUTAN-2-YL)PHENOL	ME769030	0.78	1.60	NA	NA
1-METHYL-4-[2-(4-PIPERIDYL)ETHYL]PIPERAZINE	ME769121	0.77	1.59	NA	NA
PHENYLEPHRINE	ME770099	0.77	1.60	NA	NA
2-(4-HYDROXYPHENYL)ETHYL (1S,4AR,7AR)-1-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-7-METHYL-4A-OXIDANYL-5-OXIDANYLIDENE-1,6,7,7A-TETRAHYDROCYCLOPENTA[C]PYRAN-4-CARBOXYLATE	ME769582	0.77	1.60	NA	NA
3-(M-TOLUIDINO)PROPIONITRILE	ME770230	0.77	1.60	NA	NA
(2R,2^S,3^R,4^AS,6^R,8^AS)-2^,3^,4-TRIHYDROXY-1^,1^,4^A,6^-TETRAMETHYL-SPIRO[7,8-DIHYDRO-3H-FUR[2,3-E]ISOINDOLE-2,5^-DECALIN]-6-ONE	ME770800	0.74	1.60	NA	NA
2-[2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPAN-1-OL	ME770140	0.72	1.59	NA	NA
PIPERIDINE-2,6-DICARBONITRILE	ME770921	0.73	1.61	NA	NA
13,14-DIHYDRO-15-KETO-PGD2	ME770225	0.72	1.61	NA	NA
LUP-20(29)-ENE-3BETA,28-DIOL	ME769324	0.72	1.60	NA	NA
(E)-4-(3,4-DIHYDROXYPHENYL)BUT-3-EN-2-ONE	ME770383	0.76	1.62	NA	NA
SULFAMIC ACID [(2S,6S,9R)-4,4,11,11-TETRAMETHYL-3,5,7,10,12-PENTAOXATRICYCLO[7.3.0.02,6]DODECAN-6-YL]METHYL ESTER	ME770668	0.75	1.63	NA	NA
VINCOSAMIDE	ME769638	0.75	1.62	NA	NA
THIAMINE	ME769576	0.75	1.62	NA	NA
N-CYCLOHEXYLPYRROLIDINE-1-CARBOXAMIDE	ME769521	0.75	1.62	NA	NA
6-MALEIMIDOHEXANOIC ACID	ME770266	0.75	1.62	NA	NA
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID	ME770909	0.75	1.62	NA	NA
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID	ME769139	0.75	1.62	NA	NA
1-(2-BROMOPHENYL)-3,5-DIMETHYL-PYRAZOLE	ME770920	0.75	1.62	NA	NA
1H-INDOL-2-OL	ME770644	0.71	1.63	NA	NA
BENZENESULFONIC ACID [(E)-(5-CYCLOHEXYL-4-KETO-2-METHYL-CYCLOHEXA-2,5-DIEN-1-YLIDENE)AMINO] ESTER	ME770049	0.71	1.64	NA	NA
CITRULLINE	ME768938	0.74	1.64	NA	NA
1-AMINO-3-(P-TOLYL)THIOUREA	ME769472	0.73	1.63	NA	NA
1-METHYL-2,3,4,9-TETRAHYDROPYRIDO[3,4-B]INDOL-7-ONE	ME770534	0.74	1.63	NA	NA
(E)-5-PHENYLPENT-4-EN-1-OL	ME769931	0.74	1.63	NA	NA
8-[(1S,5R)-5-(3-HYDROXY-3-OXOPROPYL)-4-OXIDANYLIDENE-CYCLOPENT-2-EN-1-YL]-6-OXIDANYLIDENE-OCTANOIC ACID	ME770609	0.72	1.64	NA	NA
METHYL (5S,6R)-5,6,7-TRIS(OXIDANYL)HEPTANOATE	ME770793	0.72	1.64	NA	NA
1-HEXADECANOYL-2-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769538	0.73	1.65	NA	NA
(3R,5R,8S,9S,10S,13S,14S,17S)-3-HYDROXY-17-(2-HYDROXYACETYL)-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-11-ONE	ME770348	0.73	1.64	NA	NA
8-(5-KETO-3-METHYL-2H-FURAN-4-YL)-7-METHOXY-COUMARIN	ME769063	0.73	1.64	NA	NA
6-ETHOXY-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLINE	ME769227	0.82	1.45	NA	NA
2-(2-KETOPYRROLIDINO)ACETIC ACID	ME770642	0.79	1.42	NA	NA
(2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-DIAMINO-2-{[(2R,3R,4R,5S,6R)-3-AMINO-6-(AMINOMETHYL)-4,5-DIHYDROXYOXAN-2-YL]OXY}-6-HYDROXYCYCLOHEXYL]OXY}-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]OXY}OXANE-3,4-DIOL	ME769887	0.82	1.40	NA	NA
4-METHOXY-3,5-DIMETHYL-BENZOIC ACID	ME770890	0.73	1.44	NA	NA
4-ACETAMIDO-N-(4-NITROPHENYL)BUTYRAMIDE	ME769052	0.80	1.49	NA	NA
2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY]PROPOXY]PROPAN-1-OL	ME769031	0.76	1.48	NA	NA
2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPAN-1-OL	ME770479	0.76	1.48	NA	NA
2-[2-[2-[2-[2-[2-(2-HYDROXYPROPOXY)PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPAN-1-OL	ME769870	0.76	1.48	NA	NA
AZELAIC ACID	ME768862	0.95	1.38	NA	NA
LPC O-24:2	ME770888	0.97	1.41	NA	NA
1H-BENZIMIDAZOL-2-YLMETHYL(PHENYL)AMINE	ME770018	0.97	1.41	NA	NA
2-(3-PYRIDYL)PYRROLIDINE-1-CARBALDEHYDE	ME770582	0.97	1.41	NA	NA
[4-METHYL-5-(1-METHYLIMIDAZOL-2-YL)THIAZOL-2-YL]AMINE	ME769715	0.96	1.41	NA	NA
CYTISINE	ME769021	0.96	1.41	NA	NA
(24E)-STIGMASTA-5,24(28)-DIEN-3BETA-OL	ME769855	0.96	1.40	NA	NA
5-[(5-CARBETHOXY-3-ETHYL-4-METHYL-1H-PYRROL-2-YL)METHYL]-4-ETHYL-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER	ME769114	0.97	1.40	NA	NA
4-(3-BROMO-4-HYDROXY-5-METHOXY-PHENYL)-5-KETO-2-METHYL-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLIC ACID 2-METHOXYETHYL ESTER	ME769535	0.95	1.43	NA	NA
ACETYL-N-FORMYL-5-METHOXYKYNURENAMINE	ME769572	0.95	1.43	NA	NA
LATHOSTEROL	ME769513	0.96	1.42	NA	NA
2-AMINO-4-TERT-BUTYL-PHENOL	ME770037	0.96	1.42	NA	NA
(2R)-3-MERCAPTO-2-[[(2S)-PROLYL]AMINO]PROPIONIC ACID	ME769460	0.96	1.42	NA	NA
1-(2-HYDROXYETHYL)-3-(2-METHOXYPHENYL)UREA	ME769712	0.95	1.41	NA	NA
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ACID	ME769466	0.95	1.41	NA	NA
TANGERETIN	ME770163	0.95	1.42	NA	NA
L-TYROSYL-L-VALINE	ME769877	0.95	1.42	NA	NA
2-AMINO-3-METHYLBUTANOIC ACID	ME768905	0.95	1.42	NA	NA
8S-HETRE	ME770090	0.95	1.42	NA	NA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-3-{[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE	ME770594	0.93	1.43	NA	NA
1-AMINO-2-PHENYL-CYCLOPROPANECARBOXYLIC ACID	ME769747	0.93	1.43	NA	NA
(2R)-1-(2-HYDROXYETHYL)-2,5,5,8A-TETRAMETHYL-DECALIN-2-OL	ME769002	0.93	1.43	NA	NA
2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-(1,3,5-TRIHYDROXY-1,5-DIMETHYL-HEXYL)-2,3,4,5,9,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-6-ONE	ME769591	0.94	1.43	NA	NA
METHYL 7-[(1R,2R,3R)-3-HYDROXY-2-[(1E)-4-HYDROXY-4-METHYLOCT-1-EN-1-YL]-5-OXOCYCLOPENTYL]HEPTANOATE	ME769840	0.94	1.43	NA	NA
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770820	0.93	1.44	NA	NA
ARACHIDONIC ACID	ME770425	0.93	1.44	NA	NA
4-METHYL-1H-BENZIMIDAZOLE-2-THIOL	ME770141	0.94	1.44	NA	NA
DIETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE	ME770334	0.94	1.44	NA	NA
PRETILACHLOR	ME770390	0.90	1.46	NA	NA
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PROPIONIC ACID	ME768924	0.91	1.47	NA	NA
7A-HYDROXY-CHOLESTENE-3-ONE	ME769490	0.91	1.46	NA	NA
1-(1,3,11-TRIHYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)ETHANONE	ME769574	0.91	1.46	NA	NA
4,6-CHOLESTADIENONE	ME770316	0.91	1.46	NA	NA
1-OCTADECANOYL-2-(9Z,12Z-HEPTADECADIENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME769951	0.92	1.46	NA	NA
2-IMIDAZO[1,2-A]PYRIDIN-2-YL-N-PHENYL-ACETAMIDE	ME770730	0.92	1.46	NA	NA
2-ETHOXY-4-[({1-[2-(3-HYDROXYPIPERIDIN-1-YL)PHENYL]-3-METHYLBUTYL}-C-HYDROXYCARBONIMIDOYL)METHYL]BENZOIC ACID	ME770735	0.92	1.43	NA	NA
2,8-DIISOBUTYL-5-METHYL-1-OXA-4,7,10-TRIAZACYCLOTETRADECANE-3,6,9,14-DIQUINONE	ME769983	0.91	1.44	NA	NA
2-AMMONIOETHYL 2,3-DI(HEXADECANOYLOXY)PROPYL PHOSPHATE	ME770094	0.92	1.44	NA	NA
PYRROLIDIN-1-IUM-2-CARBOXYLATE	ME768925	0.93	1.45	NA	NA
PSYCHOTRINE	ME769782	0.93	1.45	NA	NA
GLY-LEU	ME768877	0.93	1.45	NA	NA
PRO ALA	ME769285	0.93	1.45	NA	NA
2-MORPHOLINOBENZALDEHYDE	ME770584	0.91	1.45	NA	NA
4-PHENYLMORPHOLINE	ME769292	0.91	1.45	NA	NA
ST 24:1;O4;G/18:2	ME770755	0.92	1.45	NA	NA
N-6-TRIMETHYLLYSINE	ME770712	0.92	1.45	NA	NA
L-LEUCYL-L-ALANINE	ME769446	0.92	1.45	NA	NA
L-ALANYL-L-ISOLEUCINE	ME770467	0.92	1.45	NA	NA
5-KETO-1-MESITYL-PYRROLIDINE-3-CARBOXYLIC ACID	ME769054	0.92	1.45	NA	NA
(3S)-3-AMINO-3-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}PROPANOIC ACID	ME770423	0.92	1.45	NA	NA
4-(CYCLOPENTOXY)-3-METHOXY-BENZALDEHYDE	ME770165	0.92	1.45	NA	NA
N-(3-FLUOROPHENYL)-4-METHYL-PIPERAZINE-1-CARBOXAMIDE	ME770117	0.90	1.43	NA	NA
2-AMINO-2-CYCLOPROPYL-ACETIC ACID	ME770515	0.91	1.40	NA	NA
N-[(2R,3R,4S,5R)-3,5,6-TRIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE	ME770593	0.90	1.41	NA	NA
(2S)-6-AMINO-2-[(2S)-2-(2-AMINOACETAMIDO)-3-(1H-IMIDAZOL-4-YL)PROPANAMIDO]HEXANOIC ACID	ME769761	0.85	1.51	NA	NA
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC ACID	ME769725	0.85	1.51	NA	NA
2-(HEXADECANOYLOXY)-3-HYDROXYPROPYL (9Z)-OCTADEC-9-ENOATE	ME770549	0.85	1.51	NA	NA
(1R)-1-[(2S,4AR,4BS,6S,8R,8AS)-6-HYDROXY-2,4B,8-TRIMETHYL-8-METHYLOL-4,4A,5,6,7,8A,9,10-OCTAHYDRO-3H-PHENANTHREN-2-YL]ETHANE-1,2-DIOL	ME769808	0.85	1.52	NA	NA
4-HYDROXYQUINOLIN-2(1H)-ONE	ME770592	0.85	1.52	NA	NA
4-PYRIDOXIC ACID	ME770607	0.86	1.52	NA	NA
3,3^-DISULFANEDIYLBIS(2-AMMONIOPROPANOATE)	ME768907	0.87	1.51	NA	NA
3-(4-PHENYL-1-PIPERAZINYL)PROPANE-1,2-DIOL	ME769908	0.86	1.51	NA	NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-METHYLPROPYL]CARBAMOYL}BUTANOIC ACID	ME770084	0.86	1.51	NA	NA
LUPININE	ME769403	0.83	1.52	NA	NA
METHYLIMIDAZOLEACETIC ACID	ME770436	0.83	1.53	NA	NA
2,3-DIHYDROXYPROPYL (Z)-DOCOS-13-ENOATE	ME770476	0.83	1.53	NA	NA
2-ACETAMIDO-3-(4-HYDROXY-3-METHOXYPHENYL)PROPANOIC ACID	ME770159	0.83	1.53	NA	NA
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME769722	0.84	1.54	NA	NA
O-ANISYL-[(2S,3S)-2-PHENYL-3-PIPERIDYL]AMINE	ME769262	0.85	1.53	NA	NA
8-ACETYL-6,7-DIMETHOXY-COUMARIN	ME769805	0.85	1.53	NA	NA
1-(2-NAPHTHYL)-2-PYRROLIDINO-PENTAN-1-ONE	ME769260	0.85	1.53	NA	NA
[(2R)-3-HEXADECOXY-2-METHOXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME770806	0.85	1.53	NA	NA
TRAUMATIC ACID	ME768913	0.84	1.53	NA	NA
1,4A,7-TRIMETHYL-7-VINYL-3,4,6,8,8A,9,10,10A-OCTAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID	ME770124	0.84	1.53	NA	NA
PALMITOYL-EA	ME769462	0.84	1.53	NA	NA
2-METHYLNICOTINIC ACID	ME769436	0.88	1.44	NA	NA
3-AMINO-5,6-DIMETHYL-PYRAZINOIC ACID	ME770764	0.87	1.46	NA	NA
1-(ALPHA-METHYL-4-(2-METHYLPROPYL)BENZENEACETATE)-BETA-D-GLUCOPYRANURONIC ACID	ME768978	0.90	1.47	NA	NA
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID	ME770173	0.90	1.47	NA	NA
TRIMETHYL(2-{[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME770431	0.90	1.48	NA	NA
PC 9:0_24:1	ME770414	0.90	1.48	NA	NA
1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBOLINE	ME769238	0.90	1.48	NA	NA
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLAN-24-OIC ACID	ME769271	0.90	1.48	NA	NA
(2S)-2-HYDROXY-3-METHYL-N-[(1S)-1-{[(1S)-3-METHYL-2-OXO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-1-YL]CARBAMOYL}ETHYL]BUTANAMIDE	ME769893	0.89	1.47	NA	NA
SM 29:1;2O/3:0	ME769537	0.89	1.48	NA	NA
N-(4-PIPERIDYL)ACETAMIDE	ME770925	0.89	1.48	NA	NA
L-ALPHA-ASPARTYL-L-LEUCINE	ME770470	0.89	1.48	NA	NA
4-[2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL]-2-(HYDROXYMETHYL)PHENOL	ME768917	0.89	1.48	NA	NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-PHENYLETHYL]CARBAMOYL}BUTANOIC ACID	ME770326	0.89	1.48	NA	NA
1-METHYLBENZOTRIAZOLE	ME769461	0.85	1.49	NA	NA
(22S,25S)-5ALPHA-SPIROSOLAN-3BETA-YL BETA-D-GLUCOPYRANOSYL-(1-2)-[BETA-D-XYLOPYRANOSYL-(1-3)]-BETA-D-GLUCOPYRANOSYL-(1-4)-BETA-D-GALACTOPYRANOSIDE	ME770005	0.86	1.49	NA	NA
1,2-DI-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME769365	0.89	1.49	NA	NA
N-(4-CHLOROPHENYL)PYRROLIDINE-1-CARBOXAMIDE	ME770050	0.88	1.49	NA	NA
(2S,3S,4S,5R,6S)-6-[[(4R,4AS,7AR,12BS)-4A-HYDROXY-7-KETO-3-METHYL-2,4,5,6,7A,13-HEXAHYDRO-1H-4,12-METHANOBENZOFURO[3,2-E]ISOQUINOLIN-9-YL]OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770621	0.88	1.49	NA	NA
[5-(6-AMINOPURIN-9-YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHYL [5-(4-AZANYL-2-OXIDANYLIDENE-PYRIMIDIN-1-YL)-2-(HYDROXYMETHYL)-4-OXIDANYL-OXOLAN-3-YL] HYDROGEN PHOSPHATE	ME770449	0.88	1.49	NA	NA
(2R)-2-[[(2S)-2-AMMONIOPROPANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPIONATE	ME769017	0.87	1.49	NA	NA
N-(1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXADECANAMIDE	ME770914	0.88	1.50	NA	NA
HECOGENIN	ME769966	0.88	1.50	NA	NA
1-PIPERIDINO-3-(1,2,3,4-TETRAHYDROCARBAZOL-9-YL)PROPAN-2-OL	ME770030	0.88	1.50	NA	NA
(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE	ME769524	0.88	1.50	NA	NA
SYMMETRIC DIMETHYL-L-ARGININE	ME770605	0.87	1.50	NA	NA
SPHINGOSINE	ME770290	0.87	1.50	NA	NA
PC 14:1_21:2	ME769710	0.87	1.50	NA	NA
NAPROXEN	ME769188	0.87	1.50	NA	NA
N-ACETYL-BETA-ALANINE	ME769651	0.87	1.50	NA	NA
N^-(3,3-DIMETHYL-4H-ISOQUINOLIN-1-YL)-4-METHOXY-BENZOHYDRAZIDE	ME769938	0.87	1.50	NA	NA
6-HYDROXYMELATONIN	ME769845	0.87	1.50	NA	NA
(3S,10S,13R,14R,17R)-17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,7,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	ME770863	0.87	1.50	NA	NA
5-[(8AS)-3-KETO-2,5,5,8A-TETRAMETHYL-4A,6,7,8-TETRAHYDRO-4H-NAPHTHALEN-1-YL]-3-METHYL-VALERIC ACID	ME769067	0.87	1.50	NA	NA
RIBOFLAVIN	ME768859	0.10	2.27	NA	NA
PE O-16:1_15:0	ME769557	0.10	2.27	NA	NA
6-METHYLNICOTINIC ACID	ME770807	0.10	2.27	NA	NA
DAIDZEIN	ME768969	0.10	2.27	NA	NA
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENOYL AMINE	ME769496	0.10	2.28	NA	NA
N-(3-AMINOPROPYL)ACETAMIDE	ME770917	0.10	2.28	NA	NA
6-O-FERULOYLCATALPOL	ME770031	0.08	2.28	NA	NA
(2E,5E)-3,5,7-TRIMETHYLOCTA-2,5-DIENEDIOIC ACID	ME770880	0.09	2.27	NA	NA
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOL	ME770461	0.09	2.28	NA	NA
CAR(14:0)	ME769905	0.09	2.28	NA	NA
ACETIC ACID [4-(7-HYDROXY-4-KETO-6-METHOXY-CHROMEN-3-YL)PHENYL] ESTER	ME770070	0.07	2.31	NA	NA
3-(4-HYDROXY-3-METHOXY-PHENYL)-7-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-CHROMONE	ME770796	0.07	2.31	NA	NA
2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER	ME770906	0.07	2.31	NA	NA
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFANYL]PROPANOIC ACID	ME769656	0.07	2.31	NA	NA
MELEZITOSE	ME769981	0.07	2.30	NA	NA
ACETIC ACID [(4S,5S,5AS,9AS)-4-HYDROXY-1-KETO-6,6,9A-TRIMETHYL-4,5,5A,7,8,9-HEXAHYDRO-3H-BENZ[E]ISOBENZOFURAN-5-YL] ESTER	ME769818	0.07	2.30	NA	NA
CAR 8:1	ME770360	0.07	2.30	NA	NA
(2R,3R,4R,5S)-6-(METHYLAMINO)HEXANE-1,2,3,4,5-PENTOL	ME768914	0.09	2.29	NA	NA
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-5-CARBAMIMIDAMIDOPENTANOIC ACID	ME769849	0.09	2.29	NA	NA
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(METHYLAMINO)ETHOXY]PHOSPHINIC ACID	ME769969	0.08	2.29	NA	NA
2-[2,6-DIHYDROXY-4-METHYL-3-(1-METHYLOLVINYL)-4-VINYL-CYCLOHEXYL]ACRYLIC ACID METHYL ESTER	ME770935	0.08	2.30	NA	NA
SULFAMETHOXAZOLE	ME770652	0.08	2.30	NA	NA
CAR(16:0)	ME770331	0.05	2.33	NA	NA
6-(2,3-DIHYDROXY-3-METHYL-BUTOXY)-4-METHOXY-5-METHYL-ISOINDOLIN-1-ONE	ME769330	0.05	2.33	NA	NA
(3-{8,8-DIPROPYL-2-AZASPIRO[4.5]DECAN-2-YL}PROPYL)DIETHYLAMINE	ME770077	0.05	2.33	NA	NA
[2-(3-PYRIDYLMETHOXY)PHENYL]AMINE	ME769794	0.05	2.33	NA	NA
3-(4-PIPERIDYL)PROPIONIC ACID ETHYL ESTER	ME770311	0.05	2.33	NA	NA
TAUROCHOLIC ACID	ME768954	0.04	2.33	NA	NA
SINAPINE	ME769449	0.04	2.33	NA	NA
NORBORNAN-2-OL	ME770947	0.04	2.33	NA	NA
8-OXO-NONANOIC ACID	ME770669	0.04	2.33	NA	NA
(3S,10S,13R,14R,17R)-17-[(1R)-1,5-DIMETHYLHEX-4-ENYL]-10,13-DIMETHYL-2,3,4,5,6,7,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	ME770523	0.04	2.33	NA	NA
2-(4-CUMYLPHENOXY)ACETOHYDRAZIDE	ME770521	0.04	2.33	NA	NA
2-[2-[13-ACETAMIDO-10,12-DIHYDROXY-3-METHYL-1-(2-METHYLHEXANOYL)TETRADECOXY]-2-KETO-ETHYL]SUCCINIC ACID	ME769215	0.04	2.33	NA	NA
2,4,6-TRIMETHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDE	ME770940	0.04	2.33	NA	NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-BIS[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-4H-CHROMEN-4-ONE	ME769294	0.04	2.34	NA	NA
TRIMETHOPRIM	ME769473	0.04	2.34	NA	NA
FAPY-ADENINE	ME769763	0.05	2.31	NA	NA
GABAPENTIN	ME770149	0.05	2.32	NA	NA
4-[6-(4-HYDROXYPHENYL)-1,2,4,5-TETRAZIN-3-YL]PHENOL	ME769197	0.05	2.32	NA	NA
(2S,3R,4S,4AR,6AR,8AS,12AS,13S,14AR,14BR)-13-(CHLOROMETHYL)-2,3-DIHYDROXY-4,6A,11,11,14B-PENTAMETHYL-2,3,4A,5,6,7,8,9,10,12,12A,13,14,14A-TETRADECAHYDRO-1H-PICENE-4,8A-DICARBOXYLIC ACID	ME769211	0.05	2.32	NA	NA
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROCYCLODODECA[C]FURAN	ME770944	0.05	2.32	NA	NA
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXAHYDRO-1H-INDEN-4-YL]-2-METHYLPROP-2-ENOIC ACID	ME770558	0.05	2.32	NA	NA
2-[[(4R)-4-[(3R)-3,7-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL]AMINO]ETHANESULFONIC ACID	ME768863	0.06	2.32	NA	NA
FASCICULOL C	ME770409	0.06	2.32	NA	NA
3-AMINOBENZOTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER	ME770853	0.06	2.31	NA	NA
(3S,4R,5R)-1,3,4,5-TETRAHYDROXY-6-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONE	ME770023	0.06	2.31	NA	NA
ACETIC ACID [(2S,3S)-4-KETO-2-(4-METHOXYPHENYL)-5-[2-(METHYLAMINO)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-3-YL] ESTER	ME770399	0.00	2.37	NA	NA
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}ETHANIMIDIC ACID	ME769393	0.00	2.37	NA	NA
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2S,3S,4R,5R)-4-HYDROXY-2,5-DIMETHYLOL-2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROFURAN-3-YL] ESTER	ME770945	0.01	2.37	NA	NA
VITEXIN	ME770079	0.01	2.37	NA	NA
8-[(2R,3R,4R,5S,6R)-6-(HYDROXYMETHYL)-5-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-3,4-BIS(OXIDANYL)OXAN-2-YL]-2-(4-HYDROXYPHENYL)-5,7-BIS(OXIDANYL)CHROMEN-4-ONE	ME770716	0.03	2.35	NA	NA
2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL]AMINO]ACETIC ACID	ME768885	0.03	2.35	NA	NA
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-1-OXOPENTYL]AMINO]ACETIC ACID	ME770288	0.03	2.35	NA	NA
(1-CYCLOHEPTYL-4-PIPERIDYL)AMINE	ME770024	0.03	2.35	NA	NA
1-[(E)-CINNAMYL]PIPERAZINE	ME770875	0.03	2.35	NA	NA
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLAMIDE	ME770471	0.03	2.34	NA	NA
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-DIMETHYLHEXYL]-3,5-DIHYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-6-ONE	ME770812	0.03	2.34	NA	NA
3,7,11,15-TETRAMETHYLPALMITIC ACID [(2R)-3-[2-AMINOETHOXY(HYDROXY)PHOSPHORYL]OXY-2-(3,7,11,15-TETRAMETHYLHEXADECANOYLOXY)PROPYL] ESTER	ME770325	0.03	2.34	NA	NA
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(1H-INDOL-3-YL)ETHYL]PROP-2-ENAMIDE	ME770699	0.03	2.34	NA	NA
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-[(2R,3S,4R,5R,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXYOXAN-3-YL]OXY-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL	ME770696	0.03	2.34	NA	NA
SL 23:2;O/21:2	ME770327	0.02	2.36	NA	NA
PRO-HYDROXYPRO	ME770741	0.02	2.36	NA	NA
(1S,3R,4S,5R)-1,3,5-TRIHYDROXY-4-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEXANECARBOXYLIC ACID	ME770227	0.02	2.36	NA	NA
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-QUINONE	ME769675	0.02	2.36	NA	NA
4-AMINOPYRIMIDINE-5-CARBONITRILE	ME770635	0.02	2.35	NA	NA
2-[4-(3,6,7-TRIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)PENTANOYLAMINO]ACETIC ACID	ME770948	0.02	2.35	NA	NA
3-(1-METHYL-2-PIPERIDYL)PYRIDINE	ME770253	0.02	2.35	NA	NA
(4-ETHYLBENZYL)-METHYL-AMINE	ME770638	0.01	2.35	NA	NA
GLYCOCHOLIC ACID	ME768937	0.01	2.36	NA	NA
SALSOLINOL	ME769467	0.01	2.36	NA	NA
(1S)-1,5-ANHYDRO-2-O-(ALPHA-L-RHAMNOPYRANOSYL)-1-[5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL]-D-GLUCITOL	ME769690	0.19	2.18	NA	NA
6-HYDROXYLUTEOLIN 5,6,7,4^-TETRAMETHYL ETHER	ME769691	0.19	2.18	NA	NA
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-2-PHENETHOXY-TETRAHYDROPYRAN-3-YL]OXYTETRAHYDROPYRAN-3,4,5-TRIOL	ME769166	0.19	2.19	NA	NA
N-[(2S,3R,4R,5S,6R)-5-HYDROXY-6-METHYLOL-2-[(2S,3R,4S,5S,6R)-2,3,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-4-YL]OXY-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDE	ME769178	0.19	2.19	NA	NA
CAR 13:1	ME770131	0.18	2.20	NA	NA
(3R)-3-(3-HYDROXYHEXADECANOYLOXY)-4-(TRIMETHYLAMMONIO)BUTYRATE	ME770319	0.18	2.20	NA	NA
6-PIPERAZINO-7H-PURINE	ME769287	0.18	2.20	NA	NA
(2S,3S,4S,5R,6S)-6-[(7-CHLORO-2-KETO-1-METHYL-5-PHENYL-3H-1,4-BENZODIAZEPIN-3-YL)OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770666	0.18	2.18	NA	NA
7-[(2R)-2-[(E,3S,4S)-3-HYDROXY-4-METHYLNON-1-EN-6-YNYL]-5-OXOPYRROLIDIN-1-YL]HEPTANOIC ACID	ME769151	0.18	2.19	NA	NA
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]-6-(3,4,5-TRIHYDROXYOXAN-2-YL)-4H-CHROMEN-4-ONE	ME769865	0.18	2.19	NA	NA
2-AMINO-9-[(2S,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]-7-METHYL-PURIN-9-IUM-6-OLATE	ME769833	0.18	2.19	NA	NA
(3R)-3-(3-HYDROXY-3-METHYL-BUTANOYL)OXY-4-(TRIMETHYLAMMONIO)BUTYRATE	ME770615	0.18	2.19	NA	NA
(2-AMINO-3,6-DIMETHYL-PHENYL)AMINE	ME770061	0.22	2.15	NA	NA
4-[1-CYCLOHEXYL-2-(PIPERIDIN-2-YL)ETHYL]CYCLOHEXAN-1-OL	ME769274	0.23	2.15	NA	NA
[5-CHLORO-2-(4-CHLOROPHENOXY)PHENYL]AMINE	ME770263	0.21	2.15	NA	NA
(2S,3R,4S,5S,6R)-2-[2-METHOXY-4-[(2S,3R,4R)-3-METHYLOL-4-VANILLYL-TETRAHYDROFURAN-2-YL]PHENOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME769614	0.21	2.16	NA	NA
SM(D18:1/18:1)	ME769778	0.21	2.16	NA	NA
2,4-DIMETHYLNICOTINIC ACID	ME770336	0.18	2.16	NA	NA
2-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)ACETALDEHYDE	ME769832	0.18	2.13	NA	NA
TUBERONIC ACID GLUCOSIDE	ME769528	0.20	2.14	NA	NA
6,7,8,3^,4^-PENTAMETHOXYISOFLAVANQUINONE	ME770826	0.13	2.18	NA	NA
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE	ME770098	0.16	2.21	NA	NA
SOYASAPONIN II	ME769468	0.16	2.21	NA	NA
(3E,11Z,13E)-6-HYDROXY-16-METHYL-1-OXACYCLOHEXADECA-3,11,13-TRIEN-2-ONE	ME770619	0.17	2.21	NA	NA
(E)-2-[2-[(1R,2R,8AR)-1-HYDROXY-2,5,5,8A-TETRAMETHYL-DECALIN-1-YL]ETHYL]BUT-2-ENE-1,4-DIOL	ME770724	0.17	2.21	NA	NA
L-PROLYL-L-PROLINE	ME770801	0.14	2.23	NA	NA
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID	ME769706	0.14	2.23	NA	NA
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL	ME769007	0.14	2.23	NA	NA
2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-5-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-CHROMONE	ME770216	0.14	2.23	NA	NA
7-METHYLINDANE-4-CARBOXYLIC ACID ETHYL ESTER	ME770954	0.14	2.22	NA	NA
(2S,3S,4R)-2-(HEXADECANOYLAMINO)-3,4-DIHYDROXYOCTADECYL 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME768993	0.14	2.22	NA	NA
5-[({[5-HYDROXY-4-(HYDROXYMETHYL)-6-METHYLPYRIDIN-3-YL]METHYL}DISULFANYL)METHYL]-4-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL	ME770086	0.14	2.22	NA	NA
BETA-GENTIOBIOSE	ME769245	0.16	2.22	NA	NA
(6-METHOXY-1,3-BENZOTHIAZOL-2-YL)AMINE	ME769632	0.15	2.23	NA	NA
PE O-15:1_15:0	ME769456	0.15	2.22	NA	NA
1-(9Z,12Z-HEPTADECADIENOYL)-2-(11Z,14Z-EICOSADIENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME769022	0.15	2.22	NA	NA
N-ACETYLSEROTONIN	ME769760	0.15	2.22	NA	NA
[2,3-DIHYDROXY-3-(4H-IMIDAZOL-4-YL)PROPYL] DIHYDROGEN PHOSPHATE	ME770085	0.12	2.23	NA	NA
1-(1-NAPHTHYL)-3-(2-PYRIDYL)UREA	ME770439	0.10	2.22	NA	NA
6-CHLOROTETRALIN-1-ONE	ME770272	0.11	2.22	NA	NA
4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE	ME770229	0.11	2.26	NA	NA
TAURINE	ME768960	0.12	2.25	NA	NA
[4-(3,5-DIMETHYLPYRAZOL-1-YL)PHENYL]AMINE	ME769094	0.12	2.26	NA	NA
FRUCTOSE	ME769092	0.12	2.26	NA	NA
L-LYSYL-L-ARGININE	ME769806	0.14	2.24	NA	NA
EPICATECHIN	ME769886	0.13	2.24	NA	NA
OXAZEPAM	ME768988	0.13	2.25	NA	NA
2-(2-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXAN-1-ONE	ME770929	0.18	2.08	NA	NA
PHENPROMETHAMINE	ME770495	0.20	2.07	NA	NA
(2R,3R,4S,5S,6R)-2-[3-HYDROXY-2-(4-HYDROXY-3-METHOXY-PHENYL)PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770004	0.21	2.04	NA	NA
N,N^-BIS(P-TOLYL)MALONAMIDE	ME769169	0.18	2.02	NA	NA
1-(TERT-BUTYLAMINO)-3-[(2-METHYL-1H-INDOL-4-YL)OXY]PROPAN-2-YL BENZOATE	ME770177	0.27	2.10	NA	NA
L-LEUCYL-L-ISOLEUCINE	ME769062	0.27	2.11	NA	NA
(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPIONIC ACID TERT-BUTYL ESTER	ME769235	0.27	2.11	NA	NA
4-HYDROXY-3-METHOXY-BENZOIC ACID [(Z)-2-CYANO-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-BUT-2-ENYL] ESTER	ME770184	0.27	2.11	NA	NA
(1S,3R,5S,8R,9S,10S,13S,14S)-1,10,13-TRIMETHYL-3-OXIDANYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE	ME770828	0.24	2.13	NA	NA
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-1H-BENZIMIDAZOLE	ME770341	0.24	2.14	NA	NA
(2S,4S,5R,6R)-5-ACETAMIDO-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-ACETAMIDO-1-[(1R)-1,2-DIHYDROXYETHYL]-2-HYDROXY-4-KETO-BUTOXY]-3,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-4-YL]OXY-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770013	0.24	2.11	NA	NA
2-(DIMETHYLAMINO)-7H-HYPOXANTHINE	ME770329	0.26	2.12	NA	NA
N-[3-(DIMETHYLAMINO)PROPYL]PROPIONAMIDE	ME769666	0.25	2.13	NA	NA
[2-(BUTANOYLOXY)ETHYL]TRIMETHYLAZANIUM	ME770931	0.25	2.12	NA	NA
4-PHENOXYBUTYLAMINE	ME770340	0.25	2.12	NA	NA
GAMMA-GLUTAMYLLEUCINE	ME770713	0.27	2.08	NA	NA
METHYL (2E)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-ENOATE	ME769610	0.28	2.07	NA	NA
CAR(10:0)	ME769699	0.30	2.08	NA	NA
5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)-7-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-[[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-CHROMAN-4-ONE	ME770782	0.30	2.08	NA	NA
(2E)-3-(4-HYDROXYPHENYL)-N-(4-{[(2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]AMINO}BUTYL)-N-(3-{[(2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]AMINO}PROPYL)PROP-2-ENAMIDE	ME770753	0.30	2.08	NA	NA
1-(2-CHLOROBENZYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID	ME769910	0.30	2.08	NA	NA
2-({2-HYDROXY-1,4A-DIMETHYL-5-[(3E)-3-METHYL-5-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PENT-3-EN-1-YL]-6-METHYLIDENE-DECAHYDRONAPHTHALEN-1-YL}METHOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL	ME769954	0.30	2.08	NA	NA
SM 28:2;2O/10:0	ME770148	0.30	2.07	NA	NA
SCHAFTOSIDE	ME769728	0.30	2.07	NA	NA
5-(2-CARBAMOYLPYRROLIDINO)-5-KETO-4-(PYROGLUTAMOYLAMINO)VALERIC ACID	ME769463	0.30	2.07	NA	NA
N-ACETYLORNITHINE	ME769556	0.30	2.07	NA	NA
N-(4-ACETYLPHENYL)-2-CYANO-ACETAMIDE	ME770267	0.29	2.09	NA	NA
CYPRODINIL	ME770590	0.29	2.09	NA	NA
2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-3,6,7-TRIMETHOXY-4H-CHROMEN-4-ONE	ME770019	0.29	2.09	NA	NA
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME769479	0.29	2.09	NA	NA
(8-BUTYL-12,12-DIMETHYL-11-THIA-4,5,7-TRIAZATRICYCLO[7.4.0.02,6]TRIDECA-1(9),2,5,7-TETRAEN-3-YL)AMINE	ME769738	0.29	2.08	NA	NA
HESPERETIN	ME770485	0.29	2.08	NA	NA
3-HYDROXY-1-METHYL-2,3,5,6-TETRAHYDRO-1H-INDOLE-5,6-DIONE	ME770036	0.28	2.08	NA	NA
(3S,5R)-PIPERIDINE-3,4,5-TRIOL	ME770792	0.28	2.09	NA	NA
CAR(4:0(3ME))	ME769478	0.28	2.09	NA	NA
2-HYDROXY-2-METHYL-BUTYRIC ACID	ME770702	0.30	2.05	NA	NA
AJMALINE	ME769177	0.32	2.05	NA	NA
(4R)-4-[(3R,5S,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-7-KETO-10,13-DIMETHYL-1,2,3,4,5,6,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID	ME770014	0.32	2.05	NA	NA
4-TERT-BUTYL-N-ISOPROPYL-BENZAMIDE	ME770581	0.32	2.05	NA	NA
(4S)-4-AMINO-2,2-DIMETHYL-GLUTARIC ACID	ME769404	0.32	2.06	NA	NA
(5-METHYL-2-PYRROL-1-YL-PHENYL)AMINE	ME769785	0.31	2.06	NA	NA
2-(3,4-DIMETHOXYPHENYL)-5,6,7-TRIMETHOXY-4H-CHROMEN-4-ONE	ME769653	0.31	2.06	NA	NA
4-HYDROXYBENZOIC ACID 2-MORPHOLINOETHYL ESTER	ME769006	0.31	2.06	NA	NA
3,5,5-TRIMETHYL-4-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]CYCLOHEX-2-EN-1-ONE	ME769306	0.31	2.04	NA	NA
10-NITROOLEIC ACID	ME770274	0.31	2.03	NA	NA
(2S,4S,5R,6R)-5-ACETAMIDO-2-{[(2R,3R,4S,5R,6S)-6-{[(2R,3S,4R,5R)-5-ACETAMIDO-4,6-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-3,4,5-TRIHYDROXYOXAN-2-YL]METHOXY}-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID	ME770039	0.32	2.03	NA	NA
VERBENALIN	ME769430	0.33	2.04	NA	NA
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3,5-DIMETHYL-4-PYRIDONE	ME769684	0.33	2.04	NA	NA
DIOSMIN	ME768888	0.33	2.04	NA	NA
1-(11Z-EICOSENOYL)-2-(9Z,12Z-HEPTADECADIENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME769229	0.33	2.03	NA	NA
1-(DIMETHYLAMINO)-3-(1-NAPHTHOXY)PROPAN-2-OL	ME770725	0.33	2.02	NA	NA
(2S)-2-AMINO-5-(1-AMINOBUT-3-ENYLIDENEAMINO)VALERIC ACID	ME770688	0.43	1.87	NA	NA
7-AMINOCLONAZEPAM	ME769406	0.48	1.90	NA	NA
N-ACETYLHISTIDINE	ME770660	0.48	1.89	NA	NA
PROPANE-1,3-DIOL	ME770403	0.46	1.89	NA	NA
(2-{[(2R)-2-HYDROXY-3-[(8Z,11Z,14Z,17Z)-ICOSA-8,11,14,17-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770579	0.46	1.91	NA	NA
CALUSTERONE	ME769503	0.46	1.91	NA	NA
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID	ME769552	0.47	1.91	NA	NA
5-ALPHA-DIHYDROTESTOSTERONE GLUCURONIDE	ME769183	0.47	1.91	NA	NA
N-CYCLOOCTYL-2-PHENOXY-PROPIONAMIDE	ME770591	0.47	1.90	NA	NA
N-BENZYL-1H-INDOLE-2-CARBOXAMIDE	ME770498	0.47	1.90	NA	NA
L-HISTIDYL-L-TYROSINE	ME769447	0.47	1.90	NA	NA
(3BETA,6ALPHA,12BETA)-3,12,20-TRIHYDROXYDAMMAR-24-EN-6-YL 2-O-(ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE	ME768999	0.47	1.90	NA	NA
CER(D18:1/2:0)	ME770510	0.47	1.90	NA	NA
N-[4-KETO-4-(PHENETHYLAMINO)BUTYL]CARBAMIC ACID ETHYL ESTER	ME770602	0.46	1.90	NA	NA
PHENYLETHYLAMINE	ME769085	0.46	1.90	NA	NA
3-AMINO-2-METHYL-N-THIAZOL-2-YL-BENZAMIDE	ME769096	0.50	1.86	NA	NA
2-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-4H-CHROMEN-4-ONE	ME770752	0.51	1.86	NA	NA
N-(3-ETHOXYPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRAMIDE	ME769743	0.51	1.86	NA	NA
1-CYCLOHEXYL-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA	ME769207	0.51	1.84	NA	NA
(3R)-3-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]OXY-4-(TRIMETHYLAMMONIO)BUTYRATE	ME769995	0.52	1.86	NA	NA
(2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-{[(2R,3S,4R,5R,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}OXANE-3,4,5-TRIOL	ME769379	0.51	1.85	NA	NA
SL 26:3;O/24:3	ME769374	0.52	1.85	NA	NA
PC O-20:3	ME770508	0.52	1.85	NA	NA
[1-(2H-1,3-BENZODIOXOL-5-YL)PROPAN-2-YL](ETHYL)AMINE	ME770766	0.52	1.85	NA	NA
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE	ME769420	0.52	1.85	NA	NA
2,4,6-TRIALLYLOXY-S-TRIAZINE	ME769090	0.49	1.86	NA	NA
PYRIDINE-2,4-DICARBOXYLIC ACID DIETHYL ESTER	ME769757	0.50	1.88	NA	NA
1,2,3,4-TETRAHYDROQUINOLINE-6-CARBOXYLIC ACID	ME769035	0.50	1.88	NA	NA
HUPERZINE A	ME770463	0.50	1.88	NA	NA
PIPENZOLATE	ME770270	0.50	1.87	NA	NA
TRIPHENYLPHOSPHANE OXIDE	ME769295	0.50	1.87	NA	NA
GUANIDOACETIC ACID	ME768865	0.49	1.89	NA	NA
PHEOPHORBIDE A	ME770726	0.49	1.88	NA	NA
N(5)-ETHYL-L-GLUTAMINE	ME768874	0.49	1.88	NA	NA
LINOLEOYL-EA	ME769619	0.49	1.88	NA	NA
6-METHYLTHIOGUANINE	ME770368	0.49	1.88	NA	NA
1-METHYLHISTAMINE	ME769291	0.49	1.88	NA	NA
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE	ME770743	0.49	1.88	NA	NA
3-SUCCINOYLPYRIDINE	ME770643	0.48	1.88	NA	NA
N-(4-BROMO-2,5-DIMETHYL-PHENYL)ACETAMIDE	ME770128	0.48	1.88	NA	NA
1-(1-ADAMANTYL)-3-(1-PROPYL-4-PIPERIDYL)UREA	ME769874	0.33	1.89	NA	NA
1-(2-ETHYL-2-METHYL-TETRAHYDROPYRAN-4-YL)HEXAN-1-ONE	ME769788	0.36	1.92	NA	NA
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE	ME769124	0.41	1.96	NA	NA
SM 24:0;2O/8:0	ME769394	0.40	1.96	NA	NA
ALLYL(1-PHENYLETHYL)AMINE	ME769346	0.39	1.96	NA	NA
2-(METHYLAMINO)BENZOIC ACID	ME770285	0.38	1.97	NA	NA
4-METHYLPIPECOLINIC ACID	ME770840	0.39	1.97	NA	NA
3,9-DIMETHOXYPTEROCARPAN	ME770857	0.39	1.97	NA	NA
4-[(1E)-3-HYDROXYPROP-1-EN-1-YL]-2,6-DIMETHOXYPHENOL	ME769696	0.39	1.97	NA	NA
N(2)-METHYL-L-LYSINE	ME769844	0.41	1.97	NA	NA
7,8-DIAMINONONANOIC ACID	ME770661	0.40	1.97	NA	NA
(5E)-4,7,8-TRIHYDROXY-2-(2-HYDROXYPENTYL)-9,9-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-OXECIN-10-ONE	ME770080	0.40	1.97	NA	NA
[4-(AMINOMETHYL)PHENYL]METHANOL	ME770881	0.40	1.97	NA	NA
3-(3-NITROPHENYL)-5-PHENETHYL-1,2,4-OXADIAZOLE	ME770933	0.40	1.97	NA	NA
(2S)-2-AMINO-2-ETHYL-GLUTARIC ACID	ME769943	0.40	1.97	NA	NA
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA	ME770922	0.40	1.97	NA	NA
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE	ME770811	0.40	1.97	NA	NA
TYRAMINE	ME768879	0.39	1.98	NA	NA
2-(4-HYDROXYPHENYL)-6-[(E)-2-(4-HYDROXYPHENYL)VINYL]-2,3-DIHYDROPYRAN-4-ONE	ME770333	0.40	1.98	NA	NA
3-(PYRROLIDIN-2-YL)PYRIDINE	ME769769	0.40	1.98	NA	NA
5-AMINOPENTANOIC ACID	ME768899	0.43	1.94	NA	NA
(2S)-2-(P-TOLYL)CHROMAN-4-ONE	ME770596	0.43	1.94	NA	NA
(25R)-CHOLEST-5-ENE-3BETA,7ALPHA,26-TRIOL	ME770803	0.43	1.94	NA	NA
1-CYCLOPROPYL-6-FLUORO-BENZOTRIAZOLE	ME770490	0.43	1.94	NA	NA
(1S,2R)-5-METHOXY-1-METHYL-N-PROPYL-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE	ME770375	0.43	1.94	NA	NA
3-AMINO-3-(4-PYRIDYL)PROPIONIC ACID	ME769407	0.42	1.94	NA	NA
1-METHYLINDOLE-3-CARBOXAMIDE	ME770155	0.42	1.94	NA	NA
2-AMINO-3-CYCLOBUTYL-PROPIONIC ACID	ME770818	0.42	1.94	NA	NA
L-LEUCYL-L-METHIONINE	ME769811	0.42	1.96	NA	NA
OMEPRAZOLE SULFONE	ME770633	0.42	1.95	NA	NA
CAR(7:0)	ME770195	0.42	1.95	NA	NA
2-AMINOHEPTANEDIOIC ACID	ME769561	0.42	1.95	NA	NA
2-CHLORO-N-(1-CYANOCYCLOHEPTYL)ACETAMIDE	ME770540	0.42	1.95	NA	NA
SPINACETIN 3-GENTIOBIOSIDE	ME770480	0.45	1.92	NA	NA
8-(2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-1-METHYL-2-QUINOLINONE	ME769500	0.45	1.92	NA	NA
1-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769663	0.45	1.92	NA	NA
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-DIHYDROXY-2-METHYLOL-6-[(4S,6R,7S,8R,9S,13R,16S)-5^,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL]OXY-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770949	0.45	1.92	NA	NA
4-HYDROXY-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]-4,5,5-TRIMETHYL-OXAZOLIDIN-2-ONE	ME769184	0.45	1.93	NA	NA
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)ACRYLAMIDE	ME770175	0.45	1.93	NA	NA
NORDAZEPAM	ME769012	0.44	1.94	NA	NA
(1-METHYLPYRROLIDIN-3-YL)-(3-PYRIDYL)METHANONE	ME770491	0.44	1.94	NA	NA
3-ETHYLPIPERAZIN-2-ONE	ME769065	0.44	1.94	NA	NA
{2-[HYDROXY(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHOXY]ETHYL}TRIMETHYLAZANIUM	ME769066	0.44	1.93	NA	NA
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM	ME770646	0.44	1.93	NA	NA
5-METHYLNICOTINIC ACID METHYL ESTER	ME769618	0.43	1.92	NA	NA
5-GLUTAMYL-ALANINE	ME770273	0.43	1.93	NA	NA
5-METHYL-2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID	ME770717	0.43	1.93	NA	NA
4-HYDROXY-2,6-DIMETHYL-BENZALDEHYDE	ME770910	0.42	1.91	NA	NA
8-ACETAMIDO-7-KETO-2-METHYL-PELARGONIC ACID	ME770130	0.39	1.91	NA	NA
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]PROP-2-ENAMIDE	ME769807	0.36	2.02	NA	NA
2-AMINO-2-DEOXY-D-MANNOSE	ME768884	0.36	2.02	NA	NA
1-[2-(1H-IMIDAZOL-5-YL)ETHYL]-3-PHENETHYL-THIOUREA	ME770784	0.36	2.02	NA	NA
1-(3,4-DICHLOROPHENYL)-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA	ME770599	0.36	2.02	NA	NA
2-AMINO-3-CYCLOPENTYL-PROPIONIC ACID	ME770662	0.34	2.02	NA	NA
(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-METHOXYPHENYL)ETHYL]PROP-2-ENAMIDE	ME769555	0.34	2.03	NA	NA
CAR(6:0)	ME770231	0.35	2.03	NA	NA
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL	ME770003	0.35	2.03	NA	NA
[(2R,3R,4R,5R,6R)-3-AMMONIO-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL] HYDROGEN PHOSPHATE	ME770392	0.35	2.03	NA	NA
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME769671	0.35	2.03	NA	NA
CER 18:1;2O/18:2	ME770502	0.35	2.02	NA	NA
4-(4-METHYLPIPERAZINO)BUTYRIC ACID	ME769042	0.35	2.02	NA	NA
(9Z,12Z)-N-[2-(4-HYDROXYPHENYL)ETHYL]OCTADECA-9,12-DIENAMIDE	ME769558	0.35	2.02	NA	NA
N-(4-PROPOXYPHENYL)ACETAMIDE	ME770244	0.35	2.00	NA	NA
N-(5-AMINO-2-METHYL-PHENYL)-4-METHYL-BENZAMIDE	ME769182	0.35	2.00	NA	NA
(3R,4R,5S,6R)-3-AMINO-6-(HYDROXYMETHYL)OXANE-2,4,5-TRIOL	ME768915	0.36	2.00	NA	NA
[4-(2-CYCLOHEXYLETHOXY)PHENYL]AMINE	ME769633	0.36	1.99	NA	NA
6-AMYL-4-HYDROXY-TETRAHYDROPYRAN-2-ONE	ME770269	0.37	1.98	NA	NA
PHE PHE	ME769351	0.37	2.01	NA	NA
5-UREIDOVALERIC ACID	ME770649	0.37	2.00	NA	NA
2-[1-[(3-OXO-2-AZASPIRO[4.5]DECAN-2-YL)METHYL]CYCLOHEXYL]ACETIC ACID	ME770260	0.37	2.00	NA	NA
4-METHYL-4-OXIDO-PIPERAZIN-4-IUM-1-CARBOXYLIC ACID [(7S)-6-(5-CHLORO-2-PYRIDYL)-5-KETO-7H-PYRROLO[3,4-B]PYRAZIN-7-YL] ESTER	ME770626	0.37	2.00	NA	NA
7-HYDROXY-2,3,4,5-TETRAHYDROBENZOFURO[2,3-C]AZEPIN-1-ONE	ME768972	0.39	1.99	NA	NA
2-AMINO-2-METHYL-GLUTARIC ACID	ME770775	0.38	2.00	NA	NA
(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE	ME770653	0.38	2.00	NA	NA
(1R,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID ETHYL ESTER	ME769000	0.37	1.99	NA	NA
NICOTINE	ME770096	0.38	1.99	NA	NA
N-(2-FLUOROPHENYL)-3-MORPHOLINO-PROPIONAMIDE	ME770896	0.38	1.99	NA	NA
2-CYCLOPROPYLACETIC ACID	ME770676	0.38	1.99	NA	NA
2-[(2-NITROPHENYL)CARBAMOYL]BENZOIC ACID	ME770426	0.38	1.99	NA	NA
2-AZASPIRO[4.5]DECAN-3-ONE	ME769516	0.38	1.99	NA	NA
2-AMINO-3-(2-HYDROXYPHENYL)PROPANOIC ACID	ME770275	0.31	1.99	NA	NA
2-METHOXY-4-[(1E)-PROP-1-EN-1-YL]PHENYL ACETATE	ME770630	0.30	1.99	NA	NA
4-METHOXY-2,6-DIMETHYL-PHENOL	ME770829	0.32	1.95	NA	NA
N-(2-KETOTETRAHYDROFURAN-3-YL)CAPRYLAMIDE	ME770648	0.33	1.95	NA	NA
2-AMINO-2-CYCLOPENTYL-ACETIC ACID	ME770892	2.30	0.08	NA	NA
PC O-38:4	ME769575	2.29	0.08	NA	NA
DIETHYL 2,4,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE	ME769161	2.29	0.08	NA	NA
2-METHYL-2-[[1-[3-[4-(4-PHENYLBENZOYL)-2-PROPYLPHENOXY]PROPYL]-3,4-DIHYDRO-2H-QUINOLIN-5-YL]OXY]PROPANOIC ACID	ME769567	2.29	0.08	NA	NA
4-(3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)VALERIC ACID	ME769284	2.29	0.08	NA	NA
DIMETHYL[1-(10H-PHENOTHIAZIN-10-YL)PROPAN-2-YL]AMINE	ME768931	2.28	0.10	NA	NA
(1S,2S,8AR)-1-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-2,5,5,8A-TETRAMETHYL-DECALIN-2-OL	ME769644	2.27	0.10	NA	NA
PC O-36:5	ME770000	2.27	0.10	NA	NA
12-KETODEOXYCHOLIC ACID	ME769208	2.29	0.09	NA	NA
1-ETHYL-3-METHYL-1H-IMIDAZOL-3-IUM	ME769796	2.29	0.09	NA	NA
(Z,2E,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL)PENTA-2,4-DIENIMIDIC ACID	ME770252	2.28	0.09	NA	NA
XANTHOSINE	ME770135	2.28	0.09	NA	NA
L-NORLEUCINE	ME768910	2.28	0.09	NA	NA
L-ISOLEUCYL-L-LYSINE	ME770179	2.28	0.09	NA	NA
L-ISOLEUCYL-L-HISTIDINE	ME769963	2.28	0.09	NA	NA
ACETIC ACID [5-(3,4-DIHYDROXYPHENYL)-1-[2-(3,4-DIHYDROXYPHENYL)ETHYL]PENTYL] ESTER	ME770183	2.28	0.09	NA	NA
1-METHYLISONIPECOTIC ACID	ME769400	2.28	0.09	NA	NA
3B-HYDROXY-5-CHOLENOIC ACID	ME769416	2.28	0.09	NA	NA
5-ACETYL-2,6-DIMETHYL-2,3-DIHYDRO-1H-PYRIDIN-4-ONE	ME770472	2.32	0.06	NA	NA
PE O-18:1_22:6	ME769501	2.31	0.06	NA	NA
PE O-18:1_20:4	ME770213	2.31	0.06	NA	NA
9-[(2R,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]HYPOXANTHINE	ME770205	2.31	0.06	NA	NA
(3R,4S,5S,6S)-6-CARBOXY-N-[2-(DIPHENYLMETHOXY)ETHYL]-3,4,5-TRIHYDROXY-N,N-DIMETHYLOXAN-2-AMINIUM	ME770733	2.31	0.06	NA	NA
(4-CHLORO-5,6-DIMETHYL-PYRIMIDIN-2-YL)AMINE	ME770795	2.31	0.06	NA	NA
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(1H-INDOL-3-YL)PROPANOIC ACID	ME769134	2.31	0.07	NA	NA
{4-[2-HYDROXY-3-(PROPAN-2-YLAMINO)PROPOXY]PHENYL}ACETIC ACID	ME769909	2.31	0.07	NA	NA
PE O-16:1_18:1	ME770009	2.30	0.07	NA	NA
METHYL (Z)-OCTADEC-12-ENOATE	ME769661	2.30	0.07	NA	NA
3-{3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-2-YL}PROPANOIC ACID	ME769273	2.30	0.07	NA	NA
L-TRYPTOPHYL-L-LEUCINE	ME769692	2.30	0.07	NA	NA
[1-[2-(4-METHOXYPHENYL)ETHYL]-4-PIPERIDYL]AMINE	ME770601	2.30	0.05	NA	NA
[3-(1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]AMINE	ME769647	2.31	0.04	NA	NA
SARSASAPOGENIN	ME769357	2.37	0.00	NA	NA
ACETIC ACID (5^,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSANE-6,2^-TETRAHYDROPYRAN]-16-YL) ESTER	ME769683	2.37	0.00	NA	NA
BILIRUBIN	ME768866	2.37	0.00	NA	NA
PE O-16:1_20:3	ME770081	2.37	0.01	NA	NA
(E)-1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)HEPT-4-EN-3-ONE	ME769505	2.37	0.01	NA	NA
PELLITORINE	ME769701	2.37	0.01	NA	NA
4-AMINOBUTYRIC ACID ETHYL ESTER	ME769700	2.35	0.02	NA	NA
LUMICHROME	ME768967	2.36	0.02	NA	NA
CHAPS	ME770164	2.36	0.02	NA	NA
[4-AMINO-6-(CHLOROMETHYL)-S-TRIAZIN-2-YL]-(2,4-DIMETHYLPHENYL)AMINE	ME769149	2.36	0.02	NA	NA
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769290	2.36	0.02	NA	NA
3-[(2Z)-2-[[3-(2-CARBOXYETHYL)-5-[[(2S)-3-ETHYL-4-METHYL-5-OXO-1,2-DIHYDROPYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL-2-YL]METHYLENE]-5-[[(2S)-4-ETHYL-3-METHYL-5-OXO-1,2-DIHYDROPYRROL-2-YL]METHYL]-4-METHYL-PYRROL-3-YL]PROPANOIC ACID	ME769587	2.36	0.02	NA	NA
PE O-16:1_20:4	ME770359	2.35	0.01	NA	NA
2-[4-(DIFLUOROMETHOXY)ANILINO]BENZOIC ACID	ME770190	2.36	0.01	NA	NA
(2S,3S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METHYLPENTANOIC ACID	ME770314	2.36	0.01	NA	NA
N-BUTYL OLEATE	ME770255	2.35	0.03	NA	NA
N-ACETYLTRYPTOPHAN	ME768880	2.35	0.03	NA	NA
(13Z)-OCTADEC-13-ENOIC ACID	ME769074	2.35	0.03	NA	NA
L-LEUCYL-L-TRYPTOPHAN	ME769120	2.35	0.03	NA	NA
INOSINE	ME768947	2.33	0.03	NA	NA
PEIMININE	ME770628	2.34	0.03	NA	NA
DIMETHYLBENZIMIDAZOLE	ME768908	2.34	0.03	NA	NA
3-(5-{[(3Z)-2-HYDROXY-3H-INDOL-3-YLIDENE]METHYL}-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPANOIC ACID	ME769792	2.34	0.03	NA	NA
(1S,3R,4R,5R)-3,4-BIS({[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY})-1,5-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID	ME770144	2.34	0.03	NA	NA
2-AMINO-5-METHYL-HEXANOIC ACID	ME769301	2.34	0.03	NA	NA
OXYMORPHONE	ME770170	2.33	0.04	NA	NA
NOROXYCODONE	ME770021	2.33	0.04	NA	NA
METHYL OLEATE	ME769987	2.33	0.04	NA	NA
DEMISSIDINE	ME769515	2.33	0.04	NA	NA
1-OXAZOLO[4,5-B]PYRIDIN-2-YLOCTADEC-9-YN-1-ONE	ME769224	2.33	0.04	NA	NA
DAMASCENINE	ME770465	2.33	0.04	NA	NA
(3R,5S,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-DIHYDROXYHEPT-6-ENOIC ACID	ME770206	2.34	0.04	NA	NA
(E)-OCTADEC-11-ENOIC ACID METHYL ESTER	ME769913	2.34	0.04	NA	NA
L-TRYPTOPHYL-L-LYSINE	ME769275	2.32	0.05	NA	NA
N-[(E)-[(2E,4E,7E)-UNDECA-2,4,7-TRIENYLIDENE]AMINO]NITROUS AMIDE	ME769797	2.33	0.05	NA	NA
N-(4-PIPERIDYL)METHANESULFONAMIDE	ME769774	2.33	0.05	NA	NA
2-(2-AMINO-4-NITRO-ANILINO)ETHANOL	ME769869	2.33	0.05	NA	NA
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID ISOPROPYL ESTER	ME770304	2.33	0.05	NA	NA
2-CHLORO-N-P-PHENETYL-PROPIONAMIDE	ME769106	2.22	0.15	NA	NA
1-ISOBUTYL-5-METHYL-PYRIMIDINE-2,4-QUINONE	ME769703	2.22	0.15	NA	NA
2,3,7,8,12,13,17,18-OCTAETHYLPORPHYRIN	ME769399	2.22	0.15	NA	NA
PIPERINE	ME769767	2.23	0.15	NA	NA
ADENOSINE	ME768922	2.23	0.15	NA	NA
PC O-36:3	ME769340	2.23	0.15	NA	NA
L-LEUCYL-L-HISTIDINE	ME770346	2.23	0.14	NA	NA
GUINEENSINE	ME769634	2.23	0.14	NA	NA
(2E,4E,6E)-11-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-UNDECA-2,4,6-TRIENAMIDE	ME769498	2.23	0.14	NA	NA
5BETA-DIHYDROTESTOSTERONE	ME769816	2.23	0.14	NA	NA
L-ISOLEUCYL-L-ARGININE	ME770610	2.24	0.14	NA	NA
ISOHYODEOXYCHOLIC ACID	ME768876	2.24	0.14	NA	NA
(2S,6S,10S,15S,20S,23R)-6,10,23-TRIMETHYL-4-AZAHEXACYCLO[12.11.0.02,11.04,9.015,24.018,23]PENTACOSANE-10,17,20-TRIOL	ME769499	2.24	0.14	NA	NA
(3R,5R,8R,9S,10S,13S,14S,17S)-10,13,17-TRIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,17-DIOL	ME769945	2.24	0.14	NA	NA
(1R,2S,4S,5^S,6S,7S,8R,9S,12S,13S,16S,18S)-5^,7,9,13-TETRAMETHYLSPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSANE-6,2^-PIPERIDINE]-16-OL	ME770353	2.27	0.11	NA	NA
PE O-16:1_18:2	ME770022	2.26	0.11	NA	NA
C17 SPHINGANINE	ME769594	2.26	0.11	NA	NA
(3S,5R,8S,9S,10S,13S,14S,17R)-17-GLYCOLOYL-3,17-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-11-ONE	ME770119	2.26	0.11	NA	NA
[3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYL]OXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME769267	2.26	0.11	NA	NA
(1S,2S,4R,8S,9S,12S,13R)-8-ACETYL-6,9,13-TRIMETHYL-5-OXA-7-AZAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSA-6,14,17-TRIENE-11,16-QUINONE	ME769571	2.26	0.11	NA	NA
2-HYDROXYESTRADIOL	ME769237	2.26	0.11	NA	NA
N-(2,6-DIISOPROPYLPHENYL)METHANESULFONAMIDE	ME769049	2.25	0.12	NA	NA
(6E)-7-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)HEPT-6-EN-1-ONE	ME769718	2.25	0.12	NA	NA
4-{[4-(ACETYLOXY)PHENYL](PYRIDIN-2-YL)METHYL}PHENYL ACETATE	ME769601	2.25	0.12	NA	NA
(2S,3R)-2-AMINO-4-HYDROXY-3-METHYL-VALERIC ACID	ME770746	2.25	0.12	NA	NA
3-[(Z)-2-(1-METHYLPYRIDIN-1-IUM-4-YL)VINYL]-1H-INDOLE	ME770006	2.25	0.12	NA	NA
DETHIOBIOTIN	ME769048	2.24	0.13	NA	NA
N,N-DIISOBUTYLTHIOCARBAMIC ACID S-ETHYL ESTER	ME770511	2.25	0.13	NA	NA
4-AMINO-N-METHYL-N-PHENYL-BENZENESULFONAMIDE	ME769163	2.25	0.13	NA	NA
2,5-DIMETHYL-3-PYRAZOLIN-3-ONE	ME769570	2.25	0.13	NA	NA
2-AMINO-3,1-BENZOTHIAZIN-4-ONE	ME769370	2.25	0.13	NA	NA
(2E,10E)-11-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-UNDECA-2,10-DIEN-1-ONE	ME769167	2.19	0.19	NA	NA
2-[(2E,5E)-3,7-DIMETHYLOCTA-2,5-DIENYL]-6-HYDROXY-5-METHYL-3-PROPYL-1H-PYRIDIN-4-ONE	ME769453	2.18	0.19	NA	NA
4-(2-KETOOXAZOLIDIN-3-YL)BENZAMIDE	ME769519	2.18	0.19	NA	NA
(2-AMINOETHOXY)[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME769349	2.19	0.17	NA	NA
LITHOCHOLIC ACID	ME768941	2.19	0.18	NA	NA
ACETIC ACID (10-ACETOXY-9-HYDROXY-5,13,16-TRIKETO-2,7,7,11,15,17-HEXAMETHYL-18-METHYLENE-6,14-DIOXATETRACYCLO[9.8.0.02,8.012,17]NONADECAN-3-YL) ESTER	ME770858	2.19	0.18	NA	NA
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770349	2.19	0.18	NA	NA
(4AS,6AS,6BR,10S,12AR,14BS)-10-[(2R,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-2,2,6A,6B,9,9,12A-HEPTAMETHYL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	ME770545	2.19	0.18	NA	NA
(2R,3R,4S)-2-ADENIN-9-YL-5-METHYLENE-2-METHYLOL-TETRAHYDROFURAN-3,4-DIOL	ME770846	2.18	0.18	NA	NA
THYMIDINE	ME768896	2.18	0.18	NA	NA
DILTIAZEM	ME768894	2.22	0.16	NA	NA
6-OXO-OCTADECANOIC ACID	ME769988	2.22	0.16	NA	NA
DEOXYCHOLIC ACID	ME768904	2.22	0.16	NA	NA
N-[2-[3-ACETAMIDO-1-(1,2-DIHYDROXYETHYL)-2-HYDROXY-4-KETO-BUTOXY]-5-[3,5-DIHYDROXY-4-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-6-[(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYLOL-TETRAHYDROPYRAN-3-YL]ACETAMIDE	ME769242	2.21	0.15	NA	NA
VAL VAL LYS	ME770487	2.21	0.16	NA	NA
N-(2,4-DIMETHYL-3-NITRO-PHENYL)ACETAMIDE	ME770138	2.21	0.16	NA	NA
DG 16:3_18:3	ME770371	2.21	0.16	NA	NA
3-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-PROPAN-1-ONE	ME770298	2.21	0.16	NA	NA
(2E,4E,10E)-11-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)UNDECA-2,4,10-TRIEN-1-ONE	ME769064	2.21	0.16	NA	NA
(2S,3S,4AS)-2,3,7-TRIHYDROXY-9-METHOXY-4A-METHYL-3,4-DIHYDRO-2H-BENZO[C]CHROMEN-6-ONE	ME769729	2.21	0.16	NA	NA
PC O-34:2	ME770241	2.20	0.18	NA	NA
PHE VAL LYS	ME770789	2.20	0.18	NA	NA
(2E,4E,10Z)-N-ISOBUTYLHEXADECA-2,4,10-TRIENAMIDE	ME769955	2.21	0.17	NA	NA
5-HYDROXY-2,2,6,6-TETRAMETHYL-4-[3-METHYL-1-(2,4,6-TRIHYDROXY-3-ISOBUTYRYL-PHENYL)BUTYL]CYCLOHEX-4-ENE-1,3-QUINONE	ME770434	2.21	0.17	NA	NA
(Z)-OCTADEC-9-ENOIC ACID [(2S)-2-ACETOXY-3-HYDROXY-PROPYL] ESTER	ME769916	2.20	0.17	NA	NA
PC O-36:4	ME769018	2.20	0.17	NA	NA
(2R,3R,5S)-2-(6-AMINO-9H-PURIN-9-YL)-5-(HYDROXYMETHYL)OXOLAN-3-OL	ME770737	2.20	0.17	NA	NA
DEOXYADENOSINE	ME768923	2.20	0.17	NA	NA
7-METHOXY-2-METHYL-4-QUINOLONE	ME770866	2.14	0.24	NA	NA
(2S,4AR,6R,7R,7AS)-6-(6-AMINO-9H-PURIN-9-YL)-7-HYDROXY-2-SULFANYLTETRAHYDRO-2H,4H-2LAMBDA(5)-FURO[3,2-D][1,3,2]DIOXAPHOSPHININ-2-ONE	ME770815	2.14	0.23	NA	NA
4,5,6-TRIMETHYL-2-SULFANYL-PYRIDINE-3-CARBONITRILE	ME769896	2.15	0.23	NA	NA
PC O-34:3	ME769717	2.15	0.23	NA	NA
PC O-33:1	ME769089	2.16	0.19	NA	NA
XANTHINE	ME769672	2.17	0.20	NA	NA
SOLASODINE	ME769629	2.17	0.20	NA	NA
CYTOSINE	ME768926	2.17	0.20	NA	NA
CYTIDINE	ME770152	2.17	0.20	NA	NA
(2E,4E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)NONA-2,4,8-TRIEN-1-ONE	ME769581	2.17	0.20	NA	NA
1-{[2-(4-ETHOXYPHENYL)-2-METHYLPROPOXY]METHYL}-3-PHENOXYBENZENE	ME770405	2.17	0.20	NA	NA
1-(2-ETHYLBUTYL)-N-{2-[(2-METHYLPROPANOYL)SULFANYL]PHENYL}CYCLOHEXANE-1-CARBOXAMIDE	ME770424	2.17	0.20	NA	NA
SOLANIDINE	ME769562	2.18	0.20	NA	NA
1-(4-NITROPHENYL)AZEPANE	ME770291	2.18	0.20	NA	NA
FAMOTIDINE	ME768961	2.18	0.20	NA	NA
1-(2-ISOPROPOXYPHENYL)PIPERAZINE	ME769957	2.15	0.21	NA	NA
N1-(4-METHYL-2-NITROPHENYL)PROPANE-1,3-DIAMINE	ME769299	2.14	0.21	NA	NA
JUNIPERIC ACID	ME770147	2.17	0.21	NA	NA
(1S,5R,13R,17S)-17-HYDROXY-10-METHOXY-4-METHYL-12-OXA-4-AZAPENTACYCLO[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]OCTADECA-7(18),8,10-TRIEN-14-ONE	ME769126	2.17	0.21	NA	NA
ACETIC ACID [(4R,4AR,7S,7AR,12BS)-3-ACETYL-9-METHOXY-2,4,4A,7,7A,13-HEXAHYDRO-1H-4,12-METHANOBENZOFURO[3,2-E]ISOQUINOLIN-7-YL] ESTER	ME770385	2.17	0.21	NA	NA
PALMITELAIDIC ACID	ME770076	2.16	0.21	NA	NA
(2E,4E,9Z,12Z)-1-PIPERIDINOOCTADECA-2,4,9,12-TETRAEN-1-ONE	ME770440	2.16	0.21	NA	NA
2,3-BIS(2H-1,3-BENZODIOXOL-5-YLMETHYL)BUTANE-1,4-DIOL	ME769536	2.16	0.21	NA	NA
2,3-DIHYDROXYPROPYL (9E)-OCTADEC-9-ENOATE	ME770064	2.16	0.21	NA	NA
(2R)-3-HYDROXYPROPANE-1,2-DIYL (9Z,12Z,15Z,9^Z,12^Z,15^Z)BIS-OCTADECA-9,12,15-TRIENOATE	ME769991	2.15	0.22	NA	NA
METHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME770283	2.16	0.22	NA	NA
AGMATINE	ME768936	2.16	0.22	NA	NA
1-METHYLNIPECOTIC ACID	ME770497	2.16	0.22	NA	NA
(5Z,8Z,11Z,14Z)-N-(2-KETO-4-METHYL-CHROMEN-7-YL)EICOSA-5,8,11,14-TETRAENAMIDE	ME769494	2.16	0.22	NA	NA
17-[1-HYDROXY-1-(5-METHYL-2-PIPERIDYL)ETHYL]-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	ME769510	1.97	0.41	NA	NA
N-(4-ACETAMIDOPHENYL)-2-ETHOXY-ACETAMIDE	ME770297	1.97	0.40	NA	NA
GLY PHE LYS	ME770924	1.97	0.40	NA	NA
(1R,4AR,7S)-1,4A,7-TRIMETHYL-7-VINYL-3,4,4B,5,6,8,10,10A-OCTAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID	ME769768	1.97	0.40	NA	NA
(3S)-5-[(1S,8AR)-4-KETO-2,5,5,8A-TETRAMETHYL-4A,6,7,8-TETRAHYDRO-1H-NAPHTHALEN-1-YL]-3-METHYL-VALERIC ACID	ME769534	1.97	0.40	NA	NA
2,3,4,5-TETRAHYDRO-1H-PYRID[4,3-B]INDOLE	ME770038	1.99	0.39	NA	NA
N-(3-PIPERIDYL)PROPIONAMIDE	ME770913	1.98	0.39	NA	NA
COPROCHOLIC ACID	ME769192	1.98	0.39	NA	NA
5-(5-CARBOMETHOXY-5,8A-DIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-VALERIC ACID	ME770278	1.98	0.39	NA	NA
(1R,4S,5R,9S,10R,13S)-13-HYDROXY-5,9-DIMETHYL-14-METHYLENE-TETRACYCLO[11.2.1.01,10.04,9]HEXADECANE-5-CARBOXYLIC ACID	ME769940	1.98	0.39	NA	NA
4-ACETAMIDOPHENYL 2-(DIETHYLAMINO)ACETATE	ME769972	1.98	0.39	NA	NA
2-[[4-(3-METHOXYPROPOXY)-3-METHYL-2-PYRIDYL]METHYLSULFONYL]-1H-BENZIMIDAZOLE	ME769617	1.97	0.38	NA	NA
4-(METHYLAMMONIO)-4-(3-PYRIDYL)BUTYRATE	ME770873	1.97	0.39	NA	NA
N,N-DIMETHYLHISTIDINE	ME770623	1.97	0.39	NA	NA
METHYL 9H-PURINE-6-CARBOXYLATE	ME769417	1.98	0.37	NA	NA
6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE	ME770250	2.00	0.37	NA	NA
L-ARGINYL-L-VALINE	ME770542	2.00	0.37	NA	NA
N-ACETYLARGININE	ME768942	1.99	0.38	NA	NA
(1S,2S,9R,10R)-3,15-DIAZATETRACYCLO[7.7.1.02,7.010,15]HEPTADEC-7-ENE	ME770091	1.99	0.38	NA	NA
GUANOSINE	ME768919	1.99	0.38	NA	NA
L-VALYL-L-ARGININE	ME769465	2.00	0.38	NA	NA
(2S,3S,4S,5R,6S)-6-[2-[1-[[[(1R)-1-[3-[(E)-2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL]-3-[2-(1-HYDROXY-1-METHYL-ETHYL)PHENYL]PROPYL]THIO]METHYL]CYCLOPROPYL]ACETYL]OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770823	2.00	0.38	NA	NA
3-[(1E,3E)-3,5-DIMETHYLHEPTA-1,3-DIENYL]-5,6-DIHYDROXY-7-KETO-6-METHYL-2-PYRINDAN-5-CARBOXYLIC ACID METHYL ESTER	ME769825	2.00	0.38	NA	NA
4-(1H-INDOL-3-YL)-1-MORPHOLINO-BUTAN-1-ONE	ME770372	1.99	0.34	NA	NA
DIMETHYLARGININE	ME770366	1.98	0.33	NA	NA
4-[(4-BUTYL-3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YL)METHOXY]-4-OXOBUTANOIC ACID	ME769846	2.02	0.33	NA	NA
N-(4-BROMOPHENYL)ISONIPECOTAMIDE	ME770429	2.03	0.34	NA	NA
GLN GLN	ME769665	2.03	0.34	NA	NA
MGDG 16:1_18:1	ME770583	2.03	0.34	NA	NA
7-METHOXY-1-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE	ME770475	2.04	0.33	NA	NA
(2S,3S)-5-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-2-(4-METHOXYPHENYL)-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-4-ONE	ME769822	2.04	0.34	NA	NA
3-METHYLCYCLOPENTADECAN-1-ONE	ME769013	2.04	0.34	NA	NA
1-AMMONIOCYCLOBUTANECARBOXYLATE	ME769323	2.00	0.34	NA	NA
5-BUTYL-2-(ETHYLAMINO)-6-METHYLPYRIMIDIN-4(1H)-ONE	ME769069	2.01	0.34	NA	NA
NICOTINAMIDE RIBOSIDE	ME770650	2.01	0.35	NA	NA
VERATRIDINE	ME769320	2.01	0.36	NA	NA
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-METHYLPENT-3-ENYL)DODECA-2,6,10-TRIENOIC ACID	ME769391	2.02	0.36	NA	NA
(4R,4AS,7AR,12BS)-3-METHYL-1,2,4,5,6,7,7A,13-OCTAHYDRO-4,12-METHANOBENZOFURO[3,2-E]ISOQUINOLINE-4A,7,9-TRIOL	ME768971	2.02	0.36	NA	NA
(1R,1^R,5R,5^R,9R)-6^,6^,10,10-TETRAMETHYLSPIRO[6-OXATRICYCLO[7.1.1.02,7]UNDEC-2(7)-ENE-5,2^-NORPINANE]-3^-ONE	ME770422	2.03	0.35	NA	NA
(Z)-2-METHYL-2-BUTENOIC ACID [(1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-HEXAHYDROXY-6,10,19-TRIMETHYL-24-OXA-4-AZAHEPTACYCLO[12.12.0.02,11.04,9.015,25.018,23.019,25]HEXACOSAN-22-YL] ESTER	ME769225	2.03	0.35	NA	NA
(Z)-9,12,13-TRIHYDROXYOCTADEC-15-ENOIC ACID	ME769247	2.02	0.35	NA	NA
N-(1,3-DIHYDROXYPROPAN-2-YL)HEXADECANAMIDE	ME770714	2.02	0.35	NA	NA
HYPOXANTHINE	ME768882	2.02	0.35	NA	NA
9-[3,4-DIHYDROXY-5-(METHOXYMETHYL)TETRAHYDROFURAN-2-YL]-3H-PURIN-6-ONE	ME770456	2.02	0.35	NA	NA
3-METHYLDIOXYINDOLE	ME770300	2.02	0.35	NA	NA
1-TRIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769483	2.02	0.35	NA	NA
2-AMINO-N-ETHYL-4-METHYL-VALERAMIDE	ME769828	2.02	0.35	NA	NA
(2S)-1-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPAN-2-YL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	ME769889	2.11	0.27	NA	NA
TETRADECANEDIOIC ACID	ME768893	2.10	0.27	NA	NA
(2S,3R)-2-AMINO-3-HYDROXY-BUTYRAMIDE	ME769926	2.10	0.27	NA	NA
6-PIPERAZINOBENZO[B][1,4]BENZOTHIAZEPINE	ME769541	2.10	0.27	NA	NA
1-(4-BROMO-3,5-DIMETHYL-PYRAZOL-1-YL)ACETONE	ME769239	2.11	0.25	NA	NA
NAGLYSER 15:0/17:0	ME769686	2.11	0.26	NA	NA
2-[[2-[[2-(BENZYLOXYCARBONYLAMINO)ACETYL]AMINO]ACETYL]AMINO]HEXANOIC ACID	ME769337	2.11	0.26	NA	NA
CIS-VACCENIC ACID	ME770181	2.11	0.26	NA	NA
3,6-DIMETHYL-1-PROPYL-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID	ME769016	2.11	0.23	NA	NA
4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-2-METHOXYPHENOL	ME769566	2.12	0.24	NA	NA
1-(1-HYDROXY-1-METHYL-ETHYL)-3A-METHYL-6,10-DIMETHYLENE-2,3,4,5,7,8,9,11,12,12A-DECAHYDRO-1H-CYCLOPENTACYCLOUNDECENE-5,9-DIOL	ME769362	2.12	0.25	NA	NA
N-(2,6-DIMETHYLPHENYL)-2-HYDROXY-ACETAMIDE	ME770697	2.12	0.25	NA	NA
2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPAN-1-OL	ME770458	2.07	0.29	NA	NA
L-PHENYLALANYL-L-VALINE	ME769474	2.07	0.29	NA	NA
4-AMINO-2-ISOPROPYL-5-METHYL-PHENOL	ME770012	2.06	0.30	NA	NA
3-(2-METHYLPYRAZOL-3-YL)PROPIONIC ACID	ME770512	2.07	0.30	NA	NA
2-(DIMETHYLAMMONIO)-3-METHYL-BUTYRATE	ME768858	2.07	0.30	NA	NA
(2S)-2-AMINO-4-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}BUTANOIC ACID	ME770041	2.07	0.30	NA	NA
L-TRYPTOPHYL-L-PHENYLALANINE	ME769487	2.10	0.28	NA	NA
PHENIBUT	ME770541	2.09	0.28	NA	NA
3,5-DIAMINO-4-METHYL-BENZOIC ACID	ME770670	2.09	0.28	NA	NA
1-[(7-ISOAMYL-2,6-DIKETO-1,3-DIMETHYL-PURIN-8-YL)METHYL]ISONIPECOTAMIDE	ME769489	2.09	0.28	NA	NA
(2E,4E,14Z)-N-(2-METHYLPROPYL)ICOSA-2,4,14-TRIENAMIDE	ME769366	2.09	0.28	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769288	2.08	0.30	NA	NA
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] ESTER	ME769741	2.09	0.29	NA	NA
4-METHOXY-2-[(E)-STYRYL]-2,3-DIHYDROPYRAN-6-ONE	ME770894	2.09	0.29	NA	NA
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE	ME769186	2.09	0.29	NA	NA
2-FLUORO-4-PYRIDONE	ME769123	2.09	0.29	NA	NA
TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME769257	2.08	0.29	NA	NA
6-C-GLUCOSYLNARINGENIN	ME769960	2.08	0.29	NA	NA
5-PROPYL-1H-PYRAZOLE-3-CARBOXYLIC ACID	ME770785	2.08	0.29	NA	NA
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE	ME769678	2.08	0.29	NA	NA
2-ACETAMIDO-3-MERCAPTO-3-METHYL-BUTYRIC ACID	ME770707	2.08	0.29	NA	NA
3-PHENYL-3-(2-PYRIDYL)PROPIONIC ACID	ME770337	2.08	0.29	NA	NA
5-METHYL-1-PROPYL-PYRAZOLE-4-CARBALDEHYDE	ME769044	2.06	0.27	NA	NA
TRIPELENNAMINE	ME770145	2.08	0.25	NA	NA
4-METHYLPIPERIDINE-1-CARBOXAMIDINE	ME770721	2.02	0.30	NA	NA
SPIRO[INDOLINE-3,3^-PYRROLIDINE]-2-ONE	ME769311	2.05	0.32	NA	NA
L-PHENYLALANYL-L-TYROSINE	ME769315	2.05	0.32	NA	NA
5-ANDROSTENETRIOL	ME769383	2.05	0.32	NA	NA
7-[2-OXIDANYLIDENE-5-(3-OXIDANYLOCTYL)PYRROLIDIN-1-YL]HEPTANOIC ACID	ME769154	2.05	0.32	NA	NA
PC O-38:6	ME769693	2.04	0.32	NA	NA
THR VAL LEU	ME769095	2.04	0.32	NA	NA
N-(5-ACETAMIDOPENTYL)ACETAMIDE	ME769310	2.06	0.32	NA	NA
N-[(2S,3R)-1,3-DIHYDROXYOCTADECAN-2-YL]ACETAMIDE	ME769200	2.06	0.31	NA	NA
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID	ME770254	2.06	0.31	NA	NA
1-ACETYLISONIPECOTIC ACID	ME770874	2.06	0.31	NA	NA
(2S)-1-[(2S)-2-AMINO-3-PHENYLPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	ME770248	2.06	0.31	NA	NA
(2~{E},4~{E},6~{R})-7-[4-(DIMETHYLAMINO)PHENYL]-7-KETO-4,6-DIMETHYL-HEPTA-2,4-DIENEHYDROXAMIC ACID	ME770051	1.97	0.22	NA	NA
[(2R)-2-ACETYLSULFANYL-3-HEXADECOXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME770928	1.85	0.26	NA	NA
HEXADECYL 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME770762	1.85	0.26	NA	NA
METHYL-(4-PIPERIDYL)-(TETRAHYDROFURFURYL)AMINE	ME769248	1.91	0.42	NA	NA
N-METHYL-L-GLUTAMIC ACID	ME770323	1.92	0.40	NA	NA
L-TRYPTOPHYL-L-ASPARAGINE	ME769372	1.95	0.41	NA	NA
(3AS,8AR)-1,3A,8-TRIMETHYL-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-OL	ME769422	1.94	0.41	NA	NA
(5E)-3-ALLYL-5-(1-METHYL-2-PYRIDYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE	ME769854	1.94	0.41	NA	NA
PIPECOLIC ACID	ME768895	1.95	0.42	NA	NA
N,N-DIMETHYLSPHINGOSINE	ME770410	1.95	0.42	NA	NA
5-HYDROXYPIPERIDINE-1,3-DICARBOXYLIC ACID O1-TERT-BUTYL ESTER O3-METHYL ESTER	ME769231	1.95	0.42	NA	NA
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID	ME770620	1.95	0.42	NA	NA
(2-PYRAZOL-1-YLBENZYL)AMINE	ME770087	1.95	0.42	NA	NA
6-METHOXY-7H-PURIN-2-AMINE	ME769140	1.95	0.43	NA	NA
2-METHYLOL-6-[[3,4,5-TRIHYDROXY-6-(19-HYDROXY-4^,7,9,13-TETRAMETHYL-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSANE-6,2^-TETRAHYDROPYRAN]-16-YL)OXY-TETRAHYDROPYRAN-2-YL]METHOXY]TETRAHYDROPYRAN-3,4,5-TRIOL	ME770572	1.95	0.43	NA	NA
(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-DIHYDROXY-17-[(1R)-4-HYDROXY-1-METHYL-BUTYL]-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-3-ONE	ME770261	1.95	0.43	NA	NA
L-VALYL-L-HISTIDINE	ME769109	1.96	0.42	NA	NA
ECTOINE	ME770884	1.96	0.42	NA	NA
4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL	ME769411	1.96	0.42	NA	NA
6-(1,2-DIHYDROXY-2-METHYL-PROPYL)-9,10-DIHYDROXY-1,2,8,14,18,18-HEXAMETHYL-5-OXAPENTACYCLO[11.8.0.02,10.04,9.014,19]HENEICOSAN-17-ONE	ME770222	1.96	0.42	NA	NA
ACETIC ACID [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-HYDROXY-10,13-DIMETHYL-2,16-BIS(1-PIPERIDINYL)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL] ESTER	ME770220	1.96	0.41	NA	NA
METHYL L-LEUCINATE	ME769977	1.96	0.41	NA	NA
N-(2-HYDROXYEICOSANOYL)-4R-HYDROXYSPHINGANINE	ME770058	1.92	0.45	NA	NA
L-VALYL-L-ISOLEUCINE	ME769900	1.92	0.45	NA	NA
L-LEUCYL-L-VALINE	ME769705	1.92	0.45	NA	NA
2-[4-(METHYLAMINO)PHENYL]ACETIC ACID	ME769795	1.92	0.45	NA	NA
2-ISOBUTYLMALONIC ACID DIMETHYL ESTER	ME770571	1.92	0.45	NA	NA
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME770694	1.92	0.46	NA	NA
L-ALANYL-L-HISTIDINE	ME770355	1.92	0.46	NA	NA
(2S)-1-[(2S)-2-AMINO-4-CARBAMOYLBUTANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	ME770722	1.93	0.45	NA	NA
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOXY]-3-HYDROXYPROPYL (2S)-2-AMINO-3-METHYLBUTANOATE	ME770271	1.93	0.45	NA	NA
2-PYRROL-1-YLBENZOHYDRAZIDE	ME770946	1.93	0.45	NA	NA
PC O-34:1	ME769867	1.93	0.44	NA	NA
N(2)-ACETYL-N-METHYLGLYCINAMIDE	ME770561	1.93	0.44	NA	NA
L-VALYL-L-METHIONINE	ME770412	1.93	0.44	NA	NA
ETHYL ARGINATE	ME769010	1.93	0.44	NA	NA
2,3-DIHYDROXY-3,4A,8,8-TETRAMETHYL-4-[(1E)-3-OXOBUT-1-EN-1-YL]-DECAHYDRONAPHTHALEN-1-YL ACETATE	ME769108	1.93	0.44	NA	NA
3-IMIDAZOL-1-YLPROPIONIC ACID	ME770224	1.93	0.44	NA	NA
L-TYROSYL-L-PHENYLALANINE	ME769165	1.94	0.44	NA	NA
3-KETOCHOLESTEROL	ME769342	1.94	0.44	NA	NA
CHOLESTENONE	ME768920	1.94	0.44	NA	NA
VAL PRO LEU	ME769793	1.94	0.43	NA	NA
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE	ME770161	1.94	0.43	NA	NA
5-HYDROXY-2-METHYL-1H-INDOLE-3-CARBOXYLIC ACID ISOPROPYL ESTER	ME769008	1.94	0.43	NA	NA
9-HYDROXYFLUORENE-9-CARBOXYLIC ACID ETHYL ESTER	ME770441	1.94	0.43	NA	NA
N,2-DIMETHYL-N-PHENYL-BUTYRAMIDE	ME769664	1.83	0.44	NA	NA
2,3-BIS(2-FURYL)QUINOXALINE	ME769359	1.85	0.52	NA	NA
12-HYDROXYSENECIONAN-11,16-DIONE 4-OXIDE	ME769895	1.85	0.52	NA	NA
1-(3,4-DIHYDROXY-5-METHOXY-PHENYL)-7-(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONE	ME770223	1.85	0.52	NA	NA
L-TYROSYL-L-GLUTAMINE	ME770133	1.85	0.53	NA	NA
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE	ME769024	1.85	0.53	NA	NA
(4BS,6S)-6-METHOXY-1,4,6,7,9,10,12,13-OCTAHYDRO-3H,5H-PYRANO[4^,3^:3,4]PYRIDO[2,1-I]INDOL-3-ONE	ME769014	1.85	0.53	NA	NA
2-BROMOETHYL(TRIPHENYL)PHOSPHONIUM	ME769437	1.84	0.54	NA	NA
PREGABALIN	ME769059	1.84	0.53	NA	NA
4-(2,5-DIMETHYLPHENYL)-4-KETO-BUTYRIC ACID	ME770347	1.84	0.53	NA	NA
LUPENONE	ME769369	1.84	0.53	NA	NA
PYRIDINE-3,4-DICARBOXYLIC ACID	ME769758	1.86	0.52	NA	NA
L-PHENYLALANYL-L-LYSINE	ME770557	1.86	0.51	NA	NA
GLYCYLGLYCYL-L-LEUCINE	ME770902	1.86	0.51	NA	NA
(6AS)-1,2,11-TRIMETHOXY-6-METHYL-5,6,6A,7-TETRAHYDRO-4H-DIBENZO[DE,G]QUINOLIN-10-OL	ME769604	1.86	0.51	NA	NA
(6AS,11BR)-7,11B-DIHYDROINDENO[2,1-C]CHROMENE-3,6A,9,10(6H)-TETROL	ME770180	1.86	0.51	NA	NA
3-HYDROXY-L-PROLINE	ME770506	1.86	0.51	NA	NA
1-[(2,5,8A-TRIMETHYL-5-METHYLOL-1,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL)METHYL]-4-METHYLENE-7-OXABICYCLO[4.1.0]HEPTANE-2,3,5-TRIOL	ME769384	1.86	0.51	NA	NA
(2S,3R)-2-AMMONIO-3-TERT-BUTOXY-BUTYRATE	ME770723	1.86	0.51	NA	NA
2-AMINO-N-CYCLOHEXYL-ETHANESULFONAMIDE	ME769947	1.86	0.49	NA	NA
(2S)-2-(N-(2-METHOXYACETYL)-2,6-DIMETHYL-ANILINO)PROPIONIC ACID	ME770462	1.85	0.50	NA	NA
L-THREONYL-L-LEUCINE	ME769117	1.89	0.49	NA	NA
1-(9Z,12Z,15Z-OCTADECATRIENOYL)-2-HEXADECANOYL-3-O-ALPHA-D-GLUCURONOSYL-SN-GLYCEROL	ME769373	1.89	0.49	NA	NA
2-AMINOETHYL-[2-[2-[2-(2-AMINOETHYLAMINO)ETHYLAMINO]ETHYLAMINO]ETHYL]AMINE	ME769676	1.89	0.49	NA	NA
PYRIDOXAL 5^-PHOSPHATE	ME770720	1.89	0.48	NA	NA
ISOQUINOLINE-3-CARBOXYLIC ACID	ME769628	1.89	0.48	NA	NA
(1S,8R,10R,15S,22S,29R)-9,30-DIOXA-11,25-DIAZAPENTACYCLO[20.6.2.28,11.010,15.025,29]DOTRIACONTANE	ME769904	1.89	0.48	NA	NA
2-CYCLOHEXYL-N-PHENETHYL-ACETAMIDE	ME769075	1.89	0.48	NA	NA
PC 9:0_26:1	ME769508	1.88	0.49	NA	NA
N-(2-KETOTETRAHYDROFURAN-3-YL)LAURAMIDE	ME770257	1.88	0.49	NA	NA
IRBESARTAN	ME768965	1.88	0.49	NA	NA
GLABRIDIN	ME769637	1.88	0.49	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME770040	1.88	0.49	NA	NA
2-[(4-CHLOROBENZOYL)AMINO]-3-(1H-INDOL-3-YL)PROPIONIC ACID	ME770777	1.88	0.49	NA	NA
1-HENEICOSANOYL-2-(9Z-TETRADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME769540	1.88	0.49	NA	NA
2-[(1-HYDROXYETHYLIDENE)AMINO]OCTANOIC ACID	ME770647	1.88	0.49	NA	NA
DL-THREONINE	ME768861	1.87	0.49	NA	NA
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID	ME769754	1.87	0.49	NA	NA
(3S,5R)-3-OXIDANYL-5-PYRIDIN-3-YL-PYRROLIDIN-2-ONE	ME769314	1.87	0.49	NA	NA
N-METHYL-D-ASPARTIC ACID	ME768892	1.87	0.50	NA	NA
N4-(1-METHYLPIPERIDIN-4-YL)BENZENE-1,4-DIAMINE	ME770400	1.87	0.50	NA	NA
1-METHYL NICOTINAMIDE	ME768906	1.87	0.50	NA	NA
(1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID	ME770862	1.87	0.50	NA	NA
N-METHYL-7H-PURIN-6-AMINE	ME768870	1.88	0.50	NA	NA
3-[2-(DIMETHYLAMINO)ETHYL]-1H-INDOL-4-OL	ME770102	1.88	0.50	NA	NA
(3S,4R)-3-(CARBOXYMETHYL)-4-(PROP-1-EN-2-YL)-L-PROLINE	ME770214	1.88	0.50	NA	NA
N-[[1-(2-METHOXYPHENYL)INDAZOL-5-YL]METHYL]-2-PROPYL-VALERAMIDE	ME770240	1.89	0.45	NA	NA
PC O-30:0	ME769984	1.89	0.47	NA	NA
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[[(3S,5S,8R,9S,10S,13S,14S)-17-KETO-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-3-YL]OXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770202	1.89	0.46	NA	NA
BUTAN-2-YL 2-(2-HYDROXYETHYL)PIPERIDINE-1-CARBOXYLATE	ME770778	1.89	0.46	NA	NA
PE O-16:2_16:1	ME769410	1.91	0.46	NA	NA
(E,2S,3R)-2-(OCTYLAMINO)OCTADEC-4-ENE-1,3-DIOL	ME769201	1.91	0.46	NA	NA
CARNOSINE	ME768872	1.91	0.46	NA	NA
1-EICOSANOYL-2-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME770073	1.91	0.46	NA	NA
3-(3-KETO-2-METHYL-2,5,6,7,8,8A-HEXAHYDRO-1H-NAPHTHALEN-1-YL)PROPIONIC ACID	ME770113	1.91	0.46	NA	NA
N-METHYLPYRROLIDIN-2-ONE	ME770809	1.91	0.47	NA	NA
NALORPHINE	ME770157	1.91	0.47	NA	NA
L-LEUCYL-L-THREONINE	ME769673	1.91	0.47	NA	NA
N-(4-METHOXYPHENYL)UNDEC-10-ENAMIDE	ME769395	1.91	0.47	NA	NA
NAGLY 14:1/24:4	ME769549	1.90	0.47	NA	NA
L-PHENYLALANYL-L-ARGININE	ME770749	1.90	0.47	NA	NA
(6AS)-2,10-DIMETHOXY-5,6,6A,7-TETRAHYDRO-4H-DIBENZO[DE,G]QUINOLINE-1,9-DIOL	ME769439	1.90	0.47	NA	NA
(3,6-DIMETHYLPYRIDAZIN-4-YL)AMINE	ME770420	1.90	0.47	NA	NA
[(1R,5R,9S,13S)-5,9,13-TRIMETHYL-5-TETRACYCLO[11.2.1.01,10.04,9]HEXADEC-14-ENYL]METHANOL	ME769171	1.90	0.47	NA	NA
2-ACETAMIDO-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-ALPHA-D-GLUCOPYRANOSE	ME769732	1.90	0.47	NA	NA
2^-O-METHYLADENOSINE	ME770565	1.90	0.48	NA	NA
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METHYLBUTANOIC ACID	ME770709	1.90	0.48	NA	NA
1-BENZYL-4-(3-ETHOXY-4-METHOXY-BENZYL)PIPERAZINE	ME769798	1.76	0.48	NA	NA
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE	ME770048	1.72	0.43	NA	NA
(Z)-16-(ETHYLCARBAMOYLAMINO)HEXADEC-11-ENOIC ACID	ME769861	1.74	0.63	NA	NA
METHYL (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOATE	ME769138	1.74	0.63	NA	NA
L-ISOLEUCYL-L-ASPARTIC ACID	ME770262	1.74	0.63	NA	NA
FEXOFENADINE	ME770057	1.74	0.63	NA	NA
5-HYDROXY-2,3,3A,4,5,7A-HEXAHYDRO-1H-ISOINDOLE-1,3-DIONE	ME769361	1.74	0.63	NA	NA
9-[3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-YL]-3H-PURIN-6-ONE	ME768979	1.74	0.63	NA	NA
2,8-DIAZASPIRO[5.5]UNDECANE-1,7-QUINONE	ME770715	1.73	0.63	NA	NA
4-[(1R,2S)-2-AMINO-1-HYDROXYPROPYL]BENZENE-1,2-DIOL	ME769341	1.73	0.64	NA	NA
2-[(1-OXO-2-PHENOXYETHYL)AMINO]-3-PHENYLPROPANOIC ACID	ME769708	1.73	0.64	NA	NA
3-ADENIN-9-YLPROPAN-1-OL	ME769101	1.73	0.64	NA	NA
N-[ANILINO(MERCAPTO)METHYLENE]-4-METHYL-BENZAMIDE	ME770342	1.75	0.61	NA	NA
DG 18:1_24:6	ME769899	1.75	0.63	NA	NA
PHE GLY GLY	ME769775	1.75	0.62	NA	NA
PC 15:0_21:1	ME770259	1.75	0.62	NA	NA
METHACHOLINE	ME770732	1.75	0.62	NA	NA
ALA PRO	ME770883	1.75	0.62	NA	NA
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE	ME770573	1.75	0.62	NA	NA
5A-(ACETOXYMETHYL)-9-HYDROXY-1-ISOPROPENYL-5B,8,8,11A-TETRAMETHYL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSENE-3A-CARBOXYLIC ACID	ME770176	1.75	0.62	NA	NA
3-CARBETHOXY-4-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID	ME770187	1.75	0.62	NA	NA
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KETO-1-METHYL-PYRROLIDIN-2-YL]PYRIDIN-1-IUM-1-YL]TETRAHYDROPYRAN-2-CARBOXYLATE	ME770907	1.75	0.62	NA	NA
[(2R,3R,5R)-5-ADENIN-9-YL-4-HYDROXY-2-METHYLOL-TETRAHYDROFURAN-3-YL] DIHYDROGEN PHOSPHATE	ME770690	1.75	0.62	NA	NA
2-(1-HYDROXY-1-METHYL-ETHYL)-5-(3-HYDROXY-4,4,10,13,14-PENTAMETHYL-2,3,5,6,9,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)TETRAHYDROPYRAN-3-OL	ME770379	1.75	0.62	NA	NA
(2-{[(2R)-2-HYDROXY-3-(TETRACOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770814	1.75	0.62	NA	NA
TRIS[2-(DIMETHYLAMINO)ETHYL]AMINE	ME770215	1.77	0.61	NA	NA
(E)-3-[5-(2,3-DIHYDROXY-3-METHYL-BUTYL)-1-METHYL-IMIDAZOL-4-YL]ACRYLIC ACID METHYL ESTER	ME769423	1.76	0.61	NA	NA
3-HYDROXYPROPANE-1,2-DIYL (9Z)BIS-OCTADEC-9-ENOATE	ME768997	1.76	0.61	NA	NA
1-(4-HYDROXYPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID	ME769091	1.76	0.61	NA	NA
2-(HYDROXYMETHYL)-2-(METHOXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-ONE	ME769079	1.76	0.61	NA	NA
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID	ME770524	1.76	0.62	NA	NA
5-[(3S,5R,10S,13R,14S,17R)-3,14-DIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]PYRAN-2-ONE	ME769936	1.76	0.62	NA	NA
ALA-ALA	ME769228	1.69	0.62	NA	NA
(Z)-2-METHYLBUT-2-ENOIC ACID [(1AR,2S,2AS,5R,5AS,6S,7AS)-2-ACETOXY-5-HYDROXY-5-ISOPROPYL-2A,7A-DIMETHYL-2,3,4,5A,6,7-HEXAHYDRO-1AH-AZULENO[6,7-B]OXIREN-6-YL] ESTER	ME770286	1.69	0.61	NA	NA
4-(3-CHLORO-4-FLUORO-ANILINO)-6-(3-MORPHOLINOPROPOXY)QUINAZOLIN-7-OL	ME770614	1.73	0.65	NA	NA
1-(2,5-DIMETHOXYPHENYL)-3-PROPYL-THIOUREA	ME770527	1.72	0.66	NA	NA
PC O-15:0	ME770711	1.72	0.65	NA	NA
N-[3-(DIMETHYLAMINO)-2,2-DIMETHYL-PROPYL]ISONIPECOTAMIDE	ME768989	1.72	0.65	NA	NA
L-METHIONINE S-OXIDE	ME769937	1.72	0.65	NA	NA
ECHINOCYSTIC ACID	ME770923	1.72	0.65	NA	NA
1-(4-ACETAMIDOPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID	ME769185	1.72	0.65	NA	NA
2,6-DIAMINO-N-[2-[(2-AMINO-2-KETO-ETHYL)AMINO]-1-(1H-IMIDAZOL-5-YLMETHYL)-2-KETO-ETHYL]HEXANAMIDE	ME769234	1.72	0.65	NA	NA
2-[(3S)-3-PIPERIDYL]ACETIC ACID METHYL ESTER	ME769934	1.70	0.66	NA	NA
PETROMYZONOL	ME769105	1.71	0.66	NA	NA
IMIDAZO[1,2-A]PYRIDINE	ME770841	1.71	0.66	NA	NA
(14Z,17Z,20Z,23Z,26Z,29Z)-DOTRIACONTA-14,17,20,23,26,29-HEXAEN-1-OL	ME770324	1.71	0.66	NA	NA
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-[2-HYDROXY-4-(9-HYDROXY-8-KETO-7-METHOXY-[1,3]DIOXOLO[4,5-G]CHROMEN-6-YL)PHENOXY]TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770525	1.71	0.66	NA	NA
5-HYDROXYLYSINE	ME770932	1.70	0.67	NA	NA
(1R,3AS,5AR,5BR,7AR,9S,11AR,11BR,13AR,13BS)-1-ACETYL-9-HYDROXY-5A,5B,8,8,11A-PENTAMETHYLICOSAHYDRO-3AH-CYCLOPENTA[A]CHRYSENE-3A-CARBOXYLIC ACID	ME770053	1.70	0.67	NA	NA
(2S)-2-[[(2S,3S)-2-AMINO-3-METHYL-PENTANOYL]AMINO]GLUTARIC ACID	ME770675	1.70	0.67	NA	NA
GUANINE	ME768950	1.71	0.67	NA	NA
N-[(2R,3R,4R,5R)-5,6-DIHYDROXY-1-OXO-4-{[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-{[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL]OXY}HEXAN-2-YL]ACETAMIDE	ME770934	1.71	0.67	NA	NA
(2-TERT-BUTYLPHENYL)AMINE	ME768990	1.81	0.51	NA	NA
4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID ETHYL ESTER	ME769409	1.79	0.53	NA	NA
(2R)-2-[(1S,2R)-1,2-DIHYDROXYPENTYL]-4-METHOXY-2,3-DIHYDROPYRAN-6-ONE	ME770389	1.82	0.54	NA	NA
5-AMINO-LEVULINIC ACID	ME770435	1.82	0.54	NA	NA
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE	ME769543	1.83	0.55	NA	NA
(2-{[2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHONO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769172	1.82	0.56	NA	NA
2-(4-AMINOPIPERIDINO)ACETAMIDE	ME769568	1.82	0.56	NA	NA
2-[(3-AMMONIO-1-OXOPROPYL)AMINO]-4-METHYLPENTANOATE	ME770416	1.82	0.55	NA	NA
QUINOLINIC ACID	ME770577	1.82	0.55	NA	NA
L-THREONYL-L-VALINE	ME769181	1.81	0.56	NA	NA
GLY-TYR	ME768958	1.81	0.56	NA	NA
ESCITALOPRAM	ME768956	1.81	0.56	NA	NA
DAIMURON	ME769801	1.81	0.56	NA	NA
(2R)-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]-4-METHYL-VALERIC ACID	ME770891	1.81	0.56	NA	NA
1-OCTADECANOYL-RAC-GLYCEROL	ME770191	1.81	0.56	NA	NA
10-AMINO-DECANOIC ACID	ME770295	1.81	0.56	NA	NA
1-(2-METHYL-3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE	ME770618	1.81	0.56	NA	NA
N-[2-(1H-INDOL-3-YL)ETHYL]-4-PHENYL-BENZAMIDE	ME770588	1.81	0.57	NA	NA
L-METHIONYL-L-METHIONINE	ME770478	1.81	0.57	NA	NA
1-(4-FLUOROPHENYL)-1-[3-(METHYLAMINO)PROPYL]-1,3-DIHYDRO-2-BENZOFURAN-5-CARBONITRILE	ME769907	1.81	0.57	NA	NA
L-ISOLEUCYL-L-THREONINE	ME769251	1.81	0.57	NA	NA
SPERMIDINE	ME769040	1.81	0.55	NA	NA
(1R,2R,3S,5R)-3-BENZOYLOXY-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID	ME770530	1.80	0.54	NA	NA
4-FLUORO-N-P-PHENETYL-BENZENESULFONAMIDE	ME770217	1.80	0.55	NA	NA
3-HYDROXYPYRIDINE	ME769371	1.76	0.56	NA	NA
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMINO]-6,6-DIMETHYL-NORPINAN-2-YL]HEPT-5-ENOIC ACID	ME770824	1.78	0.56	NA	NA
6-HYDROXY-8-[(1R)-1-HYDROXY-2-{[1-(4-METHOXYPHENYL)-2-METHYLPROPAN-2-YL]AMINO}ETHYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE	ME769193	1.78	0.55	NA	NA
INDOLEPYRUVATE	ME770797	1.79	0.55	NA	NA
NOROXYMORPHONE	ME769428	1.79	0.58	NA	NA
BENZYL-DIMETHYL-MYRISTYL-AMMONIUM	ME770265	1.79	0.58	NA	NA
ABRINE	ME769217	1.79	0.58	NA	NA
6-[(1R,2R,3S,5S)-2-[(Z)-4-CARBOXYBUT-2-ENYL]-3,5-DIHYDROXY-CYCLOPENTYL]-4-KETO-HEXANOIC ACID	ME770335	1.79	0.58	NA	NA
3-METHYL-4-PHENYLBUTAN-2-ONE	ME770369	1.79	0.58	NA	NA
(1R,3AR,5AR,5BR,8R,9R,11AR,13AR)-9-ACETOXY-1-ISOPROPENYL-3A,5A,5B,8,11A-PENTAMETHYL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSENE-8-CARBOXYLIC ACID	ME769265	1.79	0.58	NA	NA
(2S)-2-[[(2S)-2-AMINO-3-(1H-INDOL-3-YL)PROPANOYL]AMINO]-4-(METHYLTHIO)BUTYRIC ACID	ME769137	1.79	0.58	NA	NA
3-HYDROXY-5-KETO-5-METHOXY-3-METHYL-VALERIC ACID	ME770167	1.79	0.57	NA	NA
PIPERIDINE-3-CARBOXAMIDE	ME770516	1.79	0.57	NA	NA
5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE	ME770507	1.80	0.58	NA	NA
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID	ME769488	1.80	0.58	NA	NA
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [2-HYDROXY-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-PROPYL] ESTER	ME769451	1.80	0.57	NA	NA
ALPHA-CHACONINE	ME770126	1.80	0.57	NA	NA
1-(2-HYDROXYETHYL)-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL	ME770108	1.77	0.58	NA	NA
(~{Z},12~{R})-12-HYDROXYOCTADEC-9-ENOIC ACID METHYL ESTER	ME770321	1.76	0.58	NA	NA
L-TYROSYL-L-PROLINE	ME770854	1.78	0.59	NA	NA
BENZYL-DIMETHYL-STEARYL-AMMONIUM	ME769327	1.78	0.59	NA	NA
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE	ME769773	1.78	0.59	NA	NA
6-OCTADECYLENIC ACID	ME768871	1.78	0.59	NA	NA
2-AMINO-9-[(2R,3R,4S,5R)-3-HYDROXY-5-(HYDROXYMETHYL)-4-METHOXYOXOLAN-2-YL]-6,9-DIHYDRO-3H-PURIN-6-ONE	ME770188	1.78	0.59	NA	NA
3-(2,6-DIMETHYLMORPHOLINO)-N-PHENYL-PROPIONAMIDE	ME769280	1.78	0.59	NA	NA
N(2)-ACETYLLYSINE	ME768952	1.78	0.60	NA	NA
1-TETRADECANOYL-2-HEPTADECANOYL-GLYCERO-3-PHOSPHOETHANOLAMINE	ME770204	1.78	0.60	NA	NA
3-(4-AMINO-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PIPERIDINE-2,6-DIONE	ME769363	1.78	0.60	NA	NA
(2S,3R)-3-HYDROXY-2-(METHYLAMINO)BUTYRIC ACID	ME769156	1.77	0.60	NA	NA
2-[5-[2-[2-[5-(2-HYDROXYBUTYL)TETRAHYDROFURAN-2-YL]PROPANOYLOXY]PROPYL]TETRAHYDROFURAN-2-YL]PROPIONIC ACID	ME769573	1.77	0.60	NA	NA
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID	ME768933	1.77	0.60	NA	NA
2,5,8,11-TETRAOXATRIDECAN-13-OL	ME770943	0.89	1.24	NA	NA
(1-METHYL-2-PIPERIDINO-ETHYL)AMINE	ME770433	0.88	1.31	NA	NA
2-AMINONICOTINIC ACID	ME770672	0.91	1.31	NA	NA
N-(2-NITROPHENYL)-2-PHENYL-ACETAMIDE	ME769252	0.91	1.31	NA	NA
6-PHENYLTHIOMORPHOLIN-3-ONE	ME770799	0.82	1.29	NA	NA
9Z,11E,13E-OCTADECATRIENOIC ACID	ME770536	0.85	1.30	NA	NA
TRIETHYL(HEXYL)AMMONIUM	ME769338	1.06	1.30	NA	NA
(3-METHYL-4-PYRIDYL)AMINE	ME770203	1.06	1.29	NA	NA
NICOTINIC ACID	ME770765	1.06	1.29	NA	NA
PROGESTERONE	ME768939	1.07	1.31	NA	NA
CER(D18:1/18:0)	ME770856	1.07	1.31	NA	NA
LINOLEIC ACID	ME769875	1.07	1.31	NA	NA
PHYTOSPHINGOSINE	ME768994	1.07	1.30	NA	NA
NAGLY 14:1/18:0	ME770232	1.07	1.30	NA	NA
ENANTHIC ACID [(8R,9S,10R,13S,14S,17S)-3,6-DIKETO-10,13-DIMETHYL-2,7,8,9,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL] ESTER	ME769721	1.07	1.30	NA	NA
DIHOMO-GAMMA-LINOLENOYL-EA	ME770162	1.07	1.30	NA	NA
ACETIC ACID [5-(7-KETO-5,5,8A-TRIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-PENTYL] ESTER	ME769697	1.07	1.30	NA	NA
6-ISOPROPYL-4-KETO-2-METHYL-CYCLOHEX-2-ENE-1-CARBOXYLIC ACID ETHYL ESTER	ME769930	1.07	1.30	NA	NA
(5S)-5-(1-HYDROXY-1-METHYL-ETHYL)-2-METHYL-CYCLOHEX-2-EN-1-ONE	ME769241	1.07	1.30	NA	NA
23-HYDROXYBETULINIC ACID	ME770608	1.07	1.30	NA	NA
2-[3-(2-QUINOLINYLMETHOXY)ANILINO]BENZOIC ACID	ME769659	1.07	1.30	NA	NA
1-BENZYL-4-PHENYL-PIPERIDIN-4-OL	ME769282	1.07	1.30	NA	NA
(20S)-20-HYDROXYPREGN-4-EN-3-ONE	ME770055	1.07	1.30	NA	NA
(Z)-7-[(1R,3R,5S)-3,5-DIHYDROXY-2-[(E,3S)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL]HEPT-5-ENOIC ACID GLYCERYL ESTER	ME769817	1.08	1.30	NA	NA
PARAXANTHINE	ME768934	1.08	1.30	NA	NA
(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTADEC-4-EN-6-ONE	ME768973	1.08	1.30	NA	NA
4-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER	ME770109	1.08	1.30	NA	NA
IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE	ME770667	1.07	1.28	NA	NA
4-(3,14-DIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE	ME770354	1.07	1.29	NA	NA
PC 8:0_23:0	ME770407	1.08	1.29	NA	NA
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-ACETAMIDO-4-HYDROXY-6-METHYLOL-5-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]-3,5-DIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-2,4-DIHYDROXY-6-[[(2R,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]TETRAHYDROPYRAN-3-YL]ACETAMIDE	ME769038	1.08	1.29	NA	NA
L-PROLYL-L-METHIONINE	ME769752	1.08	1.29	NA	NA
L-PROLYL-L-LEUCINE	ME770942	1.08	1.29	NA	NA
2-[BIS(2-HYDROXYETHYL)AMINO]ACETIC ACID	ME770566	1.08	1.29	NA	NA
CER(D18:0/18:1)	ME770703	1.08	1.29	NA	NA
(Z)-7-[(1R,2R,3R)-2-[(E,3S,7S)-3,7-DIHYDROXYOCT-1-ENYL]-3-HYDROXY-5-KETO-CYCLOPENTYL]HEPT-5-ENOIC ACID	ME770280	1.11	1.27	NA	NA
(E)-3-(O-TOLYL)ACRYLIC ACID	ME770798	1.11	1.27	NA	NA
2-HYDROXY-3-(1H-INDOL-3-YL)BUTYRIC ACID	ME769815	1.11	1.27	NA	NA
2-METHYL-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	ME770218	1.11	1.27	NA	NA
2-[2-[BIS(2-HYDROXYETHYL)AMINO]-N-(2-HYDROXYETHYL)ANILINO]ETHANOL	ME770197	1.10	1.26	NA	NA
OXIRAN-2-YLMETHANOL	ME769203	1.10	1.27	NA	NA
METHYL-[(7R,8S)-2-OXA-6-AZATRICYCLO[4.2.1.03,7]NONAN-8-YL]AMINE	ME769851	1.10	1.27	NA	NA
4-[2-[(1R,4AS,5R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-5-METHYLOL-DECALIN-1-YL]ETHYL]-2H-FURAN-5-ONE	ME769388	1.10	1.27	NA	NA
3-METHYL-7-PROPYL-XANTHINE	ME769714	1.10	1.27	NA	NA
3-ETHYL-2,8-DIMETHYL-4-QUINOLONE	ME769098	1.10	1.27	NA	NA
(3E,5R,6E,8S,9E,13S,14R)-5-HYDROXY-8-METHOXY-5,9,13,14-TETRAMETHYL-1-OXACYCLOTETRADECA-3,6,9-TRIEN-2-ONE	ME769143	1.10	1.27	NA	NA
1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID	ME770547	1.10	1.27	NA	NA
(2S)-2-AMINO-2-(1-NAPHTHYL)PROPIONIC ACID	ME769824	1.10	1.27	NA	NA
2-[2-[2-(2-LAURYLOXYETHOXY)ETHOXY]ETHOXY]ETHANOL	ME770268	1.08	1.27	NA	NA
6-(5-HYDROXY-4-METHYLENE-CYCLOHEX-2-EN-1-YL)-2-METHYL-HEPT-2-EN-4-ONE	ME769897	1.09	1.27	NA	NA
L-TYROSYLGLYCYLGLYCINE	ME770595	1.10	1.28	NA	NA
BISABOLOL OXIDE A	ME770258	1.10	1.28	NA	NA
ETHYL N-ACETYL-L-TYROSINATE	ME770813	1.10	1.28	NA	NA
TRIPHENYL PHOSPHATE	ME770356	1.09	1.28	NA	NA
ECHINULIN	ME769236	1.09	1.28	NA	NA
7ALPHA,24S-DIHYDROXYCHOLESTEROL	ME770453	1.09	1.28	NA	NA
5-METHYLCYTOSINE	ME768911	1.09	1.28	NA	NA
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]-5-METHYL-PYRIMIDIN-2-ONE	ME768912	1.09	1.28	NA	NA
3-KETO-3-(P-TOLYL)PROPIONIC ACID ETHYL ESTER	ME770575	1.09	1.28	NA	NA
(2S)-2-[[(2R,3R)-2-AMINO-3-HYDROXY-BUTANOYL]AMINO]-3-PHENYL-PROPIONIC ACID	ME769492	1.09	1.28	NA	NA
2,6-DIMETHYLISONICOTINIC ACID	ME769554	1.09	1.28	NA	NA
1-(5-METHYLPYRIDIN-2-YL)ETHAN-1-ONE	ME770067	1.09	1.28	NA	NA
2-(6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID	ME770143	1.09	1.28	NA	NA
L-ISOLEUCYL-L-PROLINE	ME770501	1.09	1.29	NA	NA
(E,3S,5R)-7-[4-(4-FLUOROPHENYL)-5-(HYDROXYMETHYL)-2,6-DI(PROPAN-2-YL)PYRIDIN-3-YL]-3,5-BIS(OXIDANYL)HEPT-6-ENOIC ACID	ME769627	1.09	1.29	NA	NA
(5~{S})-6-[6-[(1~{E},3~{R},5~{Z})-3-HYDROXYUNDECA-1,5-DIENYL]-2-PYRIDYL]HEXANE-1,5-DIOL	ME769547	1.09	1.29	NA	NA
[2-(5-KETOPHENOTHIAZIN-10-YL)-1-METHYL-ETHYL]-DIMETHYL-AMINE	ME769871	1.09	1.29	NA	NA
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770604	1.09	1.29	NA	NA
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770616	1.09	1.29	NA	NA
4-(3-HEXYL-2,5-DIKETO-4-METHYL-3-PYRROLIN-1-YL)BUTYRAMIDE	ME769189	1.03	1.27	NA	NA
NICOFIBRATE	ME769992	1.05	1.23	NA	NA
1-AZANIUMYLCYCLOHEXANE-1-CARBOXYLATE	ME770882	1.03	1.23	NA	NA
SN-GLYCERO-3-PHOSPHOCHOLINE	ME768944	1.04	1.23	NA	NA
[1-(7H-PURIN-6-YL)-4-PIPERIDYL]AMINE	ME769442	1.06	1.27	NA	NA
4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER	ME769878	1.06	1.25	NA	NA
N-ACETYLPUTRESCINE	ME769611	1.07	1.25	NA	NA
3-METHYL-4-(METHYLAMINO)PHENOL	ME769110	1.01	1.20	NA	NA
4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTER	ME769368	1.01	1.23	NA	NA
CAPSAICIN	ME770388	0.99	1.25	NA	NA
N-CARBAMOYLPUTRESCINE	ME770357	1.00	1.30	NA	NA
2-[4-(3-AMINO-2-HYDROXYPROPOXY)PHENYL]ACETAMIDE	ME770182	0.95	1.30	NA	NA
(5S,7S)-10,10-DIMETHYL-3LAMBDA6-THIA-4-AZATRICYCLO[5.2.1.01,5]DECANE 3,3-DIOXIDE	ME769250	0.96	1.28	NA	NA
PI-CER 35:0;3O	ME770358	1.05	1.32	NA	NA
6-[4-[1-(4-OXIDANYLCYCLOHEXYL)-1,2,3,4-TETRAZOL-5-YL]BUTOXY]-3,4-DIHYDRO-1H-QUINOLIN-2-ONE	ME769597	1.05	1.32	NA	NA
2-INDOL-1-YLACETAMIDE	ME770631	1.05	1.32	NA	NA
2-AMINO-2-(2-CHLOROPHENYL)ACETIC ACID	ME769658	1.05	1.32	NA	NA
1-EICOSYL-GLYCERO-3-PHOSPHOCHOLINE	ME770589	1.05	1.32	NA	NA
1-[2-(ETHOXYMETHYL)-4-IMINO-1H,4H,5H-IMIDAZO[4,5-C]QUINOLIN-1-YL]-2-METHYLPROPAN-2-OL	ME770518	1.05	1.32	NA	NA
1-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)PROPAN-1-ONE	ME769734	1.05	1.32	NA	NA
SM 13:0;2O/20:1	ME769921	1.05	1.33	NA	NA
(5Z)-4-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-2-METHYL-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYETHYLIDENE]CYCLOPENTENE-1-CARBOXYLIC ACID	ME769266	1.05	1.33	NA	NA
5-(7-KETO-1,2,4A,5-TETRAMETHYL-3,4,8,8A-TETRAHYDRO-2H-NAPHTHALEN-1-YL)-3-METHYL-VALERIC ACID	ME770035	1.05	1.33	NA	NA
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID	ME768902	1.05	1.33	NA	NA
[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME769864	1.05	1.33	NA	NA
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE	ME769082	1.05	1.33	NA	NA
2-(2-METHOXYPHENYL)-2-(METHYLAMINO)CYCLOHEXANONE	ME769873	1.05	1.33	NA	NA
2-AMINO-6-UREIDO-HEXANOIC ACID	ME768959	1.05	1.33	NA	NA
N-[1-(6-KETO-4-METHOXY-PYRAN-2-YL)-2-METHYL-PROPYL]ACETAMIDE	ME770242	1.05	1.31	NA	NA
PC 12:0_22:3	ME769630	1.06	1.31	NA	NA
(8S,10R,13R,17R)-17-[(E,1R)-4-ETHYL-1,5-DIMETHYL-HEX-2-ENYL]-10,13-DIMETHYL-1,2,6,7,8,9,11,12,14,15,16,17-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-3-ONE	ME769724	1.06	1.31	NA	NA
2-(ALLYLAMINO)-N-PHENYL-2-THIOXO-ACETAMIDE	ME768976	1.06	1.31	NA	NA
5-(CHLOROMETHYL)-2-METHYL-4-METHYLOL-PYRIDIN-3-OL	ME768980	1.06	1.31	NA	NA
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID	ME769025	1.06	1.32	NA	NA
LPC 22:4-SN1	ME770586	1.06	1.32	NA	NA
(E)-N-PHENETHYL-3-PHENYL-ACRYLAMIDE	ME769111	1.03	1.35	NA	NA
1-(1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)BUTAN-1-ONE	ME769164	1.03	1.35	NA	NA
(7R,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-7-(METHYLTHIO)SPIRO[2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-17,5^-TETRAHYDROFURAN]-2^,3-QUINONE	ME769329	1.03	1.35	NA	NA
N(1),N(1),N(2),N(2)-TETRAKIS[(PYRIDIN-2-YL)METHYL]ETHANE-1,2-DIAMINE	ME769209	1.03	1.34	NA	NA
L-SERYL-L-ISOLEUCINE	ME769141	1.03	1.34	NA	NA
AZITHROMYCIN	ME769742	1.03	1.34	NA	NA
ALPHA-N-PHENYLACETYLGLUTAMINE	ME768898	1.03	1.34	NA	NA
(6R,8S,9R,10S,11S,13S,14S,17S)-9-FLUORO-6,11,17-TRIHYDROXY-10,13,17-TRIMETHYL-1,2,6,7,8,11,12,14,15,16-DECAHYDROCYCLOPENTA[A]PHENANTHREN-3-ONE	ME770066	1.03	1.34	NA	NA
4-[(2-CARBOXYETHYL)AMINO]BUTANOIC ACID	ME770819	1.03	1.34	NA	NA
1-(3-METHYLPYRAZIN-2-YL)ETHAN-1-ONE	ME769975	1.03	1.34	NA	NA
1-(9E-HEXADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770686	1.03	1.34	NA	NA
N-CYCLOHEXYL-4-(DIMETHYLAMINO)THIOBENZAMIDE	ME769142	1.04	1.34	NA	NA
LYS-PRO	ME770486	1.04	1.34	NA	NA
LPC O-22:1	ME770830	1.04	1.34	NA	NA
5-HYDROXY-3-(4-HYDROXYPHENYL)-7-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-CHROMONE	ME770936	1.04	1.34	NA	NA
(3AS,4S,4AR,5S,7S,7AS,8R,9AS)-4-HYDROXY-4A,8-DIMETHYL-3-METHYLIDENE-2-OXODODECAHYDROAZULENO[6,5-B]FURAN-5,7-DIYL DIACETATE	ME769939	1.04	1.34	NA	NA
2,6-DIMETHYL-4-QUINOLONE	ME770695	1.04	1.34	NA	NA
(2E,4E,6E,8E)-10-{[(3R,4S,5S,6R)-5-METHOXY-4-[(2R,3R)-2-METHYL-3-(3-METHYLBUT-2-EN-1-YL)OXIRAN-2-YL]-1-OXASPIRO[2.5]OCTAN-6-YL]OXY}-10-OXODECA-2,4,6,8-TETRAENOIC ACID	ME769789	1.04	1.34	NA	NA
BETONICINE	ME769755	1.04	1.33	NA	NA
TRANS-3-HYDROXYCOTININE	ME770330	1.04	1.33	NA	NA
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN-3-CARBOXYLIC ACID	ME770194	1.02	1.34	NA	NA
(3-METHOXY-4-PYRROLIDINO-PHENYL)AMINE	ME770415	1.02	1.33	NA	NA
4-(3-METHOXY-4-NITRO-PHENYL)MORPHOLINE	ME770394	1.02	1.32	NA	NA
2-(DIFLUOROMETHOXY)-4-PYRIDONE	ME770236	1.03	1.32	NA	NA
3-(2-PYRIDYL)PROPAN-1-OL	ME769326	1.03	1.33	NA	NA
L-PHENYLALANYLGLYCINE	ME769354	1.03	1.33	NA	NA
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID	ME769259	0.99	1.39	NA	NA
L-ALANYL-L-LEUCINE	ME769999	0.99	1.39	NA	NA
TERT-BUTYL(3-PYRIDYLMETHYL)AMINE	ME769970	0.98	1.39	NA	NA
N-ACETYLHISTAMINE	ME770898	0.98	1.39	NA	NA
HEXCER 17:2;2O/23:0;O	ME770684	0.98	1.39	NA	NA
CER 18:1;3O/16:0;(2OH)	ME769636	0.98	1.39	NA	NA
4-METHYL-1-PHENYL-PENTAN-3-ONE	ME770770	0.98	1.39	NA	NA
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(DIMETHYLAMINO)ETHOXY]PHOSPHINIC ACID	ME770312	0.98	1.39	NA	NA
1-(2,6-DIMETHYLPHENYL)-2H-TETRAZOLE-5-THIONE	ME769116	0.98	1.39	NA	NA
25-HYDROXY-CHOLESTEROL	ME770625	0.98	1.39	NA	NA
1-ACETYL-10A,12A-DIMETHYL-4,4A,4B,5,6,10B,11,12-OCTAHYDRO-1H-NAPHTH[2,1-F]ISOCHROMENE-3,8-QUINONE	ME769764	0.98	1.38	NA	NA
2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID	ME770742	0.98	1.38	NA	NA
1-(TERT-BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL	ME769258	0.99	1.36	NA	NA
N-(2-KETO-1-METHYL-3,4-DIHYDROQUINOLIN-6-YL)-2,4-DIMETHOXY-BENZENESULFONAMIDE	ME769385	1.00	1.37	NA	NA
{2-[4-(2-BUTYL-1-BENZOFURAN-3-CARBONYL)-2,6-DIIODOPHENOXY]ETHYL}(ETHYL)AMINE	ME770233	1.00	1.37	NA	NA
L-PHENYLALANYL-L-LEUCINE	ME770007	1.00	1.37	NA	NA
1-METHYL-3-[(2R)-1-METHYL-2-PYRROLIDINYL]PYRIDIN-1-IUM	ME769418	0.99	1.37	NA	NA
2-AMINO-2-METHYL-4-PHENYL-BUTYRIC ACID	ME769892	0.99	1.37	NA	NA
N-ACETYLVALINE	ME770617	0.99	1.38	NA	NA
LPC O-22:2	ME770774	0.99	1.38	NA	NA
CARNITINE	ME768928	0.99	1.38	NA	NA
BEHENOYL-EA	ME770310	0.99	1.38	NA	NA
1-METHYLINDAZOLE-4-CARBALDEHYDE	ME770100	0.99	1.38	NA	NA
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3H-BENZIMIDAZOL-5-OL	ME769928	0.99	1.38	NA	NA
(2R,3R,4R,5S)-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL	ME770700	1.00	1.33	NA	NA
N-[2-(4-HYDROXYPHENYL)ETHYL]ACETAMIDE	ME769039	0.99	1.34	NA	NA
(Z)-3-(4-HYDROXYPHENYL)-N-[4-[[(Z)-3-(4-HYDROXYPHENYL)ACRYLOYL]AMINO]BUTYL]ACRYLAMIDE	ME770768	1.00	1.35	NA	NA
(4-FLUORO-4-PIPERIDYL)METHANOL	ME769431	1.01	1.35	NA	NA
PANCRACINE	ME769539	1.01	1.35	NA	NA
PREGNENOLONE	ME770744	1.02	1.35	NA	NA
PC 12:0_24:3	ME769427	1.02	1.35	NA	NA
1-[4-(4-AMINO-2-METHYL-PHENYL)PIPERAZINO]ETHANONE	ME769130	1.02	1.35	NA	NA
(1R,3R,3AS,4S,6Z,7R,9AR,10AR)-1-(HYDROXYMETHYL)-4,9A-DIMETHYL-7-(PROPAN-2-YL)-1,2,3,3A,4,5,7,8,9,9A,10,10A-DODECAHYDRODICYCLOPENTA[A,D]CYCLOOCTENE-3,4-DIOL	ME769748	1.02	1.35	NA	NA
METHYL N-(3,3-DIMETHYLBUTYL)-L-ALPHA-ASPARTYL-L-PHENYLALANINATE	ME769426	1.02	1.36	NA	NA
LPC O-24:1	ME770682	1.02	1.36	NA	NA
3-METHYLXANTHINE	ME768887	1.02	1.36	NA	NA
1-(P-TOLYL)CYCLOPROPANECARBOXYLIC ACID	ME769058	1.02	1.36	NA	NA
1-METHYL-3-(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE	ME769028	1.02	1.36	NA	NA
1-METHYLXANTHINE	ME769762	1.02	1.36	NA	NA
(1S,2R,10R,13R,14S,18S)-9-HYDROXY-2,18-DIMETHYL-6,7-DIAZAPENTACYCLO[11.7.0.02,10.04,8.014,18]EICOSA-4(8),5-DIEN-17-ONE	ME769920	1.01	1.37	NA	NA
3-METHOXYPROPYL(7H-PURIN-6-YL)AMINE	ME769132	1.01	1.37	NA	NA
PC 15:0_22:4	ME769071	1.01	1.36	NA	NA
(6S)-2^-KETO-1-METHYL-SPIRO[1,4A,5,5A,7,8,10,10A-OCTAHYDROPYRAN[3,4-F]INDOLIZINE-6,3^-INDOLINE]-4-CARBOXYLIC ACID METHYL ESTER	ME769545	1.01	1.36	NA	NA
5-(1-ADAMANTYLMETHYLAMINO)PENTYL-TRIMETHYL-AMMONIUM	ME769506	1.01	1.36	NA	NA
(2S)-2-ACETAMIDO-3-(1H-INDOL-3-YL)PROPANAMIDE	ME769434	1.01	1.36	NA	NA
2,3,14-TRIHYDROXY-10,13-DIMETHYL-17-(1,2,5,6-TETRAHYDROXY-1,4,5-TRIMETHYL-HEXYL)-2,3,4,5,9,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-6-ONE	ME769344	1.01	1.36	NA	NA
(2R,3R,4S,5R,6R)-2-[[7-[(2R,3R,4R,5S)-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-2,4B,8,8-TETRAMETHYL-2-VINYL-4,4A,5,6,7,8A,9,10-OCTAHYDRO-3H-PHENANTHREN-3-YL]OXY]-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770681	1.01	1.36	NA	NA
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHAN-1-OL	ME770651	1.07	1.20	NA	NA
2-[4-(DIMETHYLAMINO)BENZOYL]BENZOIC ACID	ME769580	1.07	1.22	NA	NA
2-(7-HYDROXY-6-METHYL-OCTYL)-2H-FURAN-5-ONE	ME768992	1.09	1.16	NA	NA
1-(BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL	ME769520	1.10	1.21	NA	NA
3,3-DIETHYL-1H-PYRIDINE-2,4-DIONE	ME769821	1.10	1.18	NA	NA
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID	ME769850	1.12	1.19	NA	NA
PIPERIDINE-3-CARBOXYLIC ACID	ME770317	1.11	1.19	NA	NA
ACETIC ACID [(1S,4S,4AR,8AS)-4-[(3S)-3-HYDROXY-3-METHYLPENT-4-ENYL]-4A,8,8-TRIMETHYL-3-METHYLENE-2,4,5,6,7,8A-HEXAHYDRO-1H-NAPHTHALEN-1-YL] ESTER	ME770243	1.19	1.17	NA	NA
2-(2-CHLOROPHENYL)-2-(2-KETO-4,6,7,7A-TETRAHYDROTHIENO[3,2-C]PYRIDIN-5-YL)ACETIC ACID METHYL ESTER	ME769518	1.19	1.19	NA	NA
[4-(4-AMINO-3,5-DIMETHYL-PHENYL)-2,6-DIMETHYL-PHENYL]AMINE	ME770129	1.19	1.19	NA	NA
SPHINGOSINE-1-PHOSPHOCHOLINE	ME769544	1.20	1.18	NA	NA
PC 20:1_16:2	ME769917	1.20	1.18	NA	NA
5-(2-KETO-1,3,3A,4,6,6A-HEXAHYDROTHIEN[3,4-D]IMIDAZOL-4-YL)VALEROHYDRAZIDE	ME770671	1.20	1.18	NA	NA
3-(PIPERIDIN-2-YL)PYRIDINE	ME769753	1.20	1.18	NA	NA
2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ETHANOL	ME770772	1.20	1.18	NA	NA
2-(3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-YLIDENE)MALONONITRILE	ME769973	1.20	1.18	NA	NA
PC 8:0_28:3	ME769592	1.19	1.18	NA	NA
ETHYL-ISOPROPYL-PHENYL-AMINE	ME769649	1.19	1.18	NA	NA
(5,7-DIMETHYL-4H-IMIDAZO[4,5-B]PYRIDIN-2-YL)AMINE	ME769036	1.19	1.18	NA	NA
3-OXIDANYL-N-[(3S)-2-OXIDANYLIDENEOXOLAN-3-YL]OCTANAMIDE	ME770302	1.19	1.18	NA	NA
4-AMINOBUTYL-(2-NITROPHENYL)AMINE	ME769660	1.19	1.18	NA	NA
EICOSANOYL-EA	ME769045	1.16	1.18	NA	NA
(2S,3R,4E)-1,3-DIHYDROXYHEXADEC-4-EN-2-AMINIUM	ME769131	1.17	1.18	NA	NA
2-[(2-ETHYL-6-METHYLPHENYL)(1-METHOXYPROPAN-2-YL)AMINO]-2-OXOETHANESULFONIC ACID	ME769170	1.17	1.19	NA	NA
4-(4-PIPERIDYL)-1-PYRROLIDINOSULFONYL-PIPERIDINE	ME770408	1.17	1.19	NA	NA
N-METHYLHISTIDINE	ME770539	1.17	1.17	NA	NA
5-METHYLPICOLINIC ACID	ME769457	1.17	1.17	NA	NA
N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYLNONANAMIDE	ME770318	1.17	1.17	NA	NA
(1R,4Z,7R)-4-ETHYLIDENE-7-HYDROXY-7-METHYL-6-METHYLENE-2,9-DIOXA-14-AZATRICYCLO[9.5.1.014,17]HEPTADEC-11-ENE-3,8-QUINONE	ME769279	1.18	1.17	NA	NA
SACCHAROPINE	ME770428	1.18	1.18	NA	NA
L-PHENYLALANYL-L-THREONINE	ME769820	1.18	1.18	NA	NA
[(1S,5R)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-YL]AMINE	ME769448	1.18	1.18	NA	NA
(1S,6S,8R)-11,11-DIMETHYL-5-OXA-3LAMBDA6-THIA-4-AZATETRACYCLO[6.2.1.01,6.04,6]UNDECANE 3,3-DIOXIDE	ME769335	1.18	1.18	NA	NA
N-ACETYLPHENYLALANINE	ME768868	1.15	1.19	NA	NA
LPC O-20:1	ME770533	1.18	1.19	NA	NA
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-DIACETOXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID METHYL ESTER	ME770446	1.18	1.19	NA	NA
1-PYRIDIN-4-YLPIPERIDIN-4-AMINE	ME769128	1.18	1.19	NA	NA
3-METHYL-N-(6-METHYL-2-PYRIDYL)BENZAMIDE	ME769009	1.18	1.19	NA	NA
L-METHIONYL-L-PROLINE	ME770556	1.18	1.20	NA	NA
6-METHYLPYRIDIN-3-OL	ME770546	1.18	1.20	NA	NA
4-METHYLPYRIDINE	ME770562	1.18	1.20	NA	NA
[(1S)-5-METHYL-1-(4-METHYLPENT-3-ENYL)-2-OXABICYCLO[2.2.2]OCTAN-4-YL]METHANOL	ME769669	1.18	1.20	NA	NA
2-ETHYL-3-METHYLPYRAZINE	ME769662	1.18	1.20	NA	NA
BIOTIN	ME768962	1.17	1.21	NA	NA
1,2-DIHEPTADECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770052	1.17	1.21	NA	NA
9S,15S-DIHYDROXY-11-OXO-16,16-DIMETHYL-5Z,13E-PROSTADIENOIC ACID	ME770430	1.17	1.21	NA	NA
PC 19:1_16:3	ME769396	1.16	1.21	NA	NA
4-(9H-BETA-CARBOLIN-1-YLMETHYL)-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLIC ACID METHYL ESTER	ME770235	1.16	1.21	NA	NA
(3S)-3,7-DIAMINOHEPTANOIC ACID	ME770758	1.16	1.21	NA	NA
(2R,3R,4S,5S,6R)-2-[(2R,3R)-4-(4-HYDROXY-3-METHOXY-PHENYL)-3-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]-2-VANILLYL-BUTOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770069	1.16	1.21	NA	NA
[(2~{R})-3-CETYLOXY-2-ETHOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME770691	1.16	1.21	NA	NA
(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHANOL	ME769176	1.16	1.21	NA	NA
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769929	1.16	1.21	NA	NA
PC 21:1_16:2	ME770406	1.17	1.20	NA	NA
PC(16:0/16:0)	ME769602	1.17	1.20	NA	NA
N-[(3R,4R,5S,6R)-2,5-DIHYDROXY-6-METHYLOL-4-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]ACETAMIDE	ME769433	1.17	1.20	NA	NA
ALPHA-L-FUCOPYRANOSYL-(1->3)-[ALPHA-L-FUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->4)]-2-ACETAMIDO-2-DEOXY-D-GLUCOPYRANOSE	ME770107	1.17	1.20	NA	NA
7,12-BIS(1-HYDROXYETHYL)-3,8,13,17-TETRAMETHYLPORPHYRIN-2,18-DIPROPANOIC ACID	ME770158	1.17	1.20	NA	NA
5-(P-TOLYL)-1H-PYRAZOLE-4-CARBALDEHYDE	ME769179	1.17	1.20	NA	NA
4-[2-[(1R,5R,8AS)-5,8A-DIMETHYL-2-METHYLENE-5-[[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]DECALIN-1-YL]ETHYL]-2H-FURAN-5-ONE	ME770374	1.17	1.20	NA	NA
(3-METHYL-4-PYRROLIDINO-PHENYL)AMINE	ME769459	1.17	1.20	NA	NA
3-(2,5-DIMETHYLPYRROL-1-YL)-4-HYDROXY-BENZOIC ACID	ME770851	1.17	1.20	NA	NA
1-PYRIDIN-2-YLPIPERIDIN-4-AMINE	ME769218	1.17	1.20	NA	NA
[2,5-BIS(OXIDANYLIDENE)PYRROLIDIN-1-YL] 5-[(3AS,4S,6AR)-2-OXIDANYLIDENE-1,3,3A,4,6,6A-HEXAHYDROTHIENO[3,4-D]IMIDAZOL-4-YL]PENTANOATE	ME770393	1.17	1.20	NA	NA
N-METHYLTRYPTAMINE	ME769783	1.16	1.20	NA	NA
L-HISTIDYL-L-SERINE	ME769620	1.16	1.20	NA	NA
BETA-CARBOLINE	ME769003	1.16	1.20	NA	NA
ANATABINE	ME770101	1.16	1.20	NA	NA
(1~{R},4~{S},5~{R},9~{S},10~{R},13~{S})-14-KETO-5,9,13-TRIMETHYL-TETRACYCLO[11.2.1.0^{1,10}.0^{4,9}]HEXADECANE-5-CARBOXYLIC ACID	ME769596	1.16	1.20	NA	NA
4-AMINO-1-METHYL-CHROMENO[3,4-C]PYRIDIN-5-ONE	ME770868	1.16	1.20	NA	NA
(1-AMINOCYCLOBUTYL)METHYLAMINE	ME770893	1.13	1.22	NA	NA
5,7-DIMETHYLQUINOLIN-8-OL	ME770838	1.12	1.22	NA	NA
ISOPROPALIN	ME769786	1.15	1.22	NA	NA
6-[(CYCLOHEXYLCARBAMOYL)AMINO]HEXANOIC ACID	ME769595	1.15	1.22	NA	NA
4-[2-[(2-ETHYL-2,3-DIHYDROXY-BUTANOYL)OXYMETHYL]ANILINO]-4-KETO-BUTYRIC ACID	ME770847	1.15	1.22	NA	NA
2-METHOXY-6-METHYL-5,6,6A,7-TETRAHYDRO-4H-DIBENZO[DE,G]QUINOLIN-1-OL	ME770419	1.15	1.22	NA	NA
2-(DIMETHYLAMINO)ETHANESULFONIC ACID	ME769162	1.15	1.22	NA	NA
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHENYL)ACETAMIDE	ME769707	1.15	1.22	NA	NA
2-(3-OXIDANYLPROPYL)ISOINDOLE-1,3-DIONE	ME770514	1.15	1.22	NA	NA
1-(2,3-DIMETHYLPHENYL)-2-(ETHYLAMINO)PROPAN-1-ONE	ME769766	1.15	1.22	NA	NA
1,7-DIOXACYCLOHEPTADECAN-8-ONE	ME769723	1.15	1.22	NA	NA
STEAROYL-EA	ME769858	1.16	1.22	NA	NA
PENTADECANOYL-EA	ME770154	1.16	1.22	NA	NA
PC 13:0_22:4	ME770065	1.16	1.22	NA	NA
(1-PHENYLETHYL)HYDRAZINE	ME769414	1.16	1.22	NA	NA
6-[4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)ETHYLIDENE]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-1-YL]-2-METHYL-HEPTANE-2,3-DIOL	ME769281	1.16	1.22	NA	NA
4-[[2-[(E)-3-HYDROXYBUT-1-ENYL]-5-KETO-TETRAHYDROFURAN-3-YL]AMINO]BENZALDEHYDE	ME770804	1.14	1.22	NA	NA
3-[(2S)-6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL]PROPIONIC ACID	ME769055	1.15	1.23	NA	NA
(Z)-3-(3,4-DIMETHOXYPHENYL)-2-(3-PYRIDYL)ACRYLONITRILE	ME769223	1.14	1.23	NA	NA
PC O-17:0	ME770834	1.14	1.23	NA	NA
N-(4-HYDROXY-3-METHYL-PHENYL)ACETAMIDE	ME770496	1.14	1.23	NA	NA
(3S,5S,7R,9S,10R,13R,14S,16S,19S,27S)-19-HYDROXY-5,7,9,11-TETRAMETHYL-13-VINYL-2-OXA-18-AZAHEXACYCLO[19.2.2.13,10.116,19.04,9.014,27]HEPTACOSA-1(24),11,21(25),22-TETRAENE-15,17-QUINONE	ME770736	1.14	1.23	NA	NA
L-LYSYL-L-LEUCINE	ME770493	1.14	1.23	NA	NA
L-ALPHA-ASPARTYL-L-VALINE	ME769195	1.09	1.24	NA	NA
N-(4-ACETAMIDOPHENYL)CYCLOPROPANECARBOXAMIDE	ME770897	1.10	1.24	NA	NA
NOTOGINSENOSIDE R2	ME770564	1.14	1.24	NA	NA
L-LEUCYL-L-LYSINE	ME769860	1.13	1.23	NA	NA
SM 9:0;2O/25:0	ME770008	1.13	1.24	NA	NA
PC 18:1_16:2	ME769421	1.13	1.24	NA	NA
L-VALYL-L-THREONINE	ME770585	1.13	1.24	NA	NA
ACETIC ACID [2-[(3S,5R,8S,9S,10S,13S,14S,17R)-3-ACETOXY-17-HYDROXY-11-KETO-10,13-DIMETHYL-2,3,4,5,6,7,8,9,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]-2-KETO-ETHYL] ESTER	ME769919	1.13	1.24	NA	NA
8-METHYL-8-AZABICYCLO[3.2.1]OCT-2-ENE-2-CARBOXYLIC ACID METHYL ESTER	ME769737	1.13	1.24	NA	NA
4-[[4-(DIETHYLAMINO)BENZYLIDENE]AMINO]BENZOIC ACID	ME769674	1.13	1.24	NA	NA
(3R,4R,4AR,6AR,6BS,8AR,12AR,14BR)-3-HYDROXY-4,6A,6B,8A,11,11,14B-HEPTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICENE-4-CARBOXYLIC ACID	ME769146	1.13	1.24	NA	NA
3-AMINO-N-(3-AMINOPHENYL)BENZAMIDE	ME770740	1.13	1.24	NA	NA
3,5-LUTIDINE	ME770606	1.13	1.24	NA	NA
(2-BENZYLPHENYL)AMINE	ME769269	1.13	1.24	NA	NA
1,1-DIMETHYLPIPERIDINIUM	ME769799	1.13	1.24	NA	NA
2-[4-(2,5-DIMETHYLPYRROL-1-YL)PHENYL]ACETIC ACID	ME769839	1.13	1.24	NA	NA
7ALPHA,25-DIHYDROXYCHOLESTEROL	ME769119	1.12	1.24	NA	NA
GLYCYL-L-LYSINE	ME769484	1.12	1.24	NA	NA
2-(5-KETO-1-PROPYL-PYRROLIDIN-2-YL)ACETIC ACID	ME769842	1.11	1.25	NA	NA
2-BROMO-N-(P-TOLYL)PROPIONAMIDE	ME770127	1.11	1.26	NA	NA
[(1S,2S,4R,5R)-9-METHYL-3-OXA-9-AZATRICYCLO[3.3.1.02,4]NONAN-7-YL] (2S)-2,3-BIS(OXIDANYL)-2-PHENYL-PROPANOATE	ME769525	1.11	1.26	NA	NA
2-[[2-(2-HYDROXY-3-KETO-2-PENT-2-ENYL-CYCLOPENTYL)ACETYL]AMINO]-3-METHYL-VALERIC ACID	ME770729	1.11	1.26	NA	NA
N-(2-PYRIDYL)-2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ACETAMIDE	ME769834	1.12	1.26	NA	NA
4-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBENZALDEHYDE	ME770739	1.12	1.26	NA	NA
(4-FLUOROTETRAHYDROPYRAN-4-YL)METHYLAMINE	ME769829	1.12	1.26	NA	NA
VANCOMYCIN	ME769770	1.12	1.25	NA	NA
(9Z,12E)-15,16-DIHYDROXYOCTADECA-9,12-DIENOIC ACID	ME769652	1.12	1.25	NA	NA
9-OXO-11R,15S-DIHYDROXY-16,16-DIMETHYL-13E-PROSTAENOIC ACID	ME770042	1.12	1.25	NA	NA
7-ETHOXY-4H-1,4-BENZOTHIAZIN-3-ONE	ME770843	1.12	1.25	NA	NA
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL]METHYL}THIOPHENE-2-CARBOXAMIDE	ME769598	1.12	1.25	NA	NA
5-(2,5-DIKETOTETRAHYDROFURAN-3-YL)-7-METHYL-3A,4,5,7A-TETRAHYDROISOBENZOFURAN-1,3-QUINONE	ME769232	1.12	1.25	NA	NA
(4AS,7R)-7-ISOPROPENYL-1,4A-DIMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-ONE	ME770373	1.12	1.25	NA	NA
(4AS,6AS,6BR,9R,10S,12AR,14BS)-10-HYDROXY-12-KETO-2,2,6A,6B,9,12A-HEXAMETHYL-9-METHYLOL-3,4,5,6,6A,7,8,8A,10,11,13,14B-DODECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID	ME769144	1.12	1.25	NA	NA
(2S)-7-[(2S,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2-(3-HYDROXY-4-METHOXY-PHENYL)CHROMAN-4-ONE	ME769033	1.12	1.25	NA	NA
2,5,7-TRIMETHYL-4-QUINOLONE	ME770027	1.12	1.25	NA	NA
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770378	1.12	1.25	NA	NA
(2-{[(2R)-2-[(11Z,14Z)-ICOSA-11,14-DIENOYLOXY]-3-[(9Z)-TETRADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME769584	1.12	1.25	NA	NA
(6AR,11AS,11BR)-10-ACETYL-11-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-9H-PYRROLO[1^,2^:2,3]ISOINDOLO[4,5,6-CD]INDOL-9-ONE	ME770121	1.13	1.25	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769408	1.13	1.25	NA	NA
3-(2,5-DIMETHYLPYRROL-1-YL)-2-METHYL-BENZOIC ACID	ME769626	1.13	1.25	NA	NA
2-BENZYLMALONIC ACID DIETHYL ESTER	ME769470	1.09	1.10	NA	NA
CICLOPIROX	ME770071	1.15	1.15	NA	NA
1-(4-IODOPHENYL)PIPERAZINE	ME770522	1.15	1.11	NA	NA
(1R,5S)-1-(1-HYDROXY-2-METHYL-PROPYL)-4-METHYL-6-OXA-2-AZABICYCLO[3.2.0]HEPTANE-3,7-QUINONE	ME769328	1.13	1.13	NA	NA
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(HEXADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769219	1.24	1.11	NA	NA
(Z)-4-ACETOXY-2-METHYLOL-BUT-2-ENOIC ACID [2-(1-CARBOMETHOXYVINYL)-3-HYDROXY-5-METHYL-4-(1-METHYLOLVINYL)-5-VINYL-CYCLOHEXYL] ESTER	ME769504	1.24	1.10	NA	NA
PILOCARPINE	ME768932	1.25	1.12	NA	NA
N-(4-HYDROXYPHENYL)GLYCINE	ME770885	1.25	1.12	NA	NA
3-(N-METHYLANILINO)-2H-FURAN-5-ONE	ME770783	1.25	1.12	NA	NA
2-AMINO-9-[(1S,3R,4S)-4-HYDROXY-3-(HYDROXYMETHYL)-2-METHYLIDENECYCLOPENTYL]-6,9-DIHYDRO-3H-PURIN-6-ONE	ME769935	1.25	1.12	NA	NA
2-CHLORO-1-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE	ME769202	1.25	1.12	NA	NA
LURASIDONE	ME769903	1.25	1.13	NA	NA
(8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-8,11-DIENOIC ACID	ME770474	1.25	1.13	NA	NA
CROTONIC ACID	ME770683	1.25	1.13	NA	NA
2-(3-FURYL)-7,8-DIHYDROXY-6A,7,10B-TRIMETHYL-2,4A,5,6,8,9,10,10A-OCTAHYDRO-1H-BENZ[F]ISOCHROMEN-4-ONE	ME769993	1.23	1.13	NA	NA
4-(PHENYLAMINO)PHENOL	ME769559	1.23	1.12	NA	NA
LYSINAMIDE	ME770598	1.23	1.14	NA	NA
LPC O-20:2	ME770953	1.23	1.14	NA	NA
AMMOTHAMNINE	ME770343	1.23	1.14	NA	NA
9-OXOODE	ME769681	1.23	1.14	NA	NA
7ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLESTAN-3-ONE	ME769415	1.23	1.14	NA	NA
(6AR,9R)-N,7-DIMETHYL-N-PROPYL-6,6A,8,9-TETRAHYDRO-4H-INDOLO[4,3-FG]QUINOLINE-9-CARBOXAMIDE	ME769221	1.23	1.14	NA	NA
[4-AMINO-6-[(3,5-DIMETHYLPIPERIDINO)METHYL]-S-TRIAZIN-2-YL]-DIMETHYL-AMINE	ME770301	1.23	1.14	NA	NA
(2R)-[(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)OXY](PHENYL)ACETONITRILE	ME770338	1.23	1.14	NA	NA
4,5,7-TRIMETHYL-1,4,6,7-TETRAHYDROPYRROLO[3,2-C]PYRIDINE	ME770287	1.23	1.14	NA	NA
LYSINE	ME768901	1.24	1.13	NA	NA
LOPERAMIDE	ME770001	1.24	1.13	NA	NA
JERVINE	ME770529	1.24	1.13	NA	NA
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-HYDROXY-6,7-DIKETO-10,13-DIMETHYL-2,3,4,5,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID	ME769312	1.24	1.13	NA	NA
4-(2-PHENOXYETHOXY)ANILINE	ME770483	1.24	1.13	NA	NA
2,6-DIMETHYLPYRAZINE	ME769419	1.24	1.13	NA	NA
2-(3,5-DIMETHYLPYRAZOL-1-YL)ACETOHYDRAZIDE	ME769173	1.24	1.13	NA	NA
(1R,15R,17S,18S)-17-ETHYL-7-METHOXY-3,13-DIAZAPENTACYCLO[13.3.1.02,10.04,9.013,18]NONADECA-2(10),4(9),5,7-TETRAENE	ME769443	1.24	1.13	NA	NA
(1S,2R,8R,8AR)-OCTAHYDROINDOLIZINE-1,2,8-TRIOL	ME770568	1.24	1.13	NA	NA
THIAMINE MONOPHOSPHATE	ME770611	1.24	1.14	NA	NA
N-[2-(1,3-BENZODIOXOL-5-YL)-2-KETO-1-METHYL-ETHYL]-N-METHYL-ACETAMIDE	ME770078	1.24	1.14	NA	NA
METHYL (4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOATE	ME770193	1.24	1.14	NA	NA
2R,5,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA-3,7,11-TRIEN-1-YL]-3,4-DIHYDRO-2H-CHROMEN-6-OL	ME769289	1.24	1.14	NA	NA
BIOTIN SULFONE	ME769967	1.24	1.14	NA	NA
N-(2,4-DIMETHYLPHENYL)FORMAMIDE	ME769550	1.22	1.14	NA	NA
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME769772	1.22	1.15	NA	NA
SM 18:2;2O/22:1	ME770447	1.22	1.15	NA	NA
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,4S)-4-HYDROXY-4-(1-PROPYLCYCLOBUTYL)BUT-1-ENYL]-5-KETO-CYCLOPENTYL]ENANTHIC ACID	ME769879	1.22	1.15	NA	NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]CARBAMOYL}BUTANOIC ACID	ME769655	1.22	1.15	NA	NA
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE	ME769113	1.22	1.15	NA	NA
(3-AMINO-5-METHYL-PHENYL)AMINE	ME770698	1.22	1.15	NA	NA
(2S)-2-[[(2R)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]-3-(1H-INDOL-3-YL)PROPANOIC ACID	ME769695	1.22	1.15	NA	NA
2-PYRROLIDINO-1-(2-THIENYL)PENTAN-1-ONE	ME769848	1.22	1.15	NA	NA
(2E,6E,10E)-13-[(2R)-6-HYDROXY-2,8-DIMETHYL-CHROMAN-2-YL]-2,6,10-TRIMETHYL-TRIDECA-2,6,10-TRIENOIC ACID	ME769965	1.22	1.15	NA	NA
(2-AMINOETHOXY)[(2R)-2,3-BIS(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769787	1.22	1.15	NA	NA
2-[5-[(3Z,6Z)-2,12-DIHYDROXYDODECA-3,6-DIENYL]TETRAHYDROFURAN-2-YL]ACETIC ACID	ME769912	1.22	1.15	NA	NA
2-(3-PYRIDYL)QUINUCLIDINE	ME770386	1.22	1.15	NA	NA
(1S,2S,10S,13R,14S,16S,17R,18S)-2,17,18-TRIMETHYL-6-OXA-5,7-DIAZAPENTACYCLO[11.7.0.02,10.04,8.014,18]EICOSA-4,7-DIENE-16,17-DIOL	ME770289	1.22	1.15	NA	NA
2-(2-ISOPROPYL-5-METHYL-PHENOXY)ACETIC ACID	ME769756	1.22	1.15	NA	NA
TYROSINE	ME768927	1.21	1.17	NA	NA
N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]CYCLOPROPANECARBOXAMIDE	ME769445	1.21	1.17	NA	NA
(1R,3^S,4S,6R,7R,11Z)-7-HYDROXY-3^,6,7,14-TETRAMETHYL-3H,8H,17H-SPIRO[2,9-DIOXA-14-AZABICYCLO[9.5.1]HEPTADEC-11-ENE-4,2^-OXIRANE]-3,8,17-TRIONE	ME769220	1.21	1.17	NA	NA
LEU-PHE	ME769593	1.21	1.17	NA	NA
QUETIAPINE	ME770172	1.20	1.17	NA	NA
GLIOTOXIN	ME770560	1.20	1.17	NA	NA
GAMMA-TOCOPHEROL	ME769974	1.20	1.17	NA	NA
7-METHYL-7H-PURIN-6-AMINE	ME769398	1.20	1.17	NA	NA
2-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)ETHANOL	ME769831	1.20	1.17	NA	NA
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770044	1.20	1.17	NA	NA
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770279	1.20	1.17	NA	NA
N-[(2S,3R,4E)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL]OCTANAMIDE	ME769026	1.21	1.16	NA	NA
MONOCROTALINE	ME769976	1.21	1.16	NA	NA
L-HISTIDYL-L-VALINE	ME770212	1.21	1.16	NA	NA
COTININE	ME768948	1.21	1.16	NA	NA
ARACHIDONOYL-EA	ME769648	1.21	1.16	NA	NA
ALLOXANTHIN/ TETRADEHYDROZEAXANTHIN / (CYNTHIAXANTHIN)/ (PECTENOXANTHIN)	ME769268	1.21	1.16	NA	NA
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL	ME769901	1.21	1.16	NA	NA
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-OXOCYCLOHEXYL]BUTANOIC ACID	ME770442	1.21	1.16	NA	NA
(3R,5R,6S,7S,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-14-ETHYL-13-HYDROXY-3,5,7,9,13-PENTAMETHYL-1-OXACYCLOTETRADEC-11-ENE-2,4,10-TRIONE	ME770845	1.21	1.16	NA	NA
2-[[4-OXIDANYL-1,1-BIS(OXIDANYLIDENE)THIOLAN-3-YL]AMINO]ETHANOIC ACID	ME770110	1.21	1.16	NA	NA
2-(3-THIOXO-1,2,4-TRIAZASPIRO[4.7]DODECAN-2-YL)ACETIC ACID ETHYL ESTER	ME769100	1.21	1.16	NA	NA
1-METHOXY-3-METHYL-9H-CARBAZOLE	ME769402	1.21	1.16	NA	NA
1-(4-AMINOPHENYL)ETHANONE	ME769364	1.21	1.16	NA	NA
1,4-DIHYDROXY-2,2-DIMETHYL-PIPERAZINE	ME770701	1.21	1.16	NA	NA
1-BENZHYDRYL-3,3-DIFLUORO-AZETIDINE	ME769425	1.22	1.16	NA	NA
L-HISTIDYL-L-LEUCINE	ME770706	1.22	1.16	NA	NA
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID	ME770835	1.20	1.15	NA	NA
5-AMINO-1,3,6-TRIMETHYL-BENZIMIDAZOL-2-ONE	ME769233	1.20	1.15	NA	NA
PALMITOLEOYL-EA	ME770249	1.20	1.16	NA	NA
N-METHYL-L-ISOLEUCINE	ME769625	1.20	1.16	NA	NA
(2S)-5-GUANIDINO-2-(METHYLAMINO)VALERIC ACID	ME769812	1.20	1.16	NA	NA
3-(3,5-DIMETHYLPYRAZOL-1-YL)PROPYLAMINE	ME768996	1.20	1.16	NA	NA
4-ACETAMIDOBUTANOIC ACID	ME768951	1.21	1.12	NA	NA
RETRORSINE	ME769072	1.20	1.13	NA	NA
2-[2-HYDROXYETHYL-(1-METHYLPYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]ETHANOL	ME769531	1.18	1.15	NA	NA
3-AMINO-4-METHOXY-N,N-DIMETHYL-BENZENESULFONAMIDE	ME769642	1.19	1.14	NA	NA
L-VALYL-L-PROLINE	ME770576	1.22	1.07	NA	NA
1-CHLOROSULFONYLNIPECOTIC ACID ETHYL ESTER	ME769057	1.22	1.09	NA	NA
ADRENOYL-EA	ME769302	1.23	1.08	NA	NA
3-IODO-4-PROPARGYLOXY-BENZALDEHYDE	ME769881	1.18	1.04	NA	NA
5-BUTYL-1H-PYRAZOLE-3-CARBOXYLIC ACID	ME770941	1.20	1.04	NA	NA
2-[(2E,5E,7E,9R,10R,11E)-10-HYDROXY-3,7,9,11-TETRAMETHYLTRIDECA-2,5,7,11-TETRAEN-1-YL]-5,6-DIMETHOXY-3-METHYLPYRIDIN-4-OL	ME769068	0.93	1.12	NA	NA
HISTAMINE	ME770728	0.93	1.08	NA	NA
N-(2-KETO-2-PIPERIDINO-ETHYL)BENZENESULFONAMIDE	ME769187	1.00	1.12	NA	NA
(1S,2R,9S,10S,12S)-12-HYDROXY-7,15-DIAZATETRACYCLO[7.7.1.02,7.010,15]HEPTADECAN-6-ONE	ME770656	1.06	1.16	NA	NA
(2R)-2-AMINOBUTANEDIOIC ACID	ME768869	1.05	1.16	NA	NA
3-(4-NITROPHENYL)PROPANOIC ACID	ME770238	1.02	1.17	NA	NA
NIPECOTIC ACID ETHYL ESTER	ME770315	1.03	1.15	NA	NA
2-AMINO-5-OXOHEXANOIC ACID	ME769624	1.49	0.74	NA	NA
N-[2-[[OXO(PYRIDIN-4-YL)METHYL]AMINO]ETHYL]-4-PYRIDINECARBOXAMIDE	ME770239	1.50	0.71	NA	NA
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770603	1.54	0.84	NA	NA
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME769307	1.53	0.84	NA	NA
L-ISOLEUCYL-L-SERINE	ME770125	1.53	0.84	NA	NA
ATORVASTATIN	ME770339	1.53	0.84	NA	NA
6-[4-(1-CYCLOHEXYLTETRAZOL-5-YL)-4-[(2-KETO-3,4-DIHYDRO-1H-QUINOLIN-6-YL)OXY]BUTOXY]-3,4-DIHYDROCARBOSTYRIL	ME769348	1.53	0.84	NA	NA
(5S,8AR)-5,8A-DIMETHYL-3-METHYLENE-5,6,7,8,9,9A-HEXAHYDRO-3AH-BENZO[F]BENZOFURAN-2-ONE	ME769918	1.53	0.84	NA	NA
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID	ME770627	1.53	0.84	NA	NA
[2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAENOYL]OXY-3-HEXADECANOYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME769609	1.53	0.84	NA	NA
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE	ME769517	1.53	0.84	NA	NA
SPHINGANINE	ME769859	1.52	0.85	NA	NA
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OCTADEC-8-EN-2-YL]-2-HYDROXYHEXADECANAMIDE	ME769056	1.52	0.85	NA	NA
4-AMINO-1-[(2R,3R,4R,5R)-3-FLUORO-4-HYDROXY-3-METHYL-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIMIDIN-2-ONE	ME769819	1.52	0.85	NA	NA
2-(3-KETO-6-METHYL-1,4-BENZOXAZIN-4-YL)ACETIC ACID	ME769135	1.52	0.85	NA	NA
2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSYL-(1->3)-[ALPHA-L-FUCOPYRANOSYL-(1->2)]-D-GALACTOPYRANOSE	ME769450	1.52	0.85	NA	NA
TRANS-ZEATIN	ME770844	1.53	0.85	NA	NA
[3-(2-PHENOXYETHOXY)PHENYL]AMINE	ME770532	1.53	0.85	NA	NA
4-(4-AMINOPHENYL)MORPHOLIN-3-ONE	ME769713	1.53	0.85	NA	NA
N-(2-HYDROXYETHYL)ISONICOTINAMIDE	ME769979	1.53	0.83	NA	NA
12-HYDROXYJASMONIC ACID	ME770063	1.53	0.83	NA	NA
6-{(1S,5S)-4-OXO-5-[(2Z)-PENT-2-EN-1-YL]CYCLOPENT-2-EN-1-YL}HEXANOIC ACID	ME770122	1.53	0.83	NA	NA
N-[2-(2-CARBAMOYLPYRROLIDINO)-1-(1H-IMIDAZOL-5-YLMETHYL)-2-KETO-ETHYL]-5-KETO-PYRROLIDINE-2-CARBOXAMIDE	ME770901	1.54	0.83	NA	NA
L-THREONYL-L-PROLINE	ME770780	1.54	0.83	NA	NA
L-PROLYL-L-THREONINE	ME769389	1.54	0.83	NA	NA
L-LYSYL-L-ISOLEUCINE	ME770563	1.54	0.83	NA	NA
5-(4-ACETOXY-3-HYDROXY-2,5,5,8A-TETRAMETHYL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL)-3-METHYL-VALERIC ACID	ME770305	1.54	0.83	NA	NA
2-(3-PYRIDYL)-1-AZABICYCLO[3.2.2]NONANE	ME770256	1.54	0.83	NA	NA
(3R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-TETRAMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,17-DIOL	ME770473	1.54	0.83	NA	NA
L-ALANYL-L-METHIONINE	ME769313	1.53	0.82	NA	NA
2-AMINO-3-(1H-INDOL-3-YL)PROPIONIC ACID METHYL ESTER	ME769586	1.54	0.82	NA	NA
(7S,9R)-9-METHYL-14-METHYLENE-5,5-DIMETHYLOL-TETRACYCLO[11.2.1.01,10.04,9]HEXADECAN-7-OL	ME769726	1.54	0.82	NA	NA
DIPHENYL(4-PIPERIDINYL)METHANOL	ME770450	1.55	0.83	NA	NA
N-ACETYLNEURAMINATE	ME770106	1.55	0.82	NA	NA
5ALPHA-PREGN-2-EN-20-ONE	ME769885	1.55	0.82	NA	NA
(2-AMINOETHOXY)[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID	ME770054	1.55	0.82	NA	NA
(1R,4AR,4BS,6AS,9R,10R,10AS)-1-(CARBOXYMETHYL)-2-(1-CARBOXY-1-METHYL-ETHYL)-10-HYDROXY-1,4A,4B,9,10-PENTAMETHYL-3,4,5,6,7,8,9,10A,12,12A-DECAHYDRO-2H-CHRYSENE-6A-CARBOXYLIC ACID	ME770504	1.55	0.82	NA	NA
2-(2-CHLOROPHENYL)-2-(6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDIN-5-YL)ACETIC ACID METHYL ESTER	ME770578	1.55	0.82	NA	NA
N-[4-[2-[2-(4-ACETAMIDOPHENOXY)ETHOXY]ETHOXY]PHENYL]ACETAMIDE	ME769548	1.55	0.81	NA	NA
PYRIDOXAMINE	ME768918	1.55	0.81	NA	NA
16A-HYDROXYDEHYDROISOANDROSTERONE	ME769968	1.48	0.80	NA	NA
2-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTYL]ACETIC ACID	ME768968	1.49	0.80	NA	NA
5-AMINOOXINDOLE	ME770654	1.50	0.82	NA	NA
N-[(2S,3R,4R,5S,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ETHANIMIDIC ACID	ME769866	1.51	0.83	NA	NA
1-(3,7-DIHYDROXYPHENOXAZIN-10-YL)ETHANONE	ME769894	1.55	0.80	NA	NA
2-PHENYLACETIC ACID [(1^R,2R,3^Z,5^R,7^S,11^S,12^R,13^S,14^S)-1^,11^-DIACETOXY-2^-KETO-3^,6^,6^,14^-TETRAMETHYL-SPIRO[OXIRANE-2,10^-TRICYCLO[10.3.0.05,7]PENTADEC-3-ENE]-13^-YL] ESTER	ME770075	1.55	0.79	NA	NA
1-(4-METHOXYPHENYL)PIPERAZINE	ME769745	1.56	0.78	NA	NA
4-DECYLPYRIDINE	ME770382	1.56	0.79	NA	NA
BIS(4-PYRIDYLMETHYL)AMINE	ME769047	1.56	0.79	NA	NA
TRIGONELLINE	ME768957	1.56	0.81	NA	NA
L-SERYL-L-PROLINE	ME770871	1.56	0.81	NA	NA
L-LEUCYL-L-PROLINE	ME770226	1.56	0.81	NA	NA
5-(TRIMETHYLAMMONIO)VALERATE	ME770520	1.56	0.81	NA	NA
(2R)-2-ACETAMIDOHEXANOIC ACID	ME770639	1.56	0.81	NA	NA
(1S,2R,4AS,6AR,6AS,6BR,8AR,10S,12AR,14BS)-10-HYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDRO-1H-PICENE-4A-CARBOXYLIC ACID METHYL ESTER	ME770364	1.56	0.81	NA	NA
(1S,2R,9S,10R,13R,14S,17S,18S)-2,17,18-TRIMETHYL-6,7-DIAZAPENTACYCLO[11.7.0.02,10.04,8.014,18]EICOSA-4(8),5-DIENE-9,17-DIOL	ME769826	1.56	0.81	NA	NA
L-THREONYL-L-THREONINE	ME769254	1.57	0.81	NA	NA
L-HISTIDYL-L-PHENYLALANINE	ME770899	1.57	0.81	NA	NA
DIPHENYLMETHANOL	ME769953	1.57	0.81	NA	NA
DIPHENHYDRAMINE	ME768970	1.57	0.81	NA	NA
BENZHYDRYLAMINE	ME769711	1.57	0.81	NA	NA
(2-PHENYLPHENYL)METHANAMINE	ME770381	1.57	0.81	NA	NA
(5BETA,11BETA)-11,21-DIHYDROXYPREGNANE-3,20-DIONE	ME769204	1.57	0.81	NA	NA
L-PROLYL-L-GLUTAMINE	ME770810	1.56	0.80	NA	NA
2-FORMAMIDO-3-(1H-INDOL-3-YL)PROPIONIC ACID	ME770032	1.57	0.79	NA	NA
4-KETO-4-[3-METHYL-5-(5,6,7-TRIHYDROXY-1,2,4A,5-TETRAMETHYL-DECALIN-1-YL)PENTOXY]BUTYRIC ACID	ME770550	1.57	0.79	NA	NA
PC O-32:1	ME769670	1.57	0.80	NA	NA
LOSARTAN	ME769906	1.57	0.80	NA	NA
DIALLYLCYANAMIDE	ME770455	1.57	0.80	NA	NA
(2R)-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]PENTANEDIOIC ACID	ME770169	1.57	0.80	NA	NA
APHIDICOLIN	ME769803	1.57	0.80	NA	NA
2-(2-KETOINDOLIN-3-YL)ACETIC ACID [(2R,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[2-(4-HYDROXYPHENYL)ETHOXY]TETRAHYDROPYRAN-2-YL]METHYL ESTER	ME770401	1.59	0.79	NA	NA
L-PROLYL-L-PHENYLALANINE	ME770632	1.58	0.79	NA	NA
8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UNDEC-6-ENE-6-CARBOXYLIC ACID	ME769454	1.58	0.79	NA	NA
(5S,8S,9S,10S,11S,13S,14S,17R)-17-GLYCOLOYL-11,17-DIHYDROXY-10,13-DIMETHYL-2,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE	ME768983	1.58	0.79	NA	NA
2-[(2,4-DIMETHYLTHIOPHEN-3-YL)(1-METHOXYPROPAN-2-YL)AMINO]-2-OXOETHANESULFONIC ACID	ME770395	1.58	0.79	NA	NA
3-(4-HYDROXYANILINO)-5,5-DIMETHYL-CYCLOHEX-2-EN-1-ONE	ME770402	1.58	0.79	NA	NA
7-(N^-CYCLOPENTYLIDENEHYDRAZINO)-7-KETO-ENANTHIC ACID	ME769210	1.61	0.77	NA	NA
QUINOLIN-4-OL	ME768929	1.60	0.77	NA	NA
4-METHOXYISOCARBOSTYRIL	ME769497	1.60	0.77	NA	NA
(2-{[(2R)-2-HYDROXY-3-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770879	1.60	0.77	NA	NA
1-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	ME770822	1.60	0.77	NA	NA
1-METHYL-3-NICOTINOYL-2-PIPERIDONE	ME769882	1.60	0.77	NA	NA
L-THREONYL-L-ALANINE	ME770859	1.59	0.78	NA	NA
ETHYL (9Z)-OCTADEC-9-ENOATE	ME769682	1.59	0.78	NA	NA
2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE	ME769746	1.59	0.78	NA	NA
2-METHYL-5-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	ME770116	1.59	0.78	NA	NA
L-HISTIDYL-L-PROLINE	ME770689	1.60	0.78	NA	NA
N-OLEOYL PHENYLALANINE	ME770842	1.60	0.78	NA	NA
3-(5,6-DIHYDROXYHEPTYL)-4-METHYL-2H-FURAN-5-ONE	ME769435	1.53	0.78	NA	NA
1-METHYLPYRROLE-2-CARBOXYLIC ACID METHYL ESTER	ME769027	1.52	0.77	NA	NA
(E)-5-(2,3-DIMETHYL-3-TRICYCLO[2.2.1.02,6]HEPTANYL)-2-METHYL-PENT-2-ENOIC ACID	ME769823	1.53	0.77	NA	NA
1,4,7-TRIAZONANE	ME770629	1.58	0.74	NA	NA
4-METHYL-1H-BENZIMIDAZOLE	ME769933	1.55	0.74	NA	NA
TRIS(2-BUTOXYETHYL) PHOSPHATE	ME770281	1.56	0.76	NA	NA
CROTETAMIDE	ME770693	1.66	0.65	NA	NA
VAL GLY VAL	ME770350	1.64	0.66	NA	NA
2-CHLORO-N,N-DIMETHYL-NICOTINAMIDE	ME770779	1.65	0.67	NA	NA
2-PYRROLIDINO-1-(2-THIENYL)BUTAN-1-ONE	ME769791	1.66	0.67	NA	NA
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME770817	1.65	0.73	NA	NA
L-PROLYL-L-TYROSINE	ME769837	1.65	0.72	NA	NA
GLY-PRO	ME770680	1.65	0.72	NA	NA
(E,2S)-2-AMINOHEPTADEC-4-ENE-1,3-DIOL	ME769994	1.65	0.72	NA	NA
BUCHARAINE	ME769880	1.65	0.72	NA	NA
3-PIPERIDYL(PYRROLIDINO)METHANONE	ME769019	1.65	0.72	NA	NA
(3AS,5AS,9BR)-5A,9-DIMETHYL-3-METHYLENE-3A,4,6,7,8,9B-HEXAHYDROBENZO[G]BENZOFURAN-2,5-QUINONE	ME769194	1.65	0.72	NA	NA
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ACID	ME770361	1.65	0.72	NA	NA
1-(1,3-BENZODIOXOL-4-YL)-2-(METHYLAMINO)PROPAN-1-ONE	ME769989	1.65	0.72	NA	NA
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID	ME770417	1.65	0.72	NA	NA
2-[1-(AMINOMETHYL)CYCLOPENTYL]ACETIC ACID	ME770705	1.64	0.72	NA	NA
5-PHENYL-1,2-OXAZOL-3-OL	ME768998	1.64	0.72	NA	NA
ARGININE	ME768921	1.65	0.70	NA	NA
2,5,7,8-TETRAMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA-3,7,11-TRIENYL]CHROMAN-6-OL	ME770062	1.66	0.72	NA	NA
[2-(2H-TETRAZOL-5-YL)PHENYL]AMINE	ME769381	1.65	0.71	NA	NA
TRAZODONE	ME769890	1.66	0.71	NA	NA
ANSERINE	ME768916	1.66	0.71	NA	NA
6-AMINO-7H-PURIN-8-OL	ME770011	1.66	0.71	NA	NA
[4-[4-(4-METHYLPIPERAZINO)PIPERIDINO]PHENYL]AMINE	ME769749	1.66	0.71	NA	NA
1-(1H-INDOL-4-YLOXY)-3-[(PROPAN-2-YL)AMINO]PROPAN-2-OL	ME770659	1.66	0.71	NA	NA
(3S,5Z)-5-[(2Z)-2-[(7AR)-7A-METHYL-1-(6-METHYL-6-OXIDANYL-HEPTAN-2-YL)-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL	ME769358	1.66	0.71	NA	NA
8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-OL	ME770537	1.67	0.71	NA	NA
(2R)-5-AZANYL-2-[[(2S)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]-5-OXIDANYLIDENE-PENTANOIC ACID	ME770908	1.67	0.71	NA	NA
[3-HYDROXY-2-[(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOYL]OXYPROPYL] (6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOATE	ME769563	1.67	0.71	NA	NA
2-{1-[(1-{3-[(E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL]PHENYL}-3-[2-(2-HYDROXYPROPAN-2-YL)PHENYL]PROPANESULFINYL)METHYL]CYCLOPROPYL}ACETIC ACID	ME770773	1.68	0.70	NA	NA
(5Z,8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-5,8,11-TRIENOIC ACID METHYL ESTER	ME769739	1.68	0.70	NA	NA
TG O-20:4_20:2_20:2	ME769261	1.67	0.70	NA	NA
N-AMIDINO-L-GLUTAMATE	ME770017	1.67	0.70	NA	NA
(5Z,8Z,11Z,14Z,16S)-16-HYDROXYICOSA-5,8,11,14-TETRAENOIC ACID	ME769526	1.67	0.70	NA	NA
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-PHENYL-PROPANOIC ACID	ME770264	1.67	0.70	NA	NA
3,4-DIMETHOXYPHENOL	ME770095	1.67	0.70	NA	NA
N-[2-(2-CARBAMOYLPYRROLIDINO)-2-KETO-1-[(3-METHYLIMIDAZOL-4-YL)METHYL]ETHYL]-5-KETO-PYRROLIDINE-2-CARBOXAMIDE	ME769375	1.68	0.68	NA	NA
(Z)-5,8,11-TRIHYDROXYOCTADEC-9-ENOIC ACID	ME769296	1.68	0.69	NA	NA
PI-CER 36:0;3O	ME769115	1.68	0.69	NA	NA
L-VALYL-L-VALINE	ME769622	1.68	0.69	NA	NA
(E)-3-PHENYL-1-PIPERIDINO-PROP-2-EN-1-ONE	ME769615	1.68	0.69	NA	NA
3-[18-(3-KETO-3-METHOXY-PROPYL)-3,7,12,17-TETRAMETHYL-8,13-DIVINYL-22,23-DIHYDROPORPHIN-2-YL]PROPIONIC ACID METHYL ESTER	ME769667	1.68	0.69	NA	NA
(1R,2R,4AS,6AS,6BR,10R,11S,12R,12AR)-1,10,11,12-TETRAHYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	ME770864	1.68	0.69	NA	NA
2-(4-PYRIDYL)ACETIC ACID	ME770750	1.68	0.69	NA	NA
OLEIC ACID	ME770460	1.70	0.68	NA	NA
SENKIRKINE	ME769440	1.69	0.68	NA	NA
L-TRYPTOPHYL-L-GLUTAMIC ACID	ME769914	1.69	0.68	NA	NA
DIOSGENIN	ME768955	1.69	0.68	NA	NA
5-HYDROXY-5,9-DIMETHYL-TETRACYCLO[11.2.1.01,10.04,9]HEXADECANE-14-CARBOXYLIC ACID	ME770028	1.69	0.68	NA	NA
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLIDENE)AMINO]-2-OXONONANOIC ACID	ME769583	1.69	0.68	NA	NA
(3S,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-17-[(1S)-1-OXIDANYLETHYL]-1,2,3,4,7,8,9,11,12,14,15,16-DODECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,17-DIOL	ME770308	1.69	0.68	NA	NA
3-(1-NAPHTHYL)-2-THIOXO-4-IMIDAZOLIDINONE	ME769600	1.69	0.68	NA	NA
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-ONE	ME770787	1.69	0.68	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME769070	1.69	0.68	NA	NA
N,N-DIPROPYLTHIOCARBAMIC ACID S-PROPYL ESTER	ME770738	1.69	0.69	NA	NA
LPC(14:0)	ME770867	1.69	0.69	NA	NA
3-SUCCINIMIDOBENZOIC ACID	ME769076	1.69	0.69	NA	NA
2-METHYL-3-PROPYLPYRAZINE	ME770296	1.69	0.69	NA	NA
3-(2,3-DIKETOINDOLIN-1-YL)PROPIONIC ACID	ME768977	1.69	0.69	NA	NA
1-[(2-{4-[BROMO(DIFLUORO)METHOXY]PHENYL}-2-METHYLPROPOXY)METHYL]-3-PHENOXYBENZENE	ME770877	1.62	0.76	NA	NA
L-PROLYL-L-VALINE	ME769050	1.61	0.76	NA	NA
GLY PRO ALA	ME769345	1.61	0.76	NA	NA
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-DIMETHYLPHENOXY)ACETAMIDO]-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL]-3-METHYL-2-(2-OXO-1,3-DIAZINAN-1-YL)BUTANAMIDE	ME769605	1.61	0.76	NA	NA
(2S)-2-{[(2S)-2-AZANIUMYL-3-PHENYLPROPANOYL]AMINO}PROPANOATE	ME769716	1.61	0.76	NA	NA
1-HEXADECANOYL-RAC-GLYCEROL	ME769952	1.61	0.76	NA	NA
2,3,5-TRIMETHYLPYRAZINE	ME770612	1.61	0.76	NA	NA
2,3-DIETHYLPYRAZINE	ME768889	1.61	0.74	NA	NA
REBOXETINE	ME769153	1.61	0.74	NA	NA
(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID	ME770916	1.60	0.74	NA	NA
(1R,6S)-4,4,7,7-TETRAMETHYL-3-OXABICYCLO[4.1.0]HEPTAN-2-ONE	ME770294	1.60	0.75	NA	NA
(2S,4R)-N-[(1S,2S)-2-CHLORO-1-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(METHYLTHIO)TETRAHYDROPYRAN-2-YL]PROPYL]-1-METHYL-4-PROPYL-PYRROLIDINE-2-CARBOXAMIDE	ME769589	1.60	0.75	NA	NA
1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE	ME769814	1.64	0.74	NA	NA
(25S)-3-OXOCHOLEST-7-EN-26-OIC ACID	ME770104	1.64	0.74	NA	NA
2-(2,4-DICHLORO-3-METHYL-PHENOXY)-N-PHENYL-PROPIONAMIDE	ME770503	1.64	0.73	NA	NA
2-{[(2E)-2-(CYANOMETHYLIDENE)-3-HYDROXY-4,5-DIMETHOXYCYCLOHEXYL]OXY}-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOATE	ME769392	1.64	0.73	NA	NA
L-TRYPTOPHYL-L-ASPARTIC ACID	ME769884	1.62	0.75	NA	NA
L-ISOLEUCYL-L-GLUTAMINE	ME769190	1.62	0.75	NA	NA
7ALPHA,24S-DIHYDROXY-4-CHOLESTEN-3-ONE	ME769645	1.62	0.75	NA	NA
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID	ME769599	1.62	0.75	NA	NA
2-HYDROXYFLUORENE	ME770937	1.62	0.75	NA	NA
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME770821	1.62	0.75	NA	NA
(1R,5R,9R,13R)-1,5,9-TRIMETHYL-11,14,15,16-TETRAOXATETRACYCLO[10.3.1.04,13.08,13]HEXADECAN-10-ONE	ME769099	1.62	0.75	NA	NA
(2-AMINO-4-NITRO-PHENYL)-METHYL-AMINE	ME769731	1.62	0.75	NA	NA
2-SULFANYLBENZOIC ACID	ME769780	1.63	0.75	NA	NA
6-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)BENZO[B][1,4]BENZOTHIAZEPINE	ME769709	1.63	0.75	NA	NA
TRYPTAMINE	ME769029	1.63	0.74	NA	NA
L-SERYL-L-VALINE	ME770622	1.63	0.74	NA	NA
1A,1B-DIHOMO-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENOIC ACID	ME770427	1.63	0.74	NA	NA
2-PIPERAZINONICOTINAMIDE	ME770060	1.63	0.74	NA	NA
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME769888	1.62	0.74	NA	NA
GAMMA-AMINOBUTYRIC ACID	ME768867	1.62	0.74	NA	NA
2-(5-METHYLPYRAZOL-1-YL)PROPIONIC ACID	ME769155	1.63	0.73	NA	NA
3,6,9,12,15-PENTAOXATRICOSAN-1-OL	ME769720	1.62	0.73	NA	NA
2-OCT-7-ENYLGLUTARIC ACID	ME770221	1.60	0.70	NA	NA
5-METHOXY-2-METHYL-1H-INDOLE	ME770861	1.57	0.69	NA	NA
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE	ME770344	1.53	0.63	NA	NA
[1-(5-METHYLHEXYL)INDOL-3-YL]-(2,2,3,3-TETRAMETHYLCYCLOPROPYL)METHANONE	ME769551	1.58	0.60	NA	NA
5-AMINOPENTAN-1-OL	ME769668	1.63	0.61	NA	NA
N-[2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-(2-PYRIDINYL)CYCLOHEXANECARBOXAMIDE	ME770068	1.61	0.65	NA	NA
2-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER	ME770860	1.13	0.84	NA	NA
(1-PROPYL-3-PIPERIDYL)AMINE	ME769272	1.17	0.97	NA	NA
DIMETHYL-[2-[METHYL(4-PIPERIDYL)AMINO]ETHYL]AMINE	ME769841	1.20	0.97	NA	NA
PIBERALINE	ME770825	1.21	0.98	NA	NA
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE	ME770938	1.10	0.95	NA	NA
GLYCYLGLYCYL-L-PHENYLALANINE	ME769578	1.12	0.97	NA	NA
1-(CYCLOHEXYLMETHYL)PROLINE	ME770903	1.07	1.01	NA	NA
2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID	ME770887	1.11	1.01	NA	NA
1-PIPERIDIN-4-YLPIPERIDIN-3-OL	ME769800	1.38	0.95	NA	NA
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-OXIDANYLPROPOXY)PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPOXY]PROPAN-1-OL	ME769704	1.38	0.97	NA	NA
(2S)-2,6-DIAMINO-N-[(2S)-1-PHENYLPROPAN-2-YL]HEXANAMIDE	ME770855	1.38	0.98	NA	NA
3-[[(2S)-AZETIDIN-2-YL]METHOXY]PYRIDINE	ME770320	1.38	0.98	NA	NA
HEXAETHYLENE GLYCOL	ME769481	1.39	0.99	NA	NA
LANOSTEROL	ME769148	1.39	0.99	NA	NA
(8BETA,9BETA)-6,8-DIMETHYL-2-(2-METHYLBUT-3-EN-2-YL)ERGOLIN-9-YL ACETATE	ME769856	1.39	0.98	NA	NA
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-3-(4-METHOXYPHENYL)CHROMONE	ME770759	1.39	0.98	NA	NA
4-QUINOXALIN-2-YLBUTANE-1,2,3-TRIOL	ME770664	1.39	0.98	NA	NA
4-GUANIDINOBUTANOIC ACID	ME770123	1.39	0.98	NA	NA
(3AS,4R,6AR)-2,3,3A,4,5,6A-HEXAHYDROFURO[2,3-B]FURAN-4-OL	ME769997	1.39	0.98	NA	NA
(2S,4S,5S,6R)-6-METHYLTETRAHYDROPYRAN-2,4,5-TRIOL	ME769283	1.39	0.98	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME769922	1.39	0.98	NA	NA
1H-INDOL-2-AMINE	ME769480	1.39	0.98	NA	NA
11-HYDROXY-UNDECANOIC ACID	ME769616	1.39	0.98	NA	NA
1,2-DI-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE	ME769847	1.39	0.98	NA	NA
PE O-16:1_2:0	ME770886	1.40	0.98	NA	NA
2-(4B,8,8,10A-TETRAMETHYL-2-METHYLENE-1,3,4,4A,5,6,7,8A,9,10-DECAHYDROPHENANTHREN-1-YL)ACETIC ACID	ME769585	1.40	0.98	NA	NA
(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOIC ACID METHYL ESTER	ME769830	1.40	0.98	NA	NA
3,5-DIMETHYL 2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE	ME770166	1.42	0.96	NA	NA
PROPAN-2-YL (Z)-7-[(1R,2R,3R)-3-OXIDANYL-5-OXIDANYLIDENE-2-[(E,3S)-3-OXIDANYLOCT-1-ENYL]CYCLOPENTYL]HEPT-5-ENOATE	ME769804	1.42	0.96	NA	NA
ETHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME769300	1.41	0.96	NA	NA
3-(3-CARBOXYPROPANOYLAMINO)-4-METHYL-BENZOIC ACID	ME769962	1.41	0.96	NA	NA
(2S)-1-[(2S)-2-AMINO-4-CARBOXYBUTANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	ME770363	1.41	0.96	NA	NA
2-(ACETYLAMMONIO)-4-METHYL-VALERATE	ME770292	1.41	0.96	NA	NA
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID	ME770950	1.41	0.96	NA	NA
2-[[4-(3-METHOXYPROPOXY)-3-METHYL-1-OXIDOPYRIDIN-1-IUM-2-YL]METHYLSULFONYL]-1H-BENZIMIDAZOLE	ME769332	1.41	0.96	NA	NA
2-AMINO-3-HYDROXY-3-(4-METHOXYPHENYL)PROPIONIC ACID	ME770915	1.41	0.95	NA	NA
5-[(2,4-DIFLUOROPHENOXY)METHYL]FURFURAL	ME768982	1.41	0.95	NA	NA
TERFENADINE	ME769382	1.41	0.97	NA	NA
DGDG O-22:6_2:0	ME769222	1.41	0.97	NA	NA
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID	ME769367	1.41	0.97	NA	NA
DEOXYGUANOSINE	ME768964	1.41	0.97	NA	NA
(3S,6S,9S,15S,18S)-3,9-DIISOBUTYL-6-ISOPROPYL-15-METHYLOL-1,4,7,10,13,16-HEXAZABICYCLO[16.3.0]HENEICOSANE-2,5,8,11,14,17-TRIQUINONE	ME769001	1.40	0.96	NA	NA
N-METHYLTYRAMINE	ME768860	1.40	0.97	NA	NA
6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID	ME769353	1.40	0.97	NA	NA
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-VALERIC ACID	ME769982	1.40	0.97	NA	NA
4-ACETOXY-8-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTEN-1-YL]CAPRYLIC ACID	ME769980	1.40	0.97	NA	NA
(2S)-2,6-DIAMINO-5-[(3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANOIC ACID	ME769868	1.40	0.97	NA	NA
2-HYDROXY-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-HYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]ETHANONE	ME769216	1.40	0.97	NA	NA
1-(4-PYRIDYL)PIPERAZINE	ME769853	1.40	0.97	NA	NA
2-[1-[[2-(METHYLAMINO)PYRIMIDIN-5-YL]METHYL]-3-PIPERIDYL]-6-(2-THIENYL)-1H-PYRIMIDIN-4-ONE	ME770468	1.40	0.97	NA	NA
2-HYDROXY-2-ISOPROPYL-3-METHOXY-BUTYRIC ACID (7-HYDROXY-4-OXIDO-5,6,7,8-TETRAHYDRO-3H-PYRROLIZIN-4-IUM-1-YL)METHYL ESTER	ME769971	1.39	0.97	NA	NA
(4-AZANYLPIPERIDIN-1-YL)-CYCLOPROPYL-METHANONE	ME769339	1.39	0.97	NA	NA
N-(2-FLURO-ETHYL)-2-METHYL-5Z,8Z,11Z,14Z-EICOSATETRAENOYL AMINE	ME769432	1.43	0.94	NA	NA
ALFAXALONE	ME769264	1.43	0.94	NA	NA
4-NITRO-N-(1-PHENYLETHYL)BENZAMIDE	ME770747	1.43	0.94	NA	NA
5-(5-HYDROXY-3-METHYLOL-PENTYL)-5,6-DIMETHYL-8A-METHYLOL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	ME770219	1.43	0.94	NA	NA
PC O-18:1	ME770952	1.43	0.95	NA	NA
N-[6,6-DIMETHYL-5-(1-METHYLPIPERIDINE-4-CARBONYL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-3-YL]-3-METHYLBUTANIMIDIC ACID	ME769452	1.43	0.95	NA	NA
KYNURENIC ACID	ME769401	1.43	0.95	NA	NA
9-METHOXY-2,2-DIMETHYL-6H-PYRANO[3,2-C]QUINOLIN-5-ONE	ME770634	1.43	0.95	NA	NA
5-(4-FLUOROPHENYL)-1-[2-[(2R,4R)-4-HYDROXY-6-OXOOXAN-2-YL]ETHYL]-N-(2-HYDROXYPHENYL)-4-PHENYL-2-PROPAN-2-YLPYRROLE-3-CARBOXAMIDE	ME769730	1.43	0.95	NA	NA
(13Z)-ICOS-13-ENOIC ACID	ME770174	1.43	0.95	NA	NA
(1S,8S,13R)-2-OXA-9-AZATETRACYCLO[6.5.1.01,5.09,13]TETRADECA-4,6-DIEN-3-ONE	ME769779	1.43	0.95	NA	NA
5Z,8Z,11Z,14Z-EICOSATETRAENEDIOIC ACID	ME769080	1.42	0.95	NA	NA
(3BETA,12BETA)-12,20-DIHYDROXYDAMMAR-24-EN-3-YL 2-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE	ME770802	1.42	0.95	NA	NA
(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16-DIHYDROXY-18-KETO-9,11,13,15-TETRAMETHYL-1-OXACYCLOOCTADECA-4,6-DIEN-2-YL]CYCLOPENTANECARBOXYLIC ACID	ME769838	1.42	0.95	NA	NA
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(11Z)-ICOS-11-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME769522	1.42	0.95	NA	NA
2-[(4-CHLOROPHENOXY)METHYL]-6-METHYL-1H-BENZIMIDAZOLE	ME769145	1.41	0.94	NA	NA
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID	ME770865	1.42	0.94	NA	NA
4-METHYL-6,7,8,9-TETRAHYDROPYRANO[3,2-G]QUINOLIN-2-ONE	ME769925	1.42	0.93	NA	NA
MG(20:4)	ME769998	1.44	0.93	NA	NA
L-PHENYLALANYL-L-SERINE	ME770794	1.44	0.93	NA	NA
L-HISTIDYL-L-ISOLEUCINE	ME769471	1.44	0.93	NA	NA
[6-(2-FURYL)-3-PYRIDYL]METHYLAMINE	ME770247	1.44	0.93	NA	NA
6-[2-(3-HYDROXY-2,2,5A-TRIMETHYL-7-METHYLENE-4,5,6,8,9,9A-HEXAHYDRO-3H-BENZO[B]OXEPIN-6-YL)ETHYL]-2,2,5A,7-TETRAMETHYL-4,5,7,8,9,9A-HEXAHYDRO-3H-BENZO[B]OXEPIN-3,4,6-TRIOL	ME769405	1.44	0.93	NA	NA
1,7-BIS(4-HYDROXYPHENYL)HEPTAN-3-ONE	ME770781	1.44	0.93	NA	NA
5-[(2S,4R)-4-HYDROXY-5-KETO-1-METHYL-PYRROLIDIN-2-YL]NICOTINIC ACID	ME769015	1.44	0.93	NA	NA
2-[4-[4-(4-BENZHYDRYLOXYPIPERIDIN-1-IUM-1-YL)BUTANOYL]PHENYL]-2-METHYL-PROPIONATE	ME770307	1.44	0.94	NA	NA
3-CYCLOHEXYL-1-O-PHENETYL-ISOTHIOUREA	ME769206	1.44	0.94	NA	NA
N8-ACETYLSPERMIDINE	ME769305	1.45	0.93	NA	NA
2-(1,3-BENZOXAZOL-2-YLTHIO)ACETIC ACID	ME769771	1.45	0.93	NA	NA
2-(1-ISOPROPYLINDOL-3-YL)ETHYLAMINE	ME769034	1.45	0.93	NA	NA
THIOBENZOIC ACID S-[(Z)-2-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL-FORMYL-AMINO]-1-(2-PHOSPHONOOXYETHYL)PROP-1-ENYL] ESTER	ME769129	1.45	0.92	NA	NA
N-[2-(1H-INDOL-3-YL)ETHYL]-N-(PROPAN-2-YL)PROPAN-2-AMINE	ME770464	1.45	0.92	NA	NA
HEXCER 18:0;3O/16:0;(2OH)	ME770376	1.45	0.92	NA	NA
HEXADEC-15-YNOIC ACID	ME769911	1.45	0.92	NA	NA
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ACID	ME769278	1.45	0.92	NA	NA
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]VALERIC ACID METHYL ESTER	ME770438	1.45	0.92	NA	NA
3-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER	ME770776	1.45	0.92	NA	NA
(2S,3S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-3-METHYLPENTANOIC ACID	ME770816	1.45	0.92	NA	NA
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770097	1.45	0.92	NA	NA
1-PENTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770761	1.45	0.92	NA	NA
12(13)-EPOME	ME769157	1.45	0.92	NA	NA
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL	ME770500	1.45	0.92	NA	NA
(E)-4-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-2-ONE	ME769286	1.44	0.92	NA	NA
1-ACETYL-D-PROLINE	ME769360	1.44	0.92	NA	NA
4-ISOPROPYL-N-(4-MORPHOLINOPHENYL)BENZAMIDE	ME769923	1.44	0.92	NA	NA
5-AMMONIOCYCLOHEXA-1,3-DIENE-1-CARBOXYLATE	ME770665	1.43	0.90	NA	NA
(1-TETRAHYDROPYRAN-4-YL-4-PIPERIDYL)AMINE	ME769077	1.45	0.90	NA	NA
2-AMINO-1-CYANO-5,6,7,8-TETRAHYDROINDOLIZINE-3-CARBOXYLIC ACID ETHYL ESTER	ME770509	1.44	0.90	NA	NA
4-KETOPIMELIC ACID	ME770139	1.44	0.91	NA	NA
BENZOIC ACID (1-LAMBDA1-OXIDANYL-2,2,6,6-TETRAMETHYL-4-PIPERIDYL) ESTER	ME769719	1.45	0.91	NA	NA
(2R)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	ME770370	1.45	0.91	NA	NA
(2R,3R)-5-[(1E,3E)-HEPTA-1,3-DIENYL]-2,3-DIHYDROXY-6-METHYLOL-CYCLOHEXANONE	ME769735	1.45	0.91	NA	NA
1-PIPERIDINOPROPAN-2-OL	ME770136	1.39	0.88	NA	NA
PYRIDINE-4-CARBOXAMIDE	ME770200	1.39	0.90	NA	NA
2-METHYLPYRROLIDINE	ME770788	1.40	0.92	NA	NA
9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2,7-DIMETHYLXANTHENIUM	ME769122	1.39	0.92	NA	NA
7,8-DIMETHOXY-1,3-DIHYDRO-3-BENZAZEPIN-2-ONE	ME769196	1.42	0.92	NA	NA
GLYCYLGLYCYL-L-ALANINE	ME769158	1.41	0.91	NA	NA
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	ME768963	1.48	0.86	NA	NA
4-(2-HYDROXYPROPAN-2-YL)-1-METHYLCYCLOHEXAN-1-OL	ME769996	1.48	0.86	NA	NA
L-SERYL-L-TYROSINE	ME769702	1.51	0.85	NA	NA
(1S,5S)-6,8,9-TRIMETHYL-4-[(E)-PROP-1-ENYL]-3-OXABICYCLO[3.3.1]NON-6-ENE	ME769631	1.50	0.86	NA	NA
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHYL ESTER	ME770351	1.50	0.86	NA	NA
ETIOCHOLANEDIOL	ME769152	1.51	0.87	NA	NA
DIBENZO[B,D]IODOLIUM	ME769942	1.51	0.87	NA	NA
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME770786	1.51	0.87	NA	NA
2-CHLOROBENZHYDROL	ME770640	1.51	0.87	NA	NA
[2-HYDROXY-3-[(E)-OCTADEC-9-ENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME770912	1.51	0.87	NA	NA
PC O-32:0	ME769053	1.51	0.86	NA	NA
L-SERYL-L-LEUCINE	ME770718	1.51	0.86	NA	NA
L-ALANYL-L-TRYPTOPHAN	ME770284	1.51	0.86	NA	NA
5-[[1-(2-AMINOCARBONYLPYRROLIDIN-1-YL)-3-(1H-IMIDAZOL-5-YL)-1-OXIDANYLIDENE-PROPAN-2-YL]AMINO]-4-AZANYL-5-OXIDANYLIDENE-PENTANOIC ACID	ME769160	1.51	0.86	NA	NA
(4E,6E)-3-(4-FORMYLANILINO)-8-HYDROXY-OCTA-4,6-DIENOIC ACID	ME770552	1.51	0.86	NA	NA
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4AR,6AR,6BS,8R,8AS,14AR,14BS)-8-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-4,8A-DIMETHYLOL-1,2,3,4A,5,6,7,8,9,10,12,14A-DODECAHYDROPICEN-3-YL]OXY]-3,5-DIHYDROXY-6-METHYL-TETRAHYDROPYRAN-4-YL]OXY-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME770276	1.51	0.86	NA	NA
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME769084	1.51	0.86	NA	NA
1-(4-ETHYLPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID	ME770544	1.51	0.86	NA	NA
14-HYDROXY-5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11.2.1.01,10.04,9]HEXADECANE-5-CARBOXYLIC ACID	ME769744	1.51	0.86	NA	NA
(1,5-DIMETHYLPYRAZOL-3-YL)METHYLAMINE	ME769532	1.52	0.86	NA	NA
2-(2-THIENYL)-1H-PHENANTHR[9,10-D]IMIDAZOLE	ME769891	1.52	0.86	NA	NA
7-AMINOENANTHIC ACID	ME770303	1.49	0.88	NA	NA
4-(4-PROPAN-2-YL-1-PIPERAZINYL)PHENOL	ME769103	1.49	0.88	NA	NA
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	ME770153	1.49	0.88	NA	NA
1-(3-CHLOROPHENYL)-3-PHENETHYL-UREA	ME769781	1.49	0.88	NA	NA
16-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXY-3,5^-DIHYDROXY-3^,7,9,13-TETRAMETHYL-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSANE-6,6^-TETRAHYDROPYRAN]-2^-ONE	ME769133	1.49	0.88	NA	NA
THIOPERAMIDE	ME769958	1.49	0.89	NA	NA
1-(3-CHLOROPHENYL)PIPERAZINE	ME770207	1.49	0.89	NA	NA
(2R,3S,4S,5S,6R)-2-[7-HYDROXY-4-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-4A,8,8-TRIMETHYL-3-METHYLENE-DECALIN-2-YL]OXY-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME769523	1.49	0.89	NA	NA
HOMOSERINE	ME768949	1.49	0.87	NA	NA
4,9A-DIMETHYL-6,7-DIMETHYLOL-2,7,8,9-TETRAHYDRO-1H-BENZOCYCLOHEPTEN-3-ONE	ME769249	1.49	0.87	NA	NA
3-(PROPANOYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME768946	1.49	0.87	NA	NA
2-AMINO-1-(2,5-DIMETHOXYPHENYL)ETHAN-1-OL	ME770201	1.49	0.87	NA	NA
(2S,3S,4S,5R,6S)-6-[(2-CYCLOHEXYL-6-KETO-4-METHYL-1-PYRIDYL)OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770043	1.49	0.87	NA	NA
L-TYROSYL-L-ISOLEUCINE	ME769956	1.50	0.87	NA	NA
L-TRYPTOPHYL-L-ARGININE	ME769639	1.50	0.87	NA	NA
BENZAMIDE	ME768903	1.50	0.87	NA	NA
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER	ME770827	1.50	0.87	NA	NA
4-(2-METHYL-1H-IMIDAZOL-1-YL)-2,2-DIPHENYLBUTANAMIDE	ME770103	1.50	0.87	NA	NA
3ALPHA,17ALPHA-DIHYDROXY-5BETA-PREGNAN-20-ONE	ME769654	1.50	0.87	NA	NA
1-(3-BROMOPROPYL)PYRROLIDINE	ME769608	1.50	0.87	NA	NA
(1R,4AS,5R,8AS)-5-(5-HYDROXY-3-METHYL-PENTYL)-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBOXYLIC ACID	ME769810	1.50	0.87	NA	NA
L-PROLYL-L-ISOLEUCINE	ME769827	1.50	0.88	NA	NA
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770872	1.50	0.88	NA	NA
1-OCTADECYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770951	1.50	0.88	NA	NA
2-(2-KETO-1,3-BENZOTHIAZOL-3-YL)-N-PHENYL-ACETAMIDE	ME768975	1.50	0.88	NA	NA
2-(2,6-DIMETHYLPHENOXY)-N-O-CUMENYL-ACETAMIDE	ME769168	1.45	0.88	NA	NA
1-(3-ETHYLPYRAZIN-2-YL)ETHAN-1-ONE	ME769902	1.48	0.88	NA	NA
QUINOLINE-2,8-DIOL	ME770477	1.47	0.89	NA	NA
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC ACID	ME770482	1.47	0.89	NA	NA
2-PIPERIDINOPROPAN-2-OL	ME770905	1.47	0.89	NA	NA
L-ALANYL-L-LYSINE	ME769986	1.48	0.89	NA	NA
(4AS,7AS)-6-METHYL-1,2,3,4,4A,5,7,7A-OCTAHYDROPYRROLO[3,4-B]PYRIDINE	ME768984	1.48	0.89	NA	NA
4-AMINOPIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER	ME770322	1.48	0.89	NA	NA
1-[3-(ACETYLTHIO)PROPANOYL]-6-METHYL-PIPECOLINIC ACID	ME770645	1.48	0.89	NA	NA
(2S,3S,4S,5R,6R)-6-[[4-CARBOXY-8A-[(2S,3R,4S,5S,6R)-3-[(2S,3R,5S,6S)-3,5-DIHYDROXY-4-[(2S,3R,4R)-4-HYDROXY-4-METHYLOL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROFURAN-2-YL]OXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-4,5-DIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXYCARBONYL-2,9-DIHYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME770587	1.48	0.89	NA	NA
3-AMINOPIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER	ME770397	1.46	0.90	NA	NA
PC O-20:1	ME770939	1.46	0.91	NA	NA
PE 10:0_19:0	ME769476	1.48	0.90	NA	NA
L-TRYPTOPHYL-L-VALINE	ME769685	1.48	0.90	NA	NA
LPC(O-16:0)	ME770852	1.48	0.90	NA	NA
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID	ME769502	1.48	0.90	NA	NA
(2S)-2-[(3S)-3-(4-AZANYLBUTYL)-1,4-BIS(OXIDANYLIDENE)-6,7,8,8A-TETRAHYDRO-3H-PYRROLO[1,2-A]PYRAZIN-2-YL]-4-PHENYL-BUTANOIC ACID	ME769319	1.48	0.90	NA	NA
OXIRAN-2-YLMETHYL (5~{Z},8~{Z},11~{Z},14~{Z})-ICOSA-5,8,11,14-TETRAENOATE	ME768986	1.47	0.90	NA	NA
7-METHYL-2-PROPYL-3H-BENZIMIDAZOLE-5-CARBOXYLIC ACID	ME770345	1.47	0.90	NA	NA
4-[3-HEXYL-2,5-DIKETO-4-(2-KETO-2-METHOXY-ETHYL)-3-PYRROLIN-1-YL]BUTYRIC ACID	ME769863	1.47	0.90	NA	NA
(3AR,5S,5AS,8R,8AS,9AR)-8-HYDROXY-5,8A-DIMETHYL-1-METHYLENE-3A,4,5,5A,6,8,9,9A-OCTAHYDROAZULENO[6,5-B]FURAN-2,7-QUINONE	ME770047	1.47	0.90	NA	NA
3-(5-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID	ME770448	1.47	0.90	NA	NA
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME770790	1.47	0.90	NA	NA
1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2-BENZOFURAN-5-CARBONITRILE	ME770026	1.47	0.90	NA	NA
1,7-BIS(3,4-DIHYDROXYPHENYL)HEPTAN-3-ONE	ME770156	1.47	0.90	NA	NA
L-TYROSYL-L-LYSINE	ME770488	1.47	0.91	NA	NA
2-[6-[(4-HYDROXY-3-METHYL-BUT-2-ENYL)AMINO]PURIN-9-YL]-5-METHYLOL-TETRAHYDROFURAN-3,4-DIOL	ME770580	1.47	0.91	NA	NA
L-TRYPTOPHYL-L-PROLINE	ME770555	1.47	0.91	NA	NA
1-(2-CHLOROACETYL)NIPECOTAMIDE	ME769088	1.45	0.83	NA	NA
(1S,6S,8R,11R)-2,6,9-TRIMETHYL-6-METHYLOL-TRICYCLO[5.4.0.02,9]UNDECANE-8,11-DIOL	ME769843	1.44	0.84	NA	NA
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME769005	1.44	0.84	NA	NA
2-HYDROXYADENINE	ME770551	1.42	0.87	NA	NA
N-(4-PIPERIDYL)BENZAMIDE	ME769546	1.40	0.86	NA	NA
SINAPOYL ALDEHYDE	ME769159	1.34	1.00	NA	NA
4-(4-METHYLPIPERAZINO)BUTYRIC ACID ETHYL ESTER	ME769876	1.35	0.99	NA	NA
4-(ALLYLAMINO)BENZOIC ACID	ME769577	1.35	0.99	NA	NA
PE 8:0_22:0	ME770033	1.38	0.99	NA	NA
N-BENZYL-2,4,6-TRIMETHYL-BENZENESULFONAMIDE	ME769175	1.38	0.99	NA	NA
NAGLY 13:1/24:4	ME769677	1.38	0.99	NA	NA
(1R,3S,5S,7R)-5-ISOPROPENYL-2,8-DIMETHYLENE-CYCLODECANE-1,3,7-TRIOL	ME769978	1.38	0.99	NA	NA
ACETIC ACID [(1R,2S,5S,6R,9S,10S,13S)-2,6-DIHYDROXY-5,9-DIMETHYL-14-METHYLENE-5-TETRACYCLO[11.2.1.01,10.04,9]HEXADECANYL]METHYL ESTER	ME769308	1.38	0.99	NA	NA
L-TRYPTOPHYL-L-ALANINE	ME769835	1.37	0.99	NA	NA
2-DEC-9-ENYLGLUTARIC ACID	ME769118	1.37	0.99	NA	NA
2-PIPERAZINOETHYL(2-PYRIDYLMETHYL)AMINE	ME769623	1.37	0.99	NA	NA
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID	ME770277	1.36	1.00	NA	NA
(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE	ME770839	1.36	1.00	NA	NA
3-(9H-PYRIDO[3,4-B]INDOL-1-YL)PROPANOIC ACID	ME769191	1.36	1.00	NA	NA
L-PHENYLALANYL-L-ISOLEUCINE	ME769564	1.37	1.01	NA	NA
PC 9:0_22:1	ME770151	1.37	1.01	NA	NA
METHYL (8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOATE	ME769949	1.37	1.00	NA	NA
9-[(2R,3R,5S)-3-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-2-IMINO-3,9-DIHYDRO-2H-PURIN-6-OL	ME770745	1.37	1.00	NA	NA
(5Z,8Z,11Z)-EICOSA-5,8,11-TRIENOIC ACID METHYL ESTER	ME768995	1.37	1.00	NA	NA
5-(4-FLUOROPHENYL)-N-(4-HYDROXYPHENYL)-1-[2-[(2R,4R)-4-OXIDANYL-6-OXIDANYLIDENE-OXAN-2-YL]ETHYL]-4-PHENYL-2-PROPAN-2-YL-PYRROLE-3-CARBOXAMIDE	ME769588	1.37	1.00	NA	NA
4-(2-AMINO-1-HYDROXYETHYL)PHENOL	ME769950	1.37	1.00	NA	NA
2-[ETHYL-(3-METHYLPHENYL)AMINO]ETHANOL	ME770674	1.37	1.00	NA	NA
3-ADENIN-9-YLPROPANE-1,2-DIOL	ME769376	1.37	1.00	NA	NA
MEXACARBATE	ME770396	1.38	1.00	NA	NA
(2R,3R,4R,5R,6S)-2-[(4S,6R,7S,8R,9S,13R,14R,16R)-14-[(2R,3R,4S,5R,6R)-4,5-DIHYDROXY-6-METHYL-3-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-7,9,13-TRIMETHYL-5^-METHYLENE-SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROPYRAN]-16-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME769964	1.38	1.00	NA	NA
CORYNANTHINE	ME769097	1.38	1.00	NA	NA
(E,6S)-7-HYDROXY-6-[(10S,13S,14S,17S)-3-KETO-4,4,10,13,14-PENTAMETHYL-1,2,5,6,7,11,12,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]-2-METHYL-HEPT-2-ENOIC ACID	ME770029	1.36	1.02	NA	NA
3-HYDROXY-4-[(3E,5E,7E,9E,11E,13E,15E)-18-{4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPTAN-1-YL}-3,7,12,16-TETRAMETHYL-17-OXOOCTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YLIDENE]-3,5,5-TRIMETHYLCYCLOHEXYL ACETATE	ME770088	1.36	1.02	NA	NA
(1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATE	ME770282	1.36	1.02	NA	NA
1,2-DIPENTADECANOYL-SN-GLYCERO-3-PHOSPHO-(1^-SN-GLYCEROL)	ME770418	1.36	1.02	NA	NA
1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME770025	1.36	1.02	NA	NA
CADAVERINE	ME770209	1.36	1.01	NA	NA
ALPHA-TOCOPHEROL	ME769386	1.36	1.01	NA	NA
6Z,9Z,12Z,15Z,18Z-HENEICOSAPENTAENOIC ACID	ME769852	1.36	1.01	NA	NA
3-HEXADEC-15-EN-7-YNYL-4-HYDROXY-5-METHYL-TETRAHYDROFURAN-2-ONE	ME769147	1.36	1.01	NA	NA
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE	ME770710	1.36	1.01	NA	NA
RAC-2,3-DIHYDROXYPROPYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	ME769343	1.35	1.03	NA	NA
VALIDAMYCIN	ME770636	1.35	1.03	NA	NA
4-ETHOXYANILINE	ME770624	1.34	1.02	NA	NA
HELIOTRINE	ME769657	1.34	1.02	NA	NA
N-[3-(DIMETHYLAMINO)PROPYL]MYRISTAMIDE	ME769477	1.35	1.02	NA	NA
N-(2-HYDROXYHEXADECANOYL)-4R-HYDROXYSPHINGANINE	ME770015	1.35	1.02	NA	NA
N-[2-(1H-INDOL-3-YL)ETHYL]PROPIONAMIDE	ME769533	1.35	1.02	NA	NA
MG(18:2)	ME770246	1.35	1.02	NA	NA
METHYL-[4-(3-PYRIDYL)BUTYL]AMINE	ME770189	1.35	1.02	NA	NA
GLY-VAL	ME768943	1.35	1.02	NA	NA
METHIONINE	ME768883	1.35	1.02	NA	NA
METHYL (8Z,11Z)-13-[(2S,3R)-3-PENTYLOXIRAN-2-YL]TRIDECA-8,11-DIENOATE	ME769333	1.34	1.03	NA	NA
L-ASPARAGINYL-L-VALINE	ME770677	1.34	1.03	NA	NA
(12Z,15Z)-9,10,11-TRIHYDROXYOCTADECA-12,15-DIENOIC ACID	ME770663	1.34	1.03	NA	NA
1-(9Z-HEPTADECENOYL)-2-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHO-(1^-SN-GLYCEROL)	ME770105	1.34	1.03	NA	NA
2-AMINO-4-(3,4-DIMETHOXYPHENYL)-5-KETO-7,7-DIMETHYL-6,8-DIHYDRO-4H-CHROMENE-3-CARBONITRILE	ME769751	1.34	1.04	NA	NA
(2-AMINOETHOXY)[(2R)-3-[(9Z)-HEXADEC-9-ENOYLOXY]-2-HYDROXYPROPOXY]PHOSPHINIC ACID	ME769256	1.34	1.04	NA	NA
PENTYLENETETRAZOLE	ME769212	1.33	1.04	NA	NA
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAHYDROAZULENE-1,8-DIOL	ME770111	1.33	1.04	NA	NA
8-METHYL-3-OXIDANYL-8-AZONIABICYCLO[3.2.1]OCTANE-2-CARBOXYLATE	ME770756	1.33	1.04	NA	NA
2-METHYLPROPIONIC ACID [(Z)-4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL-FORMYL-AMINO]-3-[[(Z)-2-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YL)METHYL-FORMYL-AMINO]-1-(2-ISOBUTYRYLOXYETHYL)PROP-1-ENYL]DISULFANYL]PENT-3-ENYL] ESTER	ME769180	1.33	1.03	NA	NA
4-KETO-5,8-DIMETHYL-1H-QUINOLINE-3-CARBOXYLIC ACID	ME769240	1.33	1.03	NA	NA
(Z)-2-DEC-9-ENYLPENT-2-ENEDIOIC ACID	ME769334	1.31	1.03	NA	NA
O-(3-TERT-BUTYLPHENYL) (6-METHOXYPYRIDIN-2-YL)METHYLCARBAMOTHIOATE	ME770228	1.32	1.01	NA	NA
PE 19:0_13:1	ME769051	1.33	1.02	NA	NA
2-[(1E)-(HYDROXYIMINO)METHYL]-1-METHYLPYRIDIN-1-IUM	ME770637	1.29	1.06	NA	NA
2-AMINO-3-[4-(CARBOXYMETHYL)PHENYL]PROPIONIC ACID	ME770687	1.30	1.07	NA	NA
1-(2,6-DICHLORO-4-PYRIDINYL)-3-[(1,3-DIMETHYL-4-PROPAN-2-YL-6-PYRAZOLO[3,4-B]PYRIDINYL)AMINO]UREA	ME770034	1.30	1.07	NA	NA
(1-CYCLOBUTYL-4-PIPERIDYL)AMINE	ME770134	1.30	1.07	NA	NA
PRO GLY PRO	ME770513	1.30	1.08	NA	NA
(9Z,12Z)-8-HYDROXYOCTADECA-9,12-DIENOIC ACID	ME770160	1.30	1.08	NA	NA
3^,5-DIHYDROXY-4^,6,7-TRIMETHOXYFLAVONE	ME769607	1.30	1.08	NA	NA
4-[3-[2-(DIMETHYLAMINO)-2-OXOETHYL]-6-METHYL-2-IMIDAZO[1,2-A]PYRIDINYL]BENZOIC ACID	ME770559	1.30	1.08	NA	NA
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B][1,4]BENZOTHIAZEPIN-2-OL	ME770196	1.29	1.09	NA	NA
PC 17:0_16:2	ME769004	1.29	1.09	NA	NA
NORFENEFRINE	ME770692	1.28	1.08	NA	NA
2-(4-AMINOPIPERIDINO)-N-METHYL-ACETAMIDE	ME769736	1.28	1.08	NA	NA
3-[(E)-3,4-DIHYDROXY-3,5-DIMETHYL-HEPT-1-ENYL]-7,8-DIHYDROXY-7-METHYL-8,8A-DIHYDRO-1H-ISOCHROMEN-6-ONE	ME770452	1.28	1.08	NA	NA
PC 8:0_25:0	ME770020	1.29	1.08	NA	NA
OXYMETHOLONE	ME769469	1.29	1.08	NA	NA
FOSINOPRIL	ME769087	1.29	1.08	NA	NA
D-GLUTAMINE	ME768966	1.29	1.08	NA	NA
3-(5-ISOBUTYL-3,6-DIKETO-PIPERAZIN-2-YL)PROPIONIC ACID	ME770535	1.29	1.08	NA	NA
2-(4-PHENYLPIPERAZINE-1-CARBONYL)BENZOIC ACID	ME769199	1.29	1.08	NA	NA
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME770367	1.29	1.08	NA	NA
7,15-BIS(3,4-DIMETHOXYPHENYL)-19-OXA-4,18-DIAZAHEXACYCLO[10.6.1.01,9.03,7.010,15.014,18]NONADEC-8-EN-12-OL	ME769304	1.26	1.11	NA	NA
5-HYDROXYNICOTINIC ACID	ME769043	1.26	1.11	NA	NA
4-AMINO-1-METHYL-3-N-PROPYL-1H-PYRAZOLE-5-CARBOXAMIDE	ME769924	1.26	1.11	NA	NA
17ALPHA-HYDROXYPREGNENOLONE	ME769527	1.26	1.11	NA	NA
3,8A-DIMETHYL-5-METHYLENE-4A,6,7,8-TETRAHYDRO-4H-BENZO[F]BENZOFURAN-2-ONE	ME770469	1.26	1.11	NA	NA
UROCANIC ACID	ME768909	1.27	1.11	NA	NA
1,7-DIMETHYLURIC ACID	ME769802	1.27	1.11	NA	NA
(3S,8S,9S,10R,13S,14S,17S)-10,13-DIMETHYL-17-[(2S)-2-OXIDANYLHEX-5-YN-2-YL]-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	ME770072	1.27	1.11	NA	NA
PE 10:0_22:1	ME769650	1.25	1.09	NA	NA
2,3,4,6,7,8-HEXAHYDROPYRROLO[1,2-A]PYRIMIDINE	ME770082	1.26	1.09	NA	NA
ACETIC ACID [(1S,5Z,9R,10R)-7-KETO-10-METHYL-2-METHYLENE-6-METHYLOL-10-BICYCLO[7.2.0]UNDEC-5-ENYL]METHYL ESTER	ME769579	1.26	1.09	NA	NA
2-(2-KETO-4-METHYL-1-QUINOLYL)ACETIC ACID	ME770211	1.27	1.09	NA	NA
(2-AMINOETHOXY)[(2R)-2-[(9Z)-HEXADEC-9-ENOYLOXY]-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME770391	1.27	1.09	NA	NA
PYRIDOXINE	ME769687	1.28	1.09	NA	NA
L-ISOLEUCYL-L-ISOLEUCINE	ME769073	1.28	1.09	NA	NA
ERUCICOYL-EA	ME770150	1.28	1.09	NA	NA
7-METHYLURIC ACID	ME770380	1.28	1.09	NA	NA
2-(2-METHYLIMIDAZOL-1-YL)PROPAN-1-OL	ME770120	1.28	1.09	NA	NA
(6E)-HEPTADECA-6,16-DIENE-1,2,4-TRIOL	ME770309	1.28	1.09	NA	NA
7-METHYLGUANINE	ME770570	1.28	1.10	NA	NA
N-[1-(3-PIPERIDYL)AZETIDIN-3-YL]CARBAMIC ACID TERT-BUTYL ESTER	ME769356	1.27	1.10	NA	NA
(2S,3R,4S,5S)-4-AZANYL-2-[6-(DIMETHYLAMINO)PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLAN-3-OL	ME770805	1.27	1.10	NA	NA
L-ALPHA-ASPARTYL-L-ISOLEUCINE	ME769127	1.27	1.10	NA	NA
(6S)-2-METHYL-6-PYRIDIN-3-YLOXAZINANE	ME770045	1.32	1.04	NA	NA
GLYCYL-L-PHENYLALANINE 2-NAPHTHYLAMIDE	ME770911	1.32	1.04	NA	NA
1,3-DIHYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME769475	1.33	1.05	NA	NA
TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME770092	1.32	1.05	NA	NA
PGE1-EA	ME769429	1.32	1.05	NA	NA
METALAXYL-M	ME770457	1.32	1.05	NA	NA
CER 18:2;2O/16:1	ME770208	1.32	1.05	NA	NA
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	ME769102	1.32	1.05	NA	NA
1-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]-3-(NAPHTHALEN-1-YLOXY)PROPAN-2-OL	ME770600	1.32	1.05	NA	NA
1,9S,11R,15S-TETRAHYDROXY-13E-PROSTAENE	ME769927	1.32	1.05	NA	NA
N-BUTANOYL-LHOMOSERINE LACTONE	ME770849	1.31	1.05	NA	NA
ILE GLY ILE	ME769740	1.31	1.05	NA	NA
(4AR,5R,6AS,6BR,8AR,10S,12AR,14BS)-10-[(2R,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-5-HYDROXY-2,2,6A,6B,9,9,12A-HEPTAMETHYL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	ME770481	1.31	1.05	NA	NA
(4R,4AR,7AR,12BS)-9-METHOXY-2,3,4,4A,5,6,7A,13-OCTAHYDRO-1H-4,12-METHANOBENZOFURO[3,2-E]ISOQUINOLIN-7-ONE	ME770641	1.31	1.05	NA	NA
(3R,4S,5R,6R)-2-[(E,2S,3R)-2-AMINO-3-HYDROXY-OCTADEC-4-ENOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	ME769413	1.30	1.04	NA	NA
1-(3,4-DIMETHOXYPHENYL)-2-(ETHYLAMINO)PENTAN-1-ONE	ME770293	1.30	1.05	NA	NA
3-(1-HYDROXY-5-METHYL-HEXYL)-5-METHYLOL-TETRAHYDROFURAN-2-ONE	ME769253	1.30	1.05	NA	NA
NAPHTHORESORCINOL	ME770332	1.31	1.07	NA	NA
(E)-6-HYDROXYOCTADEC-4-ENOIC ACID	ME770074	1.32	1.06	NA	NA
(2-CHLOROPHENYL)(6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL)ACETIC ACID	ME769226	1.32	1.06	NA	NA
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID	ME769813	1.32	1.06	NA	NA
(Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-KETODECYL)CYCLOPENTYL]HEPT-5-ENOIC ACID ISOPROPYL ESTER	ME770352	1.31	1.06	NA	NA
METHYL (2S)-2-[[(E)-3-(4-HYDROXYPHENYL)PROP-2-ENOYL]AMINO]-3-PHENYLPROPANOATE	ME769041	1.31	1.06	NA	NA
L-PHENYLALANYL-L-METHIONINE	ME770767	1.31	1.06	NA	NA
(E)-2-[(2S,3S,7AS,12BS)-3-ETHYL-7A-HYDROXY-8-METHOXY-2,3,4,6,7,12B-HEXAHYDRO-1H-PYRIDO[2,1-A]BETA-CARBOLIN-2-YL]-3-METHOXY-ACRYLIC ACID METHYL ESTER	ME770059	1.31	1.06	NA	NA
3-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL HEXADECANOATE	ME769293	1.31	1.06	NA	NA
5-(HYDROXYMETHYL)-2,4-DIMETHYLPYRIDIN-3-OL	ME769606	1.31	1.06	NA	NA
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE	ME770927	1.26	1.02	NA	NA
(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1,6-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0.04,6]DODECAN-8-YL) ESTER	ME769941	1.27	1.04	NA	NA
2-(2,4-DINITROANILINO)-4-(METHYLTHIO)BUTYRIC ACID	ME770548	1.28	1.03	NA	NA
2-[4-[(2-PHENOXYACETYL)AMINO]PHENYL]ACETIC ACID	ME770850	1.29	1.04	NA	NA
(3R,3AS,6AR)-1,2,3,3A,4,5,6,6A-OCTAHYDROCYCLOPENTA[C]PYRROLE-3-CARBOXYLIC ACID	ME770679	1.33	0.87	NA	NA
HOMOARGININE	ME768935	1.36	0.87	NA	NA
TETRABUTYLAZANIUM	ME769276	1.37	0.85	NA	NA
2-(CHLOROMETHYL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINE	ME768991	1.24	0.90	NA	NA
(2S,3AR,7AS)-1-[(2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL]-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID	ME770484	1.31	0.90	NA	NA
2-[(4-CHLOROPHENOXY)METHYL]-5,6-DIMETHYL-1H-BENZIMIDAZOLE	ME769083	1.31	0.93	NA	NA
3-OXOOCTADECANOIC ACID	ME770930	1.31	0.93	NA	NA
2-(PYRROLIDINOMETHYL)-1H-BENZIMIDAZOLE	ME769529	1.28	0.92	NA	NA
(6-METHOXY-3-PYRIDYL)AMINE	ME770178	1.29	0.94	NA	NA
[2-(2-AMINOBENZYL)PHENYL]AMINE	ME769836	1.28	0.97	NA	NA
TIOTROPIUM	ME770685	1.27	0.97	NA	NA
(2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-5-YL)AMINE	ME769872	1.31	0.99	NA	NA
3-(5-CARBETHOXY-2,4-DIMETHYL-1H-PYRROL-3-YL)PROPIONIC ACID	ME769205	1.32	0.97	NA	NA
[4-(CARBAMIMIDOYLSULFANYL)BUTYL]DIMETHYLAMINE	ME770146	1.31	0.96	NA	NA
VINYLPYRAZINE	ME770554	1.16	0.34	NA	NA
MORPHOLINE	ME770926	1.34	0.66	NA	NA
2-[(3-METHYLPHENYL)FORMAMIDO]ACETIC ACID	ME770387	1.37	0.76	NA	NA
2-METHOXY-3,5-DIMETHYLPYRAZINE	ME770517	1.21	0.75	NA	NA
L-TYROSYL-L-GLUTAMIC ACID	ME769883	1.29	0.78	NA	NA
2-METHYL-4-(METHYLAMINO)PHENOL	ME770437	1.30	0.73	NA	NA
(E)-4-KETO-4-(N^-NICOTINOYLHYDRAZINO)BUT-2-ENOIC ACID	ME769898	1.28	0.73	NA	NA
2,2-DIMETHYLPIPERAZINE	ME770757	1.22	0.58	NA	NA
2,5-DIMETHYLPYRIMIDIN-4-AMINE	ME770186	1.20	0.52	NA	NA
1-(CYANOMETHYL)CYCLOHEXANECARBONITRILE	ME770538	1.11	0.60	NA	NA
N-METHYL-N-(O-TOLYL)ACETAMIDE	ME769959	1.08	0.69	NA	NA
(1-ETHYL-3-PIPERIDYL)AMINE	ME770870	0.22	0.76	NA	NA
3-(4-AMINOPHENYL)-4-METHYL-1H-1,2,4-TRIAZOLE-5-THIONE	ME769350	0.30	0.66	NA	NA
(1-ETHYL-4-PIPERIDYL)AMINE	ME770831	0.25	0.59	NA	NA
N,N^-BIS[3-(ETHYLAMINO)PROPYL]BUTANE-1,4-DIAMINE	ME770754	0.21	0.56	NA	NA
(2S,3S,4S,5R,6S)-6-[2-ETHOXY-4-[2-KETO-2-[[(1S)-3-METHYL-1-(2-PIPERIDINOPHENYL)BUTYL]AMINO]ETHYL]BENZOYL]OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	ME769455	0.21	0.22	NA	NA
1-BENZYL-5-KETO-PYRROLIDINE-3-CARBOHYDRAZIDE	ME770313	0.45	0.27	NA	NA
2-[2-(4-HYDROXYPHENYL)ACETAMIDO]ACETIC ACID	ME769198	0.26	0.36	NA	NA
4-{1-HYDROXY-2-[(PROPAN-2-YL)AMINO]ETHYL}BENZENE-1,2-DIOL	ME770657	0.36	0.37	NA	NA
1-[2-[2-[2-[2-[2-(2-BUTOXY-1-METHYL-ETHOXY)-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]-1-METHYL-ETHOXY]PROPAN-2-OL	ME769011	0.59	1.09	NA	NA
1,3,7,8-TETRAMETHYLXANTHINE	ME769646	0.66	1.02	NA	NA
1-MESYLNIPECOTOHYDRAZIDE	ME769125	0.40	1.21	NA	NA
DECAMETHYL-1,3,5,7,9,2,4,6,8,10-PENTAOXAPENTASILECANE	ME770900	0.43	1.04	NA	NA
(4S)-4-AMINO-4-{[(1S)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]CARBAMOYL}BUTANOIC ACID	ME770413	0.94	0.73	NA	NA
(2S)-2-(METHYLAMMONIO)HEXANOATE	ME769309	0.96	0.57	NA	NA
ACETOPHENONE	ME770678	0.88	0.54	NA	NA
N,N-BIS(2-HYDROXYETHYL)DODECANAMIDE	ME770489	0.81	0.76	NA	NA
1-(4-BROMOPHENYL)PIPERAZINE	ME770760	0.78	0.86	NA	NA
5-ETHYL-5-ISOPROPYL-HYDANTOIN	ME770748	0.85	0.84	NA	NA
2-AMINO-2-METHYLPROPANE-1,3-DIOL	ME770185	0.72	0.94	NA	NA
2-(1H-BENZIMIDAZOL-2-YLTHIO)ETHYL-DIETHYL-AMINE	ME770889	0.86	0.97	NA	NA
1-DIBUTYLPHOSPHORYLBUTANE	ME769733	0.80	0.97	NA	NA
1-(DIMETHYLPHOSPHORYL)DECANE	ME769377	0.80	0.97	NA	NA
1-(3-MERCAPTOPROPANOYL)-6-METHYL-PIPECOLINIC ACID	ME770833	0.57	0.60	NA	NA
3-METHYLOXOLAN-2-ONE	ME769946	0.66	0.77	NA	NA
BETA,BETA-DIMETHYL ACRYLIC ACID	ME770421	0.67	0.76	NA	NA

Factors:

F1	Concentration:0.5x \| FMT:Post \| Sample type:Fecal matter
F2	Concentration:0.5x \| FMT:Pre \| Sample type:Fecal matter
F3	Concentration:2x \| FMT:Post \| Sample type:Fecal matter
F4	Concentration:2x \| FMT:Pre \| Sample type:Fecal matter

Data matrix