Data for (Study ST002977)

(Analysis AN004889)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3	F4
10,11-DIHYDROXY-9-(HYDROXYMETHYL)-2,2,6A,6B,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID	NA	NA	0.7182	1.6559
10-(2-HEXYLCYCLOPROPYL)DECANOIC ACID	NA	NA	1.1750	1.1995
10-AMINO-DECANOIC ACID	NA	NA	0.9201	1.3560
(10E,15Z)-9,12,13-TRIHYDROXYOCTADECA-10,15-DIENOIC ACID	NA	NA	1.4900	0.8830
10-HENDECENOIC ACID	NA	NA	1.2972	1.0499
10-HYDROXYDECANOIC ACID	NA	NA	0.4960	1.8023
10-KETO-10-METHOXY-CAPRIC ACID	NA	NA	2.0713	0.2933
10-UNDECYNOIC ACID	NA	NA	0.9149	1.4566
10Z-HEPTADECENOIC ACID	NA	NA	0.9782	1.3948
1-(10Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHO-(1^-RAC-GLYCEROL)	NA	NA	0.2795	2.0941
1-[1,6-DIMETHYL-4-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-EN-1-YL]ETHANONE	NA	NA	2.2518	0.1168
(11-AMINO-7-METHOXY-12-METHYL-10,13-DIOXO-2,5-DIAZATETRACYCLO[7.4.0.02,7.04,6]TRIDECA-1(9),11-DIEN-8-YL)METHYL CARBAMATE	NA	NA	1.3398	1.0350
11BETA-PGE2	NA	NA	1.2111	1.1634
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE	NA	NA	2.1372	0.2338
(11E,15Z)-9,10,13-TRIHYDROXYOCTADECA-11,15-DIENOIC ACID	NA	NA	1.0618	1.2856
1-(1-ETHYL-3,5-DIMETHYL-PYRAZOL-4-YL)SULFONYLISONIPECOTIC ACID	NA	NA	1.0515	1.3206
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	NA	NA	2.3401	0.0334
11-HYDROXY-UNDECANOIC ACID	NA	NA	2.3668	0.0059
11Z,14Z-EICOSADIENOIC ACID	NA	NA	1.4306	0.9444
1-[(1Z)-CYCLODODECEN-1-YL]ETHANONE	NA	NA	0.9993	1.3706
12(13)EP-9-KODE	NA	NA	1.2705	1.0827
12(13)-EPOME	NA	NA	1.9005	0.4648
1-[2-(1H-IMIDAZOL-5-YL)ETHYL]-3-PHENETHYL-THIOUREA	NA	NA	0.2126	2.1622
1-[(2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-1-BENZOFURAN-7-YL)OXY]-N-METHYLMETHANIMIDIC ACID	NA	NA	0.0697	2.3052
1,2,3,3-TETRAMETHYLNORBORNAN-2-OL	NA	NA	1.8625	0.4869
1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID	NA	NA	0.4274	1.9380
1-(2,3,8,8-TETRAMETHYL-1,3,4,5,6,7-HEXAHYDRONAPHTHALEN-2-YL)ETHANONE	NA	NA	1.5584	0.8098
1-{[2-(4-ETHOXYPHENYL)-2-METHYLPROPOXY]METHYL}-3-PHENOXYBENZENE	NA	NA	1.2555	1.0712
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	NA	NA	2.3594	0.0156
1-(2,5-DIMETHOXYPHENYL)-3-PROPYL-THIOUREA	NA	NA	2.0856	0.2830
1-(2,6-DIMETHYLPHENYL)-2H-TETRAZOLE-5-THIONE	NA	NA	0.9209	1.4524
12-(CYCLOHEXYLCARBAMOYLAMINO)LAURIC ACID	NA	NA	0.6593	1.4717
1,2-DIHYDROXYHEPTADEC-16-YN-4-YL ACETATE	NA	NA	0.9410	1.4339
1,2-DIMETHYL-4,5-DINITRO-BENZENE	NA	NA	0.4035	1.9708
(12E,14Z)-11-OXIDANYLICOSA-12,14-DIENOIC ACID	NA	NA	1.3897	0.9790
1-[2-(ETHANESULFONYL)ETHYL]-2-METHYL-5-NITRO-1H-IMIDAZOLE	NA	NA	1.3987	0.9759
1-(2-HYDROXY-4,5-DIMETHYL-PHENYL)ETHANONE	NA	NA	1.6895	0.6590
1-(2-HYDROXYETHYL)-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL	NA	NA	0.8083	1.5421
1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE	NA	NA	1.1883	1.1864
12-HYDROXYJASMONIC ACID	NA	NA	1.4020	0.9719
1-(2-HYDROXYPHENYL)-2-PYRROLIDONE	NA	NA	0.9837	1.3888
12-HYDROXYSTEARIC ACID METHYL ESTER	NA	NA	1.6403	0.7045
12-KETODEOXYCHOLIC ACID	NA	NA	1.7232	0.6517
1-(2-NITRO-1H-IMIDAZOL-1-YL)-3-(PIPERIDIN-1-YL)PROPAN-2-OL	NA	NA	1.2411	1.1336
1-[(2R,4S,5R)-4-FLUORO-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIMIDINE-2,4-QUINONE	NA	NA	2.2148	0.1583
(12Z,15Z)-7,9,10-TRIHYDROXYOCTADECA-12,15-DIENOIC ACID	NA	NA	1.5928	0.7680
(12Z,15Z)-9,10,11-TRIHYDROXYOCTADECA-12,15-DIENOIC ACID	NA	NA	1.1766	1.1933
13,14-DIHYDRO-15-KETO-PGD2	NA	NA	1.4710	0.9013
13,14-DIHYDRO-15-KETO-PGF2ALPHA	NA	NA	0.8198	1.5536
1,3,3A,4,5,6,7,8,9,10,11,12,13,13A-TETRADECAHYDROCYCLODODECA[C]FURAN	NA	NA	1.2069	1.1648
1-(3,3-DIMETHYLNORBORNAN-2-YL)PROPAN-1-OL	NA	NA	0.9773	1.3903
1-(3,4-DICHLOROPHENYL)-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA	NA	NA	0.2834	2.0913
(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHANOL	NA	NA	1.7466	0.6256
1-[3-(ACETYLTHIO)PROPANOYL]-6-METHYL-PIPECOLINIC ACID	NA	NA	1.9542	0.4166
1-(3-AMINOPIPERIDINO)ETHANONE	NA	NA	1.3149	1.0581
1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-2-BENZOFURAN-5-CARBONITRILE	NA	NA	0.5411	1.8333
1,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.4133	0.9616
1-(3-CHLOROPHENYL)PIPERAZINE	NA	NA	0.6709	1.6613
1,3-DIHYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.3401	1.0348
13-ETHYL-8-METHYL-8,15-DIAZAHEXACYCLO[14.2.1.01,9.02,7.010,15.012,17]NONADECA-2,4,6-TRIENE-14,18-DIOL	NA	NA	0.7641	1.6083
1-(3-ETHYLPYRAZIN-2-YL)ETHAN-1-ONE	NA	NA	1.4769	0.8976
1-(3-MERCAPTOPROPANOYL)-6-METHYL-PIPECOLINIC ACID	NA	NA	1.9548	0.4164
1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-DIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]ETHANONE	NA	NA	1.0550	1.3190
13Z-DOCOSENAMIDE	NA	NA	1.5490	0.8239
(13Z)-ICOS-13-ENOIC ACID	NA	NA	1.1636	1.1872
(13Z)-OCTADEC-13-ENOIC ACID	NA	NA	1.4432	0.9255
1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE	NA	NA	1.3004	1.0740
1,4A,7-TRIMETHYL-7-VINYL-3,4,6,8,8A,9,10,10A-OCTAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID	NA	NA	1.7236	0.6509
1-(4-ACETYLPHENYL)-3-PHENYL-THIOUREA	NA	NA	2.1459	0.1546
1-(4-AZANYLPIPERIDIN-1-YL)ETHANONE	NA	NA	1.3382	1.0354
1,4-DIHYDROXY-1,4-DIMETHYL-7-(PROPAN-2-YLIDENE)-DECAHYDROAZULEN-6-ONE	NA	NA	1.2938	1.0599
1,4-DIHYDROXY-2,2-DIMETHYL-PIPERAZINE	NA	NA	0.3068	2.0680
1-[4-(DIMETHYLAMINO)PHENYL]ETHANOL	NA	NA	2.1610	0.1769
1-(4-ETHYLPHENYL)-5-KETO-PYRROLIDINE-3-CARBOXYLIC ACID	NA	NA	0.9837	1.3886
1-(4-FLUOROPHENYL)-1-[3-(METHYLAMINO)PROPYL]-1,3-DIHYDRO-2-BENZOFURAN-5-CARBONITRILE	NA	NA	0.6351	1.7399
14-HYDROXY-TETRADECANOIC ACID	NA	NA	1.9420	0.4322
1,4-NAPHTHOQUINONE	NA	NA	1.4569	0.8974
1-(4-PIPERIDYL)ETHANOL	NA	NA	1.5745	0.6321
15-(4-HYDROXY-1,5-DIMETHYL-HEX-5-ENYL)-7,7,12,16-TETRAMETHYL-PENTACYCLO[9.7.0.01,3.03,8.012,16]OCTADECAN-6-OL	NA	NA	1.2152	1.1597
1-(5,8-DIMETHOXY-2,2-DIMETHYL-CHROMEN-6-YL)ETHANONE	NA	NA	1.3358	0.9663
15-KETO-PGE1	NA	NA	1.5151	0.8573
15-KETO-PGF2ALPHA	NA	NA	1.3833	0.9899
1-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENYL]-3-PYRROLINE-2,5-QUINONE	NA	NA	0.8791	1.4958
16,16-DIMETHYL-PGA1	NA	NA	2.3122	0.0625
16A-HYDROXYDEHYDROISOANDROSTERONE	NA	NA	0.5203	1.8545
16-A-HYDROXYPREGNENOLONE	NA	NA	0.5257	1.8489
1,6-DIOXACYCLOHEXADECANE-7,16-QUINONE	NA	NA	1.8774	0.4533
1-(6-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)PROPAN-1-ONE	NA	NA	2.3357	0.0375
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-3-ONE	NA	NA	0.9394	1.3562
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	NA	NA	2.1354	0.2387
17ALPHA-HYDROXYPREGNENOLONE	NA	NA	1.1172	1.2435
1,7-DIOXACYCLOHEPTADECAN-8-ONE	NA	NA	1.9265	0.4480
[1-(7H-PURIN-6-YL)-4-PIPERIDYL]AMINE	NA	NA	2.3477	0.0270
1-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-2-(METHYLAMINO)PROPAN-1-ONE	NA	NA	2.3472	0.0262
17-OCTADECYNOIC ACID	NA	NA	1.3677	1.0067
1-[8-[6-[(3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL)OXYMETHYL]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-7-HYDROXY-1-(4-HYDROXYBENZYL)-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]ETHANONE	NA	NA	1.6151	0.7580
1,9S,11R,15S-TETRAHYDROXY-13E-PROSTAENE	NA	NA	1.4700	0.9048
1-(9Z-HEPTADECENOYL)-2-(9Z-OCTADECENOYL(13C))-SN-GLYCEROL	NA	NA	1.2746	1.1003
1-(9Z-HEPTADECENOYL)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE	NA	NA	0.3618	2.0129
1-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOETHANOLAMINE	NA	NA	0.3306	2.0332
1-(9Z-PENTADECENOYL)-2-(9Z-OCTADECENOYL)-SN-GLYCEROL	NA	NA	1.0903	1.2846
1-(9Z-PENTADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	NA	NA	1.2787	1.0958
1A,1B-DIHOMO-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENOIC ACID	NA	NA	0.8783	1.4962
1-ACETYLISONIPECOTIC ACID	NA	NA	1.3425	1.0250
1-ACETYLPIPECOLINIC ACID	NA	NA	1.2626	1.1083
1-ACETYLPYRROLIDINE-2-CARBOXAMIDE	NA	NA	0.9873	1.3867
1-ADAMANTYL-(4-ETHYLPIPERAZINO)METHANONE	NA	NA	0.8427	1.5283
1-AMINO-3-(3-CHLORO-4-METHYL-PHENYL)THIOUREA	NA	NA	0.8181	1.5518
1-AMMONIOCYCLOBUTANECARBOXYLATE	NA	NA	0.8938	1.4787
(1AR,3AS,4S,7R,7AS,7BR)-1,1,3A,7-TETRAMETHYLDECAHYDRO-1H-CYCLOPROPA[A]NAPHTHALEN-4-OL	NA	NA	1.0101	0.4404
(1AR,4R,4AR,7R,7AS,7BS)-1,1,4,7-TETRAMETHYL-2,3,4A,5,6,7,7A,7B-OCTAHYDRO-1AH-CYCLOPROP[E]AZULEN-4-OL	NA	NA	2.2309	0.1411
(1AS,2R,6R,7R,7AR,7BR)-1A-ISOPROPENYL-7,7A-DIMETHYL-2,4,5,6,7,7B-HEXAHYDRONAPHTHO[1,2-B]OXIRENE-2,6-DIOL	NA	NA	2.3208	0.0531
1-BENZHYDRYL-3,3-DIFLUORO-AZETIDINE	NA	NA	1.2306	1.1442
[(1-BENZYL-1H-INDAZOL-3-YL)OXY]ACETIC ACID	NA	NA	0.8784	1.3665
1-BENZYL-4-BROMO-3,6-DIHYDRO-2H-PYRIDINE	NA	NA	1.0282	1.2193
1-BENZYL-4-PHENYL-PIPERIDIN-4-OL	NA	NA	1.1470	1.0161
1-BENZYL-5-KETO-PYRROLIDINE-3-CARBOHYDRAZIDE	NA	NA	0.2058	2.1273
1-BENZYLIMIDAZOLE-2-CARBOXYLIC ACID	NA	NA	1.0525	1.0715
1-BENZYLTRIAZOLE-4-CARBOXYLIC ACID	NA	NA	0.7857	0.4020
(1-CARBOXY-2-HYDROXY-ETHYL)-[1-HYDROXY-4-(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)PENTYLIDENE]AMMONIUM	NA	NA	0.8499	1.5248
1-(CARBOXYMETHYL)CYCLOHEXANECARBOXYLIC ACID	NA	NA	1.1359	1.2381
(1-CYCLOBUTYL-4-PIPERIDYL)AMINE	NA	NA	1.1061	1.2682
1-CYCLOHEXYL-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]UREA	NA	NA	0.6011	1.7509
1-CYCLOHEXYL-3-(2-PHENYLETHYL)UREA	NA	NA	0.2101	2.1641
1-CYCLOPROPYL-6-FLUORO-BENZOTRIAZOLE	NA	NA	0.8119	1.5628
(1E,4E)-1,5-BIS(2-HYDROXYPHENYL)PENTA-1,4-DIEN-3-ONE	NA	NA	0.9661	1.4072
(1E,6E)-1-(4-HYDROXY-3-METHOXYPHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE	NA	NA	0.4195	1.9553
1-ETHYL-3-METHYL-1H-IMIDAZOL-3-IUM	NA	NA	1.2429	1.0155
1-HEPTADECANOYL-2-(9Z-NONADECENOYL)-GLYCERO-3-PHOSPHOCHOLINE	NA	NA	1.4100	0.9648
1-HEPTADECANOYL-2-(9Z-OCTADECENOYL)-SN-GLYCEROL	NA	NA	1.3866	0.9880
1-HEXADECANOYL-RAC-GLYCEROL	NA	NA	2.2554	0.1189
1-HEXADECANOYL-SN-GLYCERO-3-PHOSPHATE	NA	NA	1.2317	1.1428
1H-INDOLE-3-CARBOXALDEHYDE	NA	NA	1.6569	0.6902
1H-INDOLE-6-CARBALDEHYDE	NA	NA	1.6575	0.6897
1-METHOXY-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENE	NA	NA	1.4839	0.8826
1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID	NA	NA	1.6854	0.6848
1-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID	NA	NA	1.0901	1.2847
1-METHYL-2,3,4,9-TETRAHYDROPYRIDO[3,4-B]INDOL-7-ONE	NA	NA	1.0019	1.3730
(1-METHYL-2-PIPERIDINO-ETHYL)AMINE	NA	NA	0.2139	2.1610
1-METHYL-3-(2-METHYLPROPYL)-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE	NA	NA	1.3324	1.0424
1-METHYL-3-[(2R)-1-METHYL-2-PYRROLIDINYL]PYRIDIN-1-IUM	NA	NA	1.1654	1.2090
1-METHYL-4-(1-METHYLPYRROLIDIN-2-YL)-9H-BETA-CARBOLINE	NA	NA	1.1878	1.1843
1-METHYL-9H-PYRIDO[3,4-B]INDOL-7-OL	NA	NA	1.7909	0.5673
1-(METHYLAMINO)-3-[2-(TRIFLUOROMETHYL)PHENOXY]PROPAN-2-OL	NA	NA	2.1912	0.1795
1-METHYLAZEPAN-4-ONE	NA	NA	0.0808	2.2921
1-METHYLGUANOSINE	NA	NA	0.6102	1.7642
1-METHYLHISTAMINE	NA	NA	1.8783	0.4955
1-METHYLINDAZOLE-4-CARBALDEHYDE	NA	NA	1.7868	0.5755
1-METHYLISONIPECOTIC ACID	NA	NA	1.5292	0.8414
1-METHYLNIPECOTIC ACID	NA	NA	2.1441	0.2270
1-METHYLXANTHINE	NA	NA	1.3031	1.0711
1-O-(3ALPHA,7ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL)-BETA-D-GLUCOPYRANURONIC ACID	NA	NA	0.7466	1.6284
1-OCTADECANOYL-RAC-GLYCEROL	NA	NA	1.0554	1.3090
1-O-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCEROL	NA	NA	1.2103	1.1645
1-PHENYL-6,7-DIHYDRO-5H-INDAZOL-4-ONE	NA	NA	1.9188	0.4531
1-PHENYLHEX-1-YN-3-OL	NA	NA	1.1855	1.1895
(1-PROPYL-3-PIPERIDYL)AMINE	NA	NA	2.0882	0.2711
1-(P-TOLYL)BUTAN-1-ONE	NA	NA	0.6144	1.7584
1-QUINOXALIN-2-YLBUTANE-1,2,3,4-TETROL	NA	NA	0.7427	1.6207
(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	NA	NA	2.1304	0.2442
(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	NA	NA	2.2321	0.1373
[(1R,2R)-3-OXO-2-PENTYLCYCLOPENTYL]ACETIC ACID	NA	NA	1.0518	1.3221
(1R,2R,4AR,8AR)-1-[2-(3-FURYL)ETHYL]-1,4A,5-TRIMETHYL-2,3,4,7,8,8A-HEXAHYDRONAPHTHALENE-2-CARBOXYLIC ACID	NA	NA	0.9528	1.4128
(1R,2R,4AS,8AS)-1-[(3R)-3-HYDROXY-3-METHYLPENT-4-EN-1-YL]-2,5,5,8A-TETRAMETHYLDECAHYDRONAPHTHALEN-2-OL LABD-14-ENE-8,13-DIOL	NA	NA	0.0197	2.3553
(1R,2R,4AS,8AS)-2-[(2R)-2-HYDROXYBUTYL]-1,3-DIMETHYL-4A,5,6,7,8,8A-HEXAHYDRO-2H-NAPHTHALENE-1-CARBOXYLIC ACID	NA	NA	1.6813	0.6816
(1R,2R,5S,7R,9S)-2,6,6-TRIMETHYL-8-METHYLENE-TRICYCLO[5.3.1.01,5]UNDECAN-9-OL	NA	NA	1.4749	0.8895
(1R,2S)-2-AMINOCYCLOPENTANECARBOXYLIC ACID ETHYL ESTER	NA	NA	1.8620	0.4853
(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	NA	NA	2.3522	0.0227
(1R,2S,5E,9E,12S)-12-ISOPROPYL-1,5,9-TRIMETHYL-15-OXABICYCLO[10.2.1]PENTADECA-5,9-DIEN-2-OL	NA	NA	2.0305	0.3443
(1R,2S,5S,8R)-7,7-DIMETHYL-6-METHYLENE-TRICYCLO[6.2.1.01,5]UNDECANE-2-CARBOXYLIC ACID	NA	NA	1.7358	0.6287
(1R,2S,6S,7R,8R)-4,4-DIMETHYL-3,5,10,11-TETRAOXATRICYCLO[6.2.1.02,6]UNDECAN-7-OL	NA	NA	0.8811	1.4529
(1R,3AR,5AR,5BR,7AR,9R,11AR,11BR,13AR,13BR)-1-ISOPROPENYL-3A,5A,5B,8,8,11A-HEXAMETHYL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSEN-9-OL	NA	NA	0.8550	1.5196
(1R,3AR,8S,8AS)-1-ISOPROPYL-3A,6-DIMETHYL-2,3,4,7,8,8A-HEXAHYDROAZULENE-1,8-DIOL	NA	NA	1.3271	1.0412
(1R,3AS,5AR,5BR,11AR,13AR)-7-HYDROXY-1-ISOPROPENYL-9-KETO-5A,5B,8,8,11A-PENTAMETHYL-2,3,4,5,6,7,7A,10,11,11B,12,13,13A,13B-TETRADECAHYDRO-1H-CYCLOPENTA[A]CHRYSENE-3A-CARBOXYLIC ACID	NA	NA	1.8888	0.4836
(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	NA	NA	0.5072	1.1105
(1R,3S,5S,7R)-5-ISOPROPENYL-2,8-DIMETHYLENE-CYCLODECANE-1,3,7-TRIOL	NA	NA	1.3655	0.8961
(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	NA	NA	1.4094	0.9653
(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	NA	NA	0.8525	1.5137
(1R,3S,5Z)-5-{2-[(1R,3AS,4E,7AR)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-OCTAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXANE-1,3-DIOL	NA	NA	1.0679	1.2837
(1R,4AR,5S)-5-[(E)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBALDEHYDE	NA	NA	1.7009	0.6719
(1R,4AR,7S)-1,4A,7-TRIMETHYL-7-VINYL-3,4,4B,5,6,8,10,10A-OCTAHYDRO-2H-PHENANTHRENE-1-CARBOXYLIC ACID	NA	NA	2.0583	0.3160
(1R,4AS,5R,8AS)-5-(5-HYDROXY-3-METHYL-PENTYL)-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBOXYLIC ACID	NA	NA	1.2429	1.1320
(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	NA	NA	0.7544	1.6179
(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	NA	NA	2.0765	0.2938
(1R,4S,5R,9S,10R,13S)-5,9-DIMETHYL-14-METHYLENE-13-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRACYCLO[11.2.1.01,10.04,9]HEXADECANE-5-CARBOXYLIC ACID [(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL] ESTER	NA	NA	0.4354	1.9363
(1R,4S,5S,6R,9R)-5,6-DIHYDROXY-4,11,11-TRIMETHYL-8-METHYLENE-BICYCLO[7.2.0]UNDECAN-3-ONE	NA	NA	2.2523	0.1018
(1R,4S,5S,6S)-4-AMINO-2,2-DIOXO-2$L^{6}-THIABICYCLO[3.1.0]HEXANE-4,6-DICARBOXYLIC ACID	NA	NA	1.3498	1.0219
(1R,5R)-2,6-DIMETHYL-8-METHYLENE-3-OXABICYCLO[3.3.1]NONANE	NA	NA	1.6118	0.7606
(1R,5R)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE	NA	NA	0.4148	1.9502
[(1R,5R,9S,13S)-5,9,13-TRIMETHYL-5-TETRACYCLO[11.2.1.01,10.04,9]HEXADEC-14-ENYL]METHANOL	NA	NA	1.4815	0.8923
(1R,5S)-1-(1-HYDROXY-2-METHYL-PROPYL)-4-METHYL-6-OXA-2-AZABICYCLO[3.2.0]HEPTANE-3,7-QUINONE	NA	NA	1.1973	1.1576
(1R,6R)-6-BENZYLCYCLOHEX-3-ENE-1-CARBOXYLIC ACID	NA	NA	0.6507	1.7209
(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	NA	NA	0.1881	2.1867
(1S)-2-METHYL-4-OXO-3-(PROP-2-EN-1-YL)CYCLOPENT-2-EN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANECARBOXYLATE	NA	NA	1.5813	0.5772
(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	NA	NA	0.7399	1.6203
(1S,2R,4AS,6AS,6BR,10S,12AR)-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	NA	NA	1.1137	1.2611
(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-TETRAHYDROXY-2,7-DIMETHYLSPIRO[9-OXATRICYCLO[6.3.1.01,5]DODECANE-6,3^-OXETANE]-2^,10-DIONE	NA	NA	2.3152	0.0598
(1S,2R,5R,7R,9S,11R)-2,6,6,9-TETRAMETHYLTRICYCLO[5.4.0.02,9]UNDECANE-5,8,11-TRIOL	NA	NA	1.9386	0.3764
(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-HYDROXY-2,5,6,10,10,14,21-HEPTAMETHYL-23-OXAHEXACYCLO[19.2.1.02,19.05,18.06,15.09,14]TETRACOS-17-EN-22-ONE	NA	NA	0.6878	1.6870
(1S,2R,7R,9R,11R,12S)-1,5-DIMETHYL-2-METHYLOL-SPIRO[8-OXATRICYCLO[7.2.1.02,7]DODEC-5-ENE-12,2^-OXIRANE]-11-OL	NA	NA	1.3975	0.9718
(1S,2R,8R,8AR)-OCTAHYDROINDOLIZINE-1,2,8-TRIOL	NA	NA	1.6540	0.7204
(1S,2S,3E,7R,11E,13R)-2-HYDROXY-7-METHYL-6-OXABICYCLO[11.3.0]HEXADECA-3,11-DIEN-5-ONE	NA	NA	1.0643	1.3028
[(1S,2S,4S,5S,6R,10S)-2-(HYDROXYMETHYL)-10-[(2S,3R,4S,5S,6R)-6-(HYDROXYMETHYL)-3,4,5-TRIS(OXIDANYL)OXAN-2-YL]OXY-3,9-DIOXATRICYCLO[4.4.0.02,4]DEC-7-EN-5-YL] 4-OXIDANYLBENZOATE	NA	NA	0.1123	2.2621
[(1S,2S,5S)-6,6-DIMETHYLNORPINAN-2-YL]METHANOL	NA	NA	1.2211	1.1362
(1S,2S,5S,8R,9S)-9-ISOPROPYL-2-METHYL-6-METHYLENE-11-OXATRICYCLO[6.2.1.01,5]UNDECAN-8-OL	NA	NA	1.2168	1.1480
(1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID	NA	NA	1.0927	1.2791
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-5-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}CYCLOHEXANE-1-CARBOXYLIC ACID	NA	NA	0.4377	1.9370
(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXYPHENYL)ACRYLOYL]OXY-1,5-DIHYDROXY-4-[(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLOYL]OXY-CYCLOHEXANECARBOXYLIC ACID	NA	NA	1.8746	0.5001
(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	NA	NA	1.9933	0.3708
(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	NA	NA	2.0672	0.3077
(1S,4AR,5S)-5-(5-ACETOXY-3-METHYL-PENTYL)-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBOXYLIC ACID	NA	NA	0.7121	1.6393
(1S,4AR,6AS,6BR,10R,11R,12AR)-1,10,11-TRIHYDROXY-2,2,6A,6B,12A-PENTAMETHYL-9,9-DIMETHYLOL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	NA	NA	1.6346	0.7393
(1S,4AS,5R,6R)-6-HYDROXY-5-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-1,4A,6-TRIMETHYL-DECALIN-1-CARBOXYLIC ACID	NA	NA	1.0915	1.2834
(1S,4R)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTANE-2,3-DIONE	NA	NA	2.2128	0.1448
(1S,4S,12S,13R,16R,17R)-17-(HYDROXYMETHYL)-12-METHYL-8-OXAPENTACYCLO[14.2.1.0(1,13).0(4,12).0(5,9)]NONADECA-5(9),6-DIEN-17-OL	NA	NA	0.1678	2.2034
(1S,4S,9R,10S,12S,13R)-13-HYDROXY-5,5,9-TRIMETHYL-16-METHYLENE-TETRACYCLO[10.2.2.01,10.04,9]HEXADECANE-6,14-QUINONE	NA	NA	1.8369	0.4777
(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	NA	NA	2.1900	0.1798
(1S,5S)-6,8,9-TRIMETHYL-4-[(E)-PROP-1-ENYL]-3-OXABICYCLO[3.3.1]NON-6-ENE	NA	NA	1.7099	0.6540
(1S)-7-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL	NA	NA	1.0434	1.3111
(1S,7R)-INDOLIZIDINE-1,6,7,8-TETROL	NA	NA	0.6289	1.7381
(1S,8R)-5,9,9-TRIMETHYL-2-METHYLENE-BICYCLO[6.2.0]DEC-4-ENE	NA	NA	1.1931	1.1797
(1S,8S,13R)-2-OXA-9-AZATETRACYCLO[6.5.1.01,5.09,13]TETRADECA-4,6-DIEN-3-ONE	NA	NA	2.2243	0.1486
(1S)-TRICYCLO[7.3.1.02,7]TRIDEC-2(7)-EN-13-ONE	NA	NA	1.2304	1.1439
1-(TERT-BUTYLAMINO)-3-PHENOXY-PROPAN-2-OL	NA	NA	1.9504	0.4106
(1-TETRAHYDROFURAN-3-YL-4-PIPERIDYL)AMINE	NA	NA	1.4241	0.8027
(1Z,5E,9E)-5,8,8-TRIMETHYLCYCLOUNDECA-1,5,9-TRIENE-1-CARBOXYLIC ACID	NA	NA	2.0380	0.2825
20-HYDROXYECDYSONE	NA	NA	1.0976	1.2766
20-HYDROXY-PGF2ALPHA	NA	NA	1.4927	0.8801
2-{1-[(1-{3-[(E)-2-(7-CHLOROQUINOLIN-2-YL)ETHENYL]PHENYL}-3-[2-(2-HYDROXYPROPAN-2-YL)PHENYL]PROPANESULFINYL)METHYL]CYCLOPROPYL}ACETIC ACID	NA	NA	2.3057	0.0693
2-[1-[[[(1S)-1-[3-[(E)-2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL]-3-[2-(1-HYDROXY-1-METHYL-ETHYL)PHENYL]PROPYL]THIO]METHYL]CYCLOPROPYL]ACETIC ACID	NA	NA	1.5743	0.8007
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]INDOL-3-YL]ACETIC ACID	NA	NA	0.9995	1.3713
2-(1,3,5-TRIMETHYLPYRAZOL-4-YL)ETHANOL	NA	NA	1.1456	1.2225
2-[1-[(3-OXO-2-AZASPIRO[4.5]DECAN-2-YL)METHYL]CYCLOHEXYL]ACETIC ACID	NA	NA	0.1029	2.2713
2-[1-[4,5-DIHYDROXY-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]INDOL-3-YL]ACETIC ACID	NA	NA	0.7638	1.6101
2-(14-METHYLPENTADECANOYLAMINO)-3-PHENYL-PROPIONIC ACID	NA	NA	1.0997	1.2358
2-(1-ADAMANTYL)ETHANEHYDROXAMIC ACID	NA	NA	0.3305	1.9764
2-[(1-BENZYL-1H-INDAZOL-3-YL)METHOXY]-2-METHYLPROPANOIC ACID	NA	NA	0.9284	1.3177
2-(1-BENZYL-5-METHOXY-2-METHYL-INDOL-3-YL)ETHYLAMINE	NA	NA	1.2423	1.0481
2-[(1E,5E,9E)-8,11-DIHYDROXY-1,5,9-TRIMETHYL-UNDECA-1,5,9-TRIENYL]-5-METHYL-2,3-DIHYDROPYRAN-6-ONE	NA	NA	1.2703	0.9241
2-[1-HYDROXY-1-[1-HYDROXY-10,13-DIMETHYL-3-[3,4,5-TRIHYDROXY-6-[(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYMETHYL]TETRAHYDROPYRAN-2-YL]OXY-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]ETHYL]-4,5-DIMETHYL-2,3-DIHYDROPYRAN-6-ONE	NA	NA	0.5682	1.8060
2-(1-HYDROXY-1-METHYL-ETHYL)-4A,8-DIMETHYL-DECALIN-1,5-DIOL	NA	NA	1.4418	0.9067
2-(1-HYDROXYETHYL)-4-(2-HYDROXYPROPYL)-2H-FURAN-5-ONE	NA	NA	1.2992	1.0444
21-HYDROXYPREGNENOLONE	NA	NA	0.2645	2.1095
2-(1-ISOPROPYLINDOL-3-YL)ETHYLAMINE	NA	NA	1.0743	1.2926
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID	NA	NA	1.9206	0.4514
2-[(1R,4S,5R,7R,8S,10S)-4-HYDROXY-5,10-DIMETHYL-11-OXATRICYCLO[6.2.1.01,5]UNDECAN-7-YL]ACRYLIC ACID	NA	NA	1.4394	0.9335
2-[(1S,2R,6S,7R)-3,5-DIKETO-4-AZATRICYCLO[5.2.1.02,6]DECAN-4-YL]PROPIONIC ACID	NA	NA	2.2150	0.1569
2-[(1S,2S,4AR,8AS)-1-HYDROXY-4A-METHYL-8-METHYLENE-DECALIN-2-YL]ACRYLIC ACID	NA	NA	0.8585	1.4856
2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-FLUORO-11-HYDROXY-16-KETO-6,6,9,13-TETRAMETHYL-5,7-DIOXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOSA-14,17-DIEN-8-YL]-2-KETO-ACETIC ACID	NA	NA	0.7692	1.5912
2,2^,2^^,2^^^-[ETHANE-1,2-DIYLBIS(OXY-2,1-PHENYLENENITRILO)]TETRAACETIC ACID	NA	NA	0.9503	1.4243
2-[2-[2-(2-LAURYLOXYETHOXY)ETHOXY]ETHOXY]ETHANOL	NA	NA	0.3406	2.0013
2-[[2-[[2-(BENZYLOXYCARBONYLAMINO)ACETYL]AMINO]ACETYL]AMINO]HEXANOIC ACID	NA	NA	1.9128	0.4616
2-(2,2-DIMETHYL-4-PHENYL-TETRAHYDROPYRAN-4-YL)ACETIC ACID	NA	NA	1.2913	1.0830
2-[[2-(2-HYDROXY-3-KETO-2-PENT-2-ENYL-CYCLOPENTYL)ACETYL]AMINO]-3-METHYL-VALERIC ACID	NA	NA	0.9790	1.3913
2-[2-(2-METHOXYETHOXY)ETHOXY]ETHAN-1-OL	NA	NA	1.2324	1.0507
2-[2-[4-(11-KETOBENZO[B][1,4]BENZOTHIAZEPIN-6-YL)PIPERAZINO]ETHOXY]ETHANOL	NA	NA	0.8452	1.5298
2,2,4,4,6,6-HEXAMETHYL-1,3,5,2,4,6-TRIOXATRISILINANE	NA	NA	0.8249	0.7594
2,2,5,7,8-PENTAMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-6-OL	NA	NA	1.3622	0.9977
2-(2,5-DIMETHOXY-3,4-DIMETHYL-PHENYL)ETHYLAMINE	NA	NA	1.2313	0.7128
2-[2,6-DIHYDROXY-4-METHYL-3-(1-METHYLOLVINYL)-4-VINYL-CYCLOHEXYL]ACRYLIC ACID METHYL ESTER	NA	NA	0.2876	2.0856
2-(2,6-DIMETHYLANILINO)-N,N-DIETHYL-2-KETO-ETHANAMINE OXIDE	NA	NA	1.0177	1.3412
2-(2,6-DIMETHYLMORPHOLINO)ETHANOL	NA	NA	1.3103	1.0249
2-(2-ACETAMIDOPHENOXY)ACETIC ACID	NA	NA	1.6307	0.7032
2-(2-ACETYL-3-HYDROXY-5-METHOXY-PHENYL)ACETIC ACID	NA	NA	1.6355	0.7345
2-(2-AMINO-3-METHYLBUTANAMIDO)-3-PHENYLPROPANOIC ACID	NA	NA	1.5455	0.8126
2-[(2-AMINO-6-OXO-6,9-DIHYDRO-3H-PURIN-9-YL)METHOXY]-3-HYDROXYPROPYL (2S)-2-AMINO-3-METHYLBUTANOATE	NA	NA	1.9757	0.3974
2-[(2-AMMONIOACETYL)AMINO]HEXANOATE	NA	NA	0.9822	1.3917
2-(2-AMMONIOPROPANOYLAMINO)HEXANOATE	NA	NA	0.1745	2.2005
2-[2-[BIS(2-HYDROXYETHYL)AMINO]-N-(2-HYDROXYETHYL)ANILINO]ETHANOL	NA	NA	1.8204	0.5509
2,2-BIS(HYDROXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-ONE	NA	NA	2.3593	0.0131
2-(2-CHLOROPHENYL)-2-(2-KETO-4,6,7,7A-TETRAHYDROTHIENO[3,2-C]PYRIDIN-5-YL)ACETIC ACID METHYL ESTER	NA	NA	0.4495	1.9253
2-(2-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXAN-1-ONE	NA	NA	0.3038	1.9765
2,2-DICYCLOHEXYL-2-HYDROXY-ACETIC ACID	NA	NA	1.9426	0.4315
2,2-DIHYDROXYACETIC ACID [(1S,2R,5S)-2-ISOPROPYL-5-METHYL-CYCLOHEXYL] ESTER	NA	NA	1.4472	0.9164
2,2-DIMETHYL-3-PHENYL-1H-QUINAZOLIN-4-ONE	NA	NA	0.2753	2.0758
2-[(2E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENAMIDO]BENZOIC ACID	NA	NA	0.3262	2.0487
2-(2-ETHYLPHENYL)ACETONITRILE	NA	NA	0.8499	1.5108
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	NA	NA	0.1304	2.2439
2-(2-HYDROXY-3H-INDOL-3-YL)ACETIC ACID	NA	NA	2.0889	0.2858
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-3-METHYL-BUTYRIC ACID	NA	NA	2.0837	0.2810
2-[(2-HYDROXY-3-METHYL-BUTANOYL)AMINO]-4-METHYL-VALERIC ACID	NA	NA	1.9488	0.4161
2-(2-KETO-1,3-BENZOTHIAZOL-3-YL)-N-PHENYL-ACETAMIDE	NA	NA	1.4360	0.9386
2-(2-KETOPYRROLIDINO)ACETIC ACID	NA	NA	1.1670	0.9619
2-(2-METHOXYPHENYL)-2-(METHYLAMINO)CYCLOHEXANONE	NA	NA	0.9109	1.4626
2-(2-METHYLIMIDAZOL-1-YL)PROPAN-1-OL	NA	NA	0.9018	1.4684
2-(2-NAPHTHYLAMINO)-N-[(E)-(4-NITROBENZYLIDENE)AMINO]ACETAMIDE	NA	NA	0.2056	2.1055
2-(2-OXOPYRROLIDIN-1-YL)ETHANIMIDIC ACID	NA	NA	1.2693	1.1032
2-(2-PHENYLETHOXY)-6-{[(3,4,5-TRIHYDROXYOXAN-2-YL)OXY]METHYL}OXANE-3,4,5-TRIOL	NA	NA	0.7230	1.6517
2-(2-PYRIMIDYL)ACETIC ACID	NA	NA	1.3225	0.9867
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.2471	1.1243
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.2250	2.1500
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.1236	1.2510
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.9512	1.4234
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.7662	1.6088
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.7059	1.6688
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.2144	1.1604
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.0165	1.3584
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.9513	1.4233
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.5258	1.8491
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.1194	1.2548
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	1.0111	1.3638
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.3130	2.0620
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	NA	NA	0.7660	1.6090
2-[(2R,4AR,8R,8AR)-8-HYDROXY-4A,8-DIMETHYL-DECALIN-2-YL]ACRYLIC ACID	NA	NA	1.0102	0.9418
2-[(2S)-5,5-DIMETHYLMORPHOLIN-2-YL]ACETIC ACID	NA	NA	1.2139	1.1028
2-(2-THIENYL)-1H-PHENANTHR[9,10-D]IMIDAZOLE	NA	NA	1.0341	1.3406
2-[2-[(Z)-PENT-2-ENYL]-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-CYCLOPENTYL]ACETIC ACID	NA	NA	0.2463	2.1274
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	NA	NA	2.2504	0.1244
2,3,4,5-TETRAHYDRO-1-BENZOXEPIN-3-ONE	NA	NA	0.5762	1.7974
2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPIN[1,2-A]INDOLE	NA	NA	1.9188	0.4531
2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPINE	NA	NA	1.5042	0.8381
2-(3,4-DIMETHOXYPHENYL)-5,6,7,8-TETRAMETHOXY-4H-CHROMEN-4-ONE	NA	NA	0.0752	2.2982
2-(3,5-DIMETHOXYPHENOXY)ETHANOL	NA	NA	0.2337	2.1321
2-(3,5-DIMETHYLPHENOXY)BUTYRIC ACID	NA	NA	1.5681	0.7724
2-(3-CARBOXYPROPANOYLAMINO)-4-(METHYLTHIO)BUTYRIC ACID	NA	NA	1.2611	1.1138
2,3-DIAMINOPROPANOIC ACID	NA	NA	1.5826	0.7819
2,3-DIHYDRO-1H-INDOLE-2,3-DIONE	NA	NA	1.9479	0.4171
2,3-DIHYDROXYPROPYL (5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOATE	NA	NA	0.9594	1.4155
2,3-DIHYDROXYPROPYL (9Z)-HEXADEC-9-ENOATE	NA	NA	1.7141	0.6588
2,3-DIHYDROXYPROPYL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.5281	0.8465
2,3-DIHYDROXYPROPYL DODECANOATE	NA	NA	1.5000	0.8546
2,3-DIHYDROXYPROPYL (Z)-DOCOS-13-ENOATE	NA	NA	0.7588	1.6114
2-(3-KETO-1,4-BENZOXAZIN-4-YL)ACETIC ACID	NA	NA	1.5684	0.8065
2-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTYL]ACETIC ACID	NA	NA	2.0128	0.3291
2-(3-KETO-6-METHYL-1,4-BENZOXAZIN-4-YL)ACETIC ACID	NA	NA	1.1193	1.2548
2-[3-(LAUROYLAMINO)PROPYL-DIMETHYL-AMMONIO]ACETATE	NA	NA	1.4949	0.8562
2-(3-PYRIDYL)QUINUCLIDINE	NA	NA	0.9478	1.4114
2-[(3S)-3-PIPERIDYL]ACETIC ACID METHYL ESTER	NA	NA	2.2802	0.0848
24,25-DIHYDROXYVITAMIN D3	NA	NA	1.6604	0.7112
{2-[4-(2-BUTYL-1-BENZOFURAN-3-CARBONYL)-2,6-DIIODOPHENOXY]ETHYL}(ETHYL)AMINE	NA	NA	1.9248	0.4502
2-[4-(2-HYDROXY-2-METHYLPROPYL)PHENYL]PROPANOIC ACID	NA	NA	2.0256	0.3486
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHENYL)ACETAMIDE	NA	NA	1.0549	1.3200
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	NA	NA	0.0071	2.3679
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	NA	NA	0.0359	2.3390
2-[4-(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)PENTANOYLAMINO]-3-PHENYL-PROPIONIC ACID	NA	NA	0.8587	1.5162
2-[4-(3-AMINO-2-HYDROXYPROPOXY)PHENYL]ACETAMIDE	NA	NA	1.6069	0.7640
2-[4-[4-(4-BENZHYDRYLOXYPIPERIDIN-1-IUM-1-YL)BUTANOYL]PHENYL]-2-METHYL-PROPIONATE	NA	NA	1.5794	0.7954
2,4,6-TRITERT-BUTYLBENZOIC ACID METHYL ESTER	NA	NA	2.1689	0.1913
2-[(4-AMINO-4-CARBOXY-BUTANOYL)AMINO]-4-METHYL-VALERIC ACID	NA	NA	0.8222	1.5524
2-(4B,8,8,10A-TETRAMETHYL-2-METHYLENE-1,3,4,4A,5,6,7,8A,9,10-DECAHYDROPHENANTHREN-1-YL)ACETIC ACID	NA	NA	0.8996	1.4730
2-(4-BENZO[B][1,4]BENZOTHIAZEPIN-6-YLPIPERAZINO)ETHANOL	NA	NA	2.2392	0.1357
2-(4-BUTOXYPHENYL)-N-HYDROXYACETAMIDE	NA	NA	2.2747	0.0918
2-[(4-CHLOROBENZOYL)AMINO]-3-(1H-INDOL-3-YL)PROPIONIC ACID	NA	NA	1.2534	1.1212
2-(4-CUMYLPHENOXY)ACETOHYDRAZIDE	NA	NA	0.1995	2.1735
2-[4-(CYANOMETHYL)PIPERAZINO]ACETONITRILE	NA	NA	2.0970	0.2711
24-DAMMARENE-3BETA,12BETA-20S-TRIOL	NA	NA	1.5843	0.7871
2,4-DIHYDROXY-3,6-DIMETHYL-BENZOIC ACID METHYL ESTER	NA	NA	0.9475	1.4218
2,4-DIHYDROXYHEPTADEC-16-YN-1-YL ACETATE	NA	NA	1.0125	1.3606
(24E)-STIGMASTA-5,24(28)-DIEN-3BETA-OL	NA	NA	0.8162	1.5587
2-(4-HYDROXY-3-METHOXYPHENYL)-6-[(E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-3,4-DIHYDRO-2H-PYRAN-4-ONE	NA	NA	0.5467	1.8280
2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-3H-BENZIMIDAZOL-5-OL	NA	NA	0.0079	2.3670
2-[4-(METHYLAMINO)PHENYL]ACETIC ACID	NA	NA	1.7126	0.6436
2-[[4-OXIDANYL-1,1-BIS(OXIDANYLIDENE)THIOLAN-3-YL]AMINO]ETHANOIC ACID	NA	NA	1.6232	0.6211
2-(4-PYRIDYL)ETHANOL	NA	NA	0.5198	0.5728
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	NA	NA	0.2850	2.0900
24S-HYDROXY-CHOLESTEROL	NA	NA	0.7053	1.6684
2-[5-[2-[2-[5-(2-HYDROXYBUTYL)TETRAHYDROFURAN-2-YL]PROPANOYLOXY]PROPYL]TETRAHYDROFURAN-2-YL]PROPIONIC ACID	NA	NA	1.3151	1.0528
2-[5-[(3Z,6Z)-2,12-DIHYDROXYDODECA-3,6-DIENYL]TETRAHYDROFURAN-2-YL]ACETIC ACID	NA	NA	1.6164	0.7571
2,5,7,8-TETRAMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA-3,7,11-TRIENYL]CHROMAN-6-OL	NA	NA	1.4986	0.8751
2,5,7-TRIMETHYL-4-QUINOLONE	NA	NA	2.2444	0.1303
2,5,8,11-TETRAOXATRIDECAN-13-OL	NA	NA	1.2619	1.0254
25-HYDROXY-CHOLESTEROL	NA	NA	0.7985	1.5758
25-HYDROXYVITAMIN D3	NA	NA	0.4645	1.9104
[2-(5-KETOPHENOTHIAZIN-10-YL)-1-METHYL-ETHYL]-DIMETHYL-AMINE	NA	NA	1.4434	0.9314
2-[(5-METHYL-2-THIENYL)METHYLAMINO]BUTAN-1-OL	NA	NA	1.0337	1.3370
(25R)-CHOLEST-5-ENE-3BETA,7ALPHA,26-TRIOL	NA	NA	0.5000	1.8743
(25R)-SPIROST-5-EN-3BETA-YL ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-MANNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE	NA	NA	2.0567	0.3178
(25S)-3-OXOCHOLEST-7-EN-26-OIC ACID	NA	NA	0.2263	1.1705
2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAEN-1-YLOXY]PROPANE-1,3-DIOL	NA	NA	1.2170	1.1580
2,6-DIAMINO-4-(PIPERIDIN-1-YL)PYRIMIDIN-1-IUM-1-OLATE	NA	NA	1.7630	0.5866
2,6-DIAMMONIOPIMELATE	NA	NA	1.4365	0.8603
2,6-DIMETHYL-4-(METHYLTHIO)PHENOL	NA	NA	1.0657	1.2704
2,6-DIMETHYLISONICOTINIC ACID	NA	NA	0.9507	1.4127
2,6-DITERT-BUTYL-4-(MORPHOLINOMETHYL)PHENOL	NA	NA	2.1151	0.2302
2,6-DI-TERT-BUTYLCYCLOHEXA-2,5-DIENE-1,4-DIONE	NA	NA	1.1995	1.1396
2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)THIO]METHYL]-3,5-DIMETHYL-4-PYRIDONE	NA	NA	0.4092	1.9657
2,6-PYRIDINEDICARBOXYLIC ACID	NA	NA	1.2467	1.1263
2,7,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA-3,7,11-TRIENYL]CHROMAN-6-OL	NA	NA	1.2585	1.0365
2-(7H-PURIN-6-YLAMINO)ACETIC ACID	NA	NA	1.2565	1.1185
2-(7-KETO-6-METHYL-OCTYL)-2H-FURAN-5-ONE	NA	NA	1.0804	0.5853
2,8-DIAZASPIRO[5.5]UNDECANE-1,7-QUINONE	NA	NA	2.2078	0.1607
2-[[(9~{Z},12~{Z})-OCTADECA-9,12-DIENOYL]AMINO]ACETIC ACID	NA	NA	0.1701	2.2006
2-ACETAMIDO-2-DEOXY-D-GALACTITOL	NA	NA	0.4354	1.9387
2-ACETAMIDO-3-[[(2E,6E,10E)-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL]THIO]PROPIONIC ACID	NA	NA	0.9517	1.4227
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	NA	NA	0.3962	1.9726
2-(ACETYLAMMONIO)-4-METHYL-VALERATE	NA	NA	1.6558	0.7067
2-ADAMANTYL-(4-BROMOPHENYL)AMINE	NA	NA	0.9085	1.4654
2-AMINO-1-(2,5-DIMETHOXYPHENYL)ETHAN-1-OL	NA	NA	1.3688	1.0038
2-AMINO-2-CYCLOPENTYL-ACETIC ACID	NA	NA	2.3507	0.0217
2-AMINO-2-METHYL-BUTYRIC ACID	NA	NA	0.5132	1.8477
2-AMINO-2-METHYL-GLUTARIC ACID	NA	NA	0.7049	1.6294
2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPAN-1-OL	NA	NA	1.7700	0.6049
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID	NA	NA	1.6166	0.7582
2-AMINO-3-(1H-INDOL-3-YL)PROPIONIC ACID METHYL ESTER	NA	NA	1.2785	1.0875
2-AMINO-3-(2-HYDROXYPHENYL)PROPANOIC ACID	NA	NA	2.2173	0.1574
2-AMINO-3-(3,4-DIHYDROXYPHENYL)PROPANOIC ACID	NA	NA	1.0921	1.2757
2-AMINO-3-[4-(CARBOXYMETHYL)PHENYL]PROPIONIC ACID	NA	NA	0.7443	1.6268
2-AMINO-3-[4-HYDROXY-3-(3-METHYLBUT-2-ENYL)PHENYL]PROPIONIC ACID	NA	NA	0.2808	2.0893
2-AMINO-3-(5-METHOXY-1H-INDOL-3-YL)PROPIONIC ACID	NA	NA	0.9237	1.4506
(2-AMINO-3,6-DIMETHYL-PHENYL)AMINE	NA	NA	1.1878	1.1780
2-AMINO-3-CYCLOHEXYL-PROPAN-1-OL	NA	NA	1.0283	1.3348
2-AMINO-3-METHYLBUTANOIC ACID	NA	NA	0.7176	1.6570
2-AMINO-4-(2-AMINO-3-HYDROXYPHENYL)-4-OXOBUTANOIC ACID	NA	NA	1.5358	0.8391
2-AMINO-4-TERT-BUTYL-PHENOL	NA	NA	0.5170	1.8230
2-AMINO-5-METHYL-HEXANOIC ACID	NA	NA	1.6347	0.6180
2-AMINO-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER	NA	NA	0.0560	2.3188
2-AMINO-5-OXOHEXANOIC ACID	NA	NA	1.3123	1.0228
2-AMINO-5-PROPYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER	NA	NA	0.5043	1.8707
2-AMINO-6-UREIDO-HEXANOIC ACID	NA	NA	1.1312	1.2437
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPOXY]PHOSPHINIC ACID	NA	NA	0.0401	2.3348
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPOXY]PHOSPHINIC ACID	NA	NA	1.3839	0.9862
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	NA	NA	0.7653	1.6095
(2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY]PHOSPHINIC ACID	NA	NA	1.0982	1.2707
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	NA	NA	1.1913	1.1836
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	NA	NA	1.2689	1.1059
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	NA	NA	2.0164	0.3585
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(TETRADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	NA	NA	1.6957	0.6792
(2-AMINOETHOXY)[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID	NA	NA	0.9444	1.4305
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID	NA	NA	1.4345	0.9405
2-AMINOETHYL-METHYL-PHENYL-AMINE	NA	NA	0.5916	1.7822
2-AMINOHEPTANEDIOIC ACID	NA	NA	1.0286	1.3461
2-AMINOINDANE-2-CARBOXYLIC ACID	NA	NA	1.6381	0.7297
2-AMMONIO-3-(3,4-DIHYDROXYPHENYL)-2-METHYL-PROPIONATE	NA	NA	1.2683	1.0932
2-AMMONIO-4-[(2-AMMONIO-2-CARBOXYLATO-ETHYL)THIO]BUTYRATE	NA	NA	1.6808	0.6934
2-ANILINOPROPIONIC ACID	NA	NA	1.1343	1.2402
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE	NA	NA	0.7031	1.6713
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE	NA	NA	1.0080	1.3665
2-AZANYL-N-(1-AZANYL-4-METHYL-1-OXIDANYLIDENE-PENTAN-2-YL)-4-METHYL-PENTANAMIDE	NA	NA	2.1049	0.2643
2-AZASPIRO[4.5]DECAN-3-ONE	NA	NA	0.2394	2.1183
2-BENZOFURAN-1,3-DIONE	NA	NA	0.9777	0.8487
2-BENZOYLOXYETHYL(TRIMETHYL)AMMONIUM	NA	NA	0.8305	1.5006
[2-(BUTANOYLOXY)ETHYL]TRIMETHYLAZANIUM	NA	NA	0.8105	1.5620
2-BUTYL-3-METHYL-PYRAZINE	NA	NA	1.7412	0.6312
2-CHLORO-1-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)ETHANONE	NA	NA	0.6839	1.6480
2-CHLOROBENZHYDROL	NA	NA	1.3226	1.0469
2-CHLORO-N-(1-CYANOCYCLOHEPTYL)ACETAMIDE	NA	NA	0.8349	1.5373
2-CHLORO-N-P-PHENETYL-PROPIONAMIDE	NA	NA	2.2963	0.0779
(2-CHLOROPHENYL)(6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL)ACETIC ACID	NA	NA	1.4044	0.9706
(2-COUMARAN-5-YL-1-METHYL-ETHYL)-METHYL-AMINE	NA	NA	0.4699	0.7711
2-CYCLOHEXYL-2-OXIDANYL-2-PHENYL-ETHANOIC ACID	NA	NA	1.3926	0.9451
2-CYCLOPROPYLACETIC ACID	NA	NA	0.9877	1.3400
2-DEC-9-ENYLGLUTARIC ACID	NA	NA	1.6367	0.6655
2-(DIETHYLAMINO)ETHAN-1-OL	NA	NA	1.1303	1.1628
2-(DIMETHYLAMINO)-7H-HYPOXANTHINE	NA	NA	0.5943	1.7764
(2E,10E)-11-(1,3-BENZODIOXOL-5-YL)-1-PIPERIDINO-UNDECA-2,10-DIEN-1-ONE	NA	NA	1.9083	0.4665
(2E)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE	NA	NA	2.0332	0.3258
(2E)-2-HEPTYLIDENECYCLOHEXANONE	NA	NA	1.4722	0.7748
(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]PROP-2-ENAMIDE	NA	NA	0.4260	1.9481
(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	NA	NA	1.1375	1.2372
(2E)-3-[(4S,7R,7AR)-3,7-DIMETHYL-2,4,5,6,7,7A-HEXAHYDRO-1H-INDEN-4-YL]-2-METHYLPROP-2-ENOIC ACID	NA	NA	0.5085	1.8659
(2E,4E,10E)-11-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)UNDECA-2,4,10-TRIEN-1-ONE	NA	NA	1.8229	0.5514
(2E,4E,10Z)-N-ISOBUTYLHEXADECA-2,4,10-TRIENAMIDE	NA	NA	1.8297	0.5397
(2E,4E)-12-HYDROXY-3,5,7-TRIMETHYL-13-METHYLOL-TETRADECA-2,4-DIENEDIOIC ACID	NA	NA	1.2286	0.9945
(2E,4E,14E)-15-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-PENTADECA-2,4,14-TRIENAMIDE	NA	NA	1.8894	0.4560
(2E,4E,14Z)-N-(2-METHYLPROPYL)ICOSA-2,4,14-TRIENAMIDE	NA	NA	1.7577	0.5998
(2E,4E)-5-(1-HYDROXY-4-KETO-2,6,6-TRIMETHYL-CYCLOHEX-2-EN-1-YL)-3-METHYL-PENTA-2,4-DIENOIC ACID METHYL ESTER	NA	NA	1.3782	0.9300
(2E,4E)-6,7-DIHYDROXYOCTA-2,4-DIENOIC ACID [(5R,9AS,9BS)-9B-HYDROXY-1-KETO-6,6,9A-TRIMETHYL-3,5,5A,7,8,9-HEXAHYDROBENZ[E]ISOBENZOFURAN-5-YL] ESTER	NA	NA	0.6787	1.6946
(2E,4E,6E)-11-(1,3-BENZODIOXOL-5-YL)-N-ISOBUTYL-UNDECA-2,4,6-TRIENAMIDE	NA	NA	1.7554	0.6194
(2E,4E,6E,8E)-9-(3-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENAL	NA	NA	0.1210	2.2539
(2E,4E,6E,8E)-9-(3-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENOIC ACID	NA	NA	0.2426	2.1169
(2E,4E,6S)-8-HYDROXY-4-METHYL-6-METHYLOL-OCTA-2,4-DIENOIC ACID [(2R)-6-KETO-2-[(E,1S,3R)-1,3,5-TRIMETHYLHEPT-5-ENYL]-2,3-DIHYDROPYRAN-3-YL] ESTER	NA	NA	0.4907	1.8212
(2E,4E,7R)-11-[(2R,3R)-3-(HYDROXYMETHYL)-4-OXOOXETAN-2-YL]-3,5,7-TRIMETHYLUNDECA-2,4-DIENOIC ACID	NA	NA	1.0417	1.3273
(2E,4E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)NONA-2,4,8-TRIEN-1-ONE	NA	NA	2.0160	0.3589
(2E,4E,8Z,10Z)-N-ISOBUTYLDODECA-2,4,8,10-TETRAENAMIDE	NA	NA	1.3532	1.0192
(2E,4E,9Z,12Z)-1-PIPERIDINOOCTADECA-2,4,9,12-TETRAEN-1-ONE	NA	NA	1.6661	0.7085
2E,4E-DODECADIENOIC ACID	NA	NA	0.5453	1.8273
(2E,4E)-N-(2-METHYLPROPYL)OCTADECA-2,4-DIENAMIDE	NA	NA	1.6428	0.6726
(2E,4E)-N-ISOBUTYL-2,4-DODECADIENAMIDE	NA	NA	2.1744	0.1960
(2E)-4-HYDROPEROXYNON-2-ENAL	NA	NA	0.7826	1.5851
(2E)-4-OXONON-2-ENAL	NA	NA	1.1556	1.2153
(2E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENT-2-EN-1-ONE	NA	NA	2.0305	0.3431
(2E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL)PENT-2-ENAMIDE	NA	NA	0.5166	1.8582
(2E,5E)-3,5,7-TRIMETHYLOCTA-2,5-DIENEDIOIC ACID	NA	NA	1.0780	1.2042
(2E,6E,10Z)-12-HYDROXY-6-METHYL-10-METHYLOL-2-(4-METHYLPENT-3-ENYL)DODECA-2,6,10-TRIENOIC ACID	NA	NA	2.2215	0.1490
(2E,8E)-9-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)NONA-2,8-DIEN-1-ONE	NA	NA	1.9002	0.4743
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	NA	NA	1.2159	1.1584
(2E)-DODEC-2-ENAL	NA	NA	1.0888	1.2779
(2E)-N-[2-(4-METHOXYPHENYL)ETHYL]-3-PHENYLPROP-2-ENAMIDE	NA	NA	0.8163	1.5586
(2E)-N-[2-HYDROXY-2-(4-HYDROXYPHENYL)ETHYL]-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENAMIDE	NA	NA	0.9597	1.4147
2-ETHOXY-3,3-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-5-YL METHANESULFONATE	NA	NA	0.1097	2.2513
2-ETHYL-3-METHYLPYRAZINE	NA	NA	1.7808	0.5937
[(2-ETHYL-6-METHYLPHENYL)(1-METHOXYPROPAN-2-YL)AMINO](OXO)ACETIC ACID	NA	NA	1.3569	0.9796
(2E)-TRIDEC-2-ENAL	NA	NA	1.1296	1.2441
2-FORMAMIDO-3-(1H-INDOL-3-YL)PROPIONIC ACID	NA	NA	2.0441	0.3309
2-HEXYLGLUTARIC ACID	NA	NA	1.9222	0.4520
2-(HEXYLOXY)BENZAMIDE	NA	NA	0.9949	1.3414
2-HYDROXY-2-(2-KETO-2-METHOXY-ETHYL)SUCCINIC ACID	NA	NA	2.2827	0.0908
2-HYDROXY-2-(4-HYDROXYBENZYL)-3-[(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLOYL]OXY-SUCCINIC ACID	NA	NA	0.1322	2.2376
2-HYDROXY-2-METHYL-BUTYRIC ACID	NA	NA	1.0455	1.1724
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID	NA	NA	0.1496	2.2251
2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID	NA	NA	1.1248	1.2501
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	NA	NA	0.2493	2.1242
2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID	NA	NA	1.1743	1.1815
2-HYDROXY-4-METHOXYBENZOIC ACID	NA	NA	0.4578	1.6042
{2-[HYDROXY(4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE)METHOXY]ETHYL}TRIMETHYLAZANIUM	NA	NA	0.0519	2.3226
2-HYDROXY-5^-KETO-1^,4,4^A-TRIMETHYL-4-VINYL-SPIRO[CYCLOPENTANE-1,6^-DECALIN]-1^-CARBOXYLIC ACID	NA	NA	1.3649	0.9397
2-HYDROXY-6-[(Z)-NONADEC-8-ENYL]BENZOIC ACID	NA	NA	1.6236	0.7513
2-HYDROXYFLUORENE	NA	NA	1.4992	0.8748
2-(HYDROXYMETHYL)-2-(METHOXYMETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-ONE	NA	NA	1.5569	0.7791
2-HYDROXY-N-TETRALIN-1-YL-ACETAMIDE	NA	NA	1.2152	1.1587
2-INDOL-1-YLACETAMIDE	NA	NA	1.5512	0.8152
2-ISOBUTYLMALONIC ACID DIMETHYL ESTER	NA	NA	2.1400	0.2231
2-[ISOPROPOXY-(4-PHENYLPHENYL)SULFONYL-AMINO]ETHANEHYDROXAMIC ACID	NA	NA	2.1006	0.2743
2-(ISOVALERYLAMINO)-3-METHYL-BUTYRIC ACID	NA	NA	0.7176	1.6571
2-MESITYLPROPAN-2-OL	NA	NA	1.5518	0.8188
2-METHOXY-4-[(1E)-PROP-1-EN-1-YL]PHENYL ACETATE	NA	NA	0.3041	2.0670
2-METHOXY-6-PENTYL-1,4-BENZOQUINONE	NA	NA	2.3089	0.0624
2-METHYL-2-(4-NITROPHENOXY)PROPIONIC ACID	NA	NA	1.3781	0.9968
2-METHYL-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	NA	NA	0.8947	1.3063
2-METHYL-4-(METHYLAMINO)PHENOL	NA	NA	2.2943	0.0715
2-METHYLACRYLIC ACID [(3S,4R,8R,9E)-6,14-DIKETO-10-METHYL-5-METHYLENE-7,13-DIOXATRICYCLO[10.2.1.04,8]PENTADECA-1(15),9-DIEN-3-YL] ESTER	NA	NA	0.7287	1.6458
2-(METHYLAMINO)-1-PHENYL-BUTAN-1-ONE	NA	NA	0.8738	1.2419
2-METHYLBUTYRIC ACID [(3AS,6R,7S,8S,8AR)-7-[(E)-BUT-2-ENOYL]-7-HYDROXY-2,5-DIKETO-6-METHYL-3-METHYLENE-4,6,8,8A-TETRAHYDRO-3AH-CYCLOHEPTA[B]FURAN-8-YL] ESTER	NA	NA	0.3434	2.0306
2-METHYLOL-6-[(3,4,14-TRIHYDROXY-5,5,14-TRIMETHYL-9-METHYLENE-6-TETRACYCLO[11.2.1.01,10.04,8]HEXADECANYL)OXY]TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	1.0817	1.2789
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	NA	NA	1.0678	1.3068
(2-METHYLOLNORBORNAN-2-YL)METHANOL	NA	NA	1.1904	1.1839
2-OCT-7-ENYLGLUTARIC ACID	NA	NA	2.1139	0.2527
2-OXO-2-[PHENYL(PROPAN-2-YL)AMINO]ETHANESULFONIC ACID	NA	NA	1.4781	0.8865
2-(PHENOXYMETHYL)-1,3-BENZOTHIAZOLE	NA	NA	0.7687	1.6050
2-PHENOXYPROPIONIC ACID ETHYL ESTER	NA	NA	0.3516	1.9487
2-PHENYL-2-(PHENYLTHIO)ACETOHYDRAZIDE	NA	NA	1.7583	0.6136
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	NA	NA	1.4807	0.8777
(2-PHENYLPHENYL)METHANAMINE	NA	NA	1.2347	1.1401
2-PROP-2-YNYLOCTANOIC ACID	NA	NA	0.7397	1.6318
2-(PYRIDIN-2-YLFORMAMIDO)ACETIC ACID	NA	NA	1.7416	0.6149
2-PYRIDYL-(3,4,5-TRIMETHOXYBENZYL)AMINE	NA	NA	1.5868	0.7862
(2R)-1-(2-HYDROXYETHYL)-2,5,5,8A-TETRAMETHYL-DECALIN-2-OL	NA	NA	1.2793	1.0951
(2R)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.4172	0.9577
(2R)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.3460	1.0290
(2R)-2-[(1S)-1-HYDROXYETHYL]-4-[(2S,3S)-3-METHYLOXIRAN-2-YL]-2H-FURAN-5-ONE	NA	NA	1.4269	0.9317
(2R)-2-[(2R,5S)-5-[(2S)-2-HYDROXYBUTYL]TETRAHYDROFURAN-2-YL]PROPIONIC ACID	NA	NA	1.3153	1.0526
(2R)-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]-4-METHYL-VALERIC ACID	NA	NA	1.4024	0.9686
(2R)-2-[[(2S)-2-AMINOPROPANOYL]AMINO]-3-PHENYL-PROPIONIC ACID	NA	NA	0.6917	1.6777
(2R)-2-[[(2S)-2-AMMONIOPROPANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPIONATE	NA	NA	1.0535	1.3211
[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY][2-(DIMETHYLAMINO)ETHOXY]PHOSPHINIC ACID	NA	NA	0.6651	1.7098
[(2R)-2,3-BIS(HEXADECANOYLOXY)PROPOXY][2-(METHYLAMINO)ETHOXY]PHOSPHINIC ACID	NA	NA	1.2589	1.1079
(2R)-2-AMINO-3-[(5-ACETAMIDO-2-HYDROXYPHENYL)SULFANYL]PROPANOIC ACID	NA	NA	0.0613	2.3137
(2R)-2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID	NA	NA	1.0467	1.2959
(2R)-2-AMINOBUTANEDIOIC ACID	NA	NA	1.7971	0.5741
(2R)-2-AZANIUMYL-2-CYCLOHEXYLACETATE	NA	NA	0.5178	1.8332
[(2R)-2-(METHYLCARBAMOYLOXY)-3-OCTOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	NA	NA	2.1110	0.2597
(2R)-3-(DECANOYLOXY)-2-(DODECANOYLOXY)PROPYL TETRADECANOATE	NA	NA	1.7476	0.6262
(2R)-3-HYDROXYPROPANE-1,2-DIYL (9Z,12Z,15Z,9^Z,12^Z,15^Z)BIS-OCTADECA-9,12,15-TRIENOATE	NA	NA	1.7043	0.6707
(2R)-3-HYDROXYPROPANE-1,2-DIYL DIHEXADECANOATE	NA	NA	1.2937	1.0752
(2R,3R)-2,3-BIS[(3-HYDROXYPHENYL)METHYL]BUTANE-1,4-DIOL	NA	NA	2.3312	0.0434
(2R,3R)-3-(ISOPROPYLAMINO)-1-(7-METHYLINDAN-4-YL)OXY-BUTAN-2-OL	NA	NA	1.0495	1.3242
(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	NA	NA	1.2966	1.0783
(2R,3R,4R,5S)-6-(METHYLAMINO)HEXANE-1,2,3,4,5-PENTOL	NA	NA	0.5117	1.8614
(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	NA	NA	0.3347	2.0395
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(1S)-1-[(3S,5R,8R,10R,12R,13R,14R)-3-[(2R,3R,4S,5S,6R)-4,5-DIHYDROXY-6-METHYLOL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-12-HYDROXY-4,4,8,10,14-PENTAMETHYL-2,3,5,6,7,9,11,12,13,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]-1,5-DIMETHYL-HEX-4-ENOXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	0.0526	2.3189
(2R,3R,4S,5S,6R)-2-[3-HYDROXY-2-(4-HYDROXY-3-METHOXY-PHENYL)PROPOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	0.8217	1.5528
(2R,3R,4S,5S,6R)-2-[(3-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXEN-1-YL)METHOXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	2.2165	0.1576
(2R,3R)-5-[(1E,3E)-HEPTA-1,3-DIENYL]-2,3-DIHYDROXY-6-METHYLOL-CYCLOHEXANONE	NA	NA	1.5679	0.7899
(2R,3S,4R,5R)-2,3,4,5-TETRAHYDROXY-6-[(2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-HEXANAL	NA	NA	0.1233	2.2516
(2R,3S,4R,5R)-2-ADENIN-9-YL-4-FLUORO-5-METHYLOL-TETRAHYDROFURAN-3-OL	NA	NA	1.8295	0.5398
[(2R,3S,4R,5R,6R)-5-AMINO-3,4,6-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]METHYL DIHYDROGEN PHOSPHATE	NA	NA	1.5152	0.8576
(2R,3S,4R,5S)-HEXANE-1,2,3,4,5-PENTOL	NA	NA	1.4211	0.9490
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-[2-(4-HYDROXYPHENYL)ETHOXY]TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	0.0665	2.3084
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXYMETHYL]-6-(1H-INDOL-3-YLOXY)TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	2.2909	0.0775
(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	NA	NA	1.6862	0.6886
2R,5,8-TRIMETHYL-2-[(3E,7E)-4,8,12-TRIMETHYLTRIDECA-3,7,11-TRIEN-1-YL]-3,4-DIHYDRO-2H-CHROMEN-6-OL	NA	NA	1.2455	1.0508
[(2R,5S)-5-PHENYLTETRAHYDROFURAN-2-YL]METHYLAMINE	NA	NA	0.3130	1.9246
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID	NA	NA	0.7539	1.6211
(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-HYDROXY-3-KETO-10,13-DIMETHYL-1,2,6,7,8,9,11,12,14,15,16,17-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]-2-METHYL-ENANTHIC ACID	NA	NA	0.6426	1.7320
(2R)-7,13-DIAZATETRACYCLO[7.7.1.02,7.013,17]HEPTADEC-4-EN-6-ONE	NA	NA	0.3474	2.0264
(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	NA	NA	0.6259	1.7476
(2R)-N-METHANESULFONYL-2-[4-(2-METHYLPROPYL)PHENYL]PROPANIMIDIC ACID	NA	NA	1.4919	0.8757
(2S)-1-[(2S)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	NA	NA	1.2128	1.1621
(2S)-1-[(2S)-2-AMINO-3-PHENYLPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	NA	NA	1.2863	1.0886
(2S)-1-[(2S)-2-AMINO-4-CARBOXYBUTANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	NA	NA	0.1329	2.2419
(2S)-1-[6-AZANYL-2-[[(2S)-1-OXIDANYL-1-OXIDANYLIDENE-4-PHENYL-BUTAN-2-YL]AMINO]HEXANOYL]PYRROLIDINE-2-CARBOXYLIC ACID	NA	NA	1.9136	0.4613
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.7262	0.6488
(2S)-1-[(9Z)-HEXADEC-9-ENOYLOXY]-3-HYDROXYPROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.3100	1.0650
(2S)-1-ACETYLPYRROLIDINE-2-CARBOXYLIC ACID	NA	NA	0.3655	2.0092
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	NA	NA	1.7310	0.6439
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.3100	1.0649
(2S)-1-(HEXADECANOYLOXY)-3-HYDROXYPROPAN-2-YL (9Z)-HEXADEC-9-ENOATE	NA	NA	1.5836	0.7911
(2S)-1-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPAN-2-YL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	NA	NA	1.9147	0.4603
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (11Z)-ICOS-11-ENOATE	NA	NA	0.8170	1.5579
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (13Z)-DOCOS-13-ENOATE	NA	NA	0.3069	2.0679
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.3336	1.0414
(2S)-1-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.2461	1.1260
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.6038	0.7711
(2S)-1-HYDROXY-3-(OCTADECANOYLOXY)PROPAN-2-YL OCTADECANOATE	NA	NA	1.0413	1.3219
(2S)-1-HYDROXY-3-(PENTADECANOYLOXY)PROPAN-2-YL (9Z)-OCTADEC-9-ENOATE	NA	NA	1.0579	1.3166
(2S)-1-HYDROXY-3-(TETRADECANOYLOXY)PROPAN-2-YL HEXADECANOATE	NA	NA	1.1161	1.2550
(2S)-2-(2-AZANIUMYLACETAMIDO)-3-PHENYLPROPANOATE	NA	NA	1.3743	0.9977
(2S)-2-[[(2R)-2-AZANYL-3-METHYL-BUTANOYL]AMINO]-3-(1H-INDOL-3-YL)PROPANOIC ACID	NA	NA	1.6884	0.6862
(2S)-2-[[(2R,3R)-3-AMMONIO-2-HYDROXY-4-PHENYL-BUTANOYL]AMINO]-4-METHYL-VALERATE	NA	NA	1.4251	0.9492
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(1H-INDOL-3-YL)PROPANOIC ACID	NA	NA	1.4477	0.9263
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID	NA	NA	2.0996	0.2737
(2S)-2-[[(2R,3S)-2-AZANYL-3-METHYL-PENTANOYL]AMINO]-3-PHENYL-PROPANOIC ACID	NA	NA	1.7943	0.5717
(2S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METHYLBUTANOIC ACID	NA	NA	2.0536	0.3212
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ACID	NA	NA	1.8653	0.5093
(2S)-2-[[(2S)-2-AZANYL-3-(1H-INDOL-3-YL)PROPANOYL]AMINO]-3-(1H-IMIDAZOL-5-YL)PROPANOIC ACID	NA	NA	0.8188	1.5557
(2S)-2-{[(5S)-5-AMINO-5-CARBOXYPENTYL]AMINO}PENTANEDIOIC ACID	NA	NA	0.6314	1.7407
(2S)-2,6-DIAMINO-5-[(3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXANOIC ACID	NA	NA	1.7438	0.6274
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-[(PHOSPHONOOXY)METHYL]OXOLAN-2-YL]-9H-PURIN-6-YL}AMINO)BUTANEDIOIC ACID	NA	NA	2.1288	0.2447
(2S)-2-ACETAMIDO-3-METHYL-BUTYRIC ACID [(5AS,9S,9AS)-3-KETO-6,6,9A-TRIMETHYL-4,5,5A,7,8,9-HEXAHYDRO-1H-BENZ[E]ISOBENZOFURAN-9-YL] ESTER	NA	NA	1.7870	0.5875
(2S)-2-AMINO-2-(3-CHLOROPHENYL)ACETIC ACID	NA	NA	1.4464	0.9272
(2S)-2-AMINO-3-{2,4-DIOXO-1H,2H,3H,4H,5H,6H,7H-CYCLOPENTA[D]PYRIMIDIN-1-YL}PROPANOIC ACID	NA	NA	1.2425	1.1320
(2~{S})-2-AMINO-3-BENZOXY-PROPIONIC ACID	NA	NA	0.3699	0.9617
(2S)-2-AMINO-3-METHYL-1-(PYRROLIDIN-1-YL)BUTAN-1-ONE	NA	NA	1.8050	0.5517
(2S)-2-AMINO-4-(BUTYLSULFONIMIDOYL)BUTANOIC ACID	NA	NA	1.2019	1.0999
(2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID	NA	NA	1.3376	0.6881
(2S)-2-AMINO-5-GUANIDINO-VALERIC ACID METHYL ESTER	NA	NA	1.3599	1.0148
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID	NA	NA	1.1629	1.2121
(2S)-2-AMMONIO-3-(4-TERT-BUTOXYPHENYL)PROPIONATE	NA	NA	1.1245	1.2503
(2S)-2-(CARBAMOYLAMINO)-3-PHENYLPROPANOIC ACID	NA	NA	2.3327	0.0412
(2S)-2-HYDROXY-2-PHENYLPROPANOIC ACID	NA	NA	0.8056	1.5674
(2S)-2-(P-TOLYL)CHROMAN-4-ONE	NA	NA	1.4871	0.8806
(2S)-2-[[(Z)-HEXADEC-9-ENOYL]AMINO]-3-PHENYL-PROPIONIC ACID	NA	NA	0.3099	2.0648
(2S)-3-(1H-IMIDAZOL-5-YL)-2-[[(2S)-PROLYL]AMINO]PROPIONIC ACID	NA	NA	0.8848	1.4897
[(2S)-3-[[(2R)-3-[(Z)-OCTADEC-9-ENOYL]OXY-2-OXIDANYL-PROPOXY]-OXIDANYL-PHOSPHORYL]OXY-2-OXIDANYL-PROPYL] (Z)-OCTADEC-9-ENOATE	NA	NA	1.7017	0.6728
(2S)-3-(4-HYDROXYPHENYL)-2-[[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYL]AMINO]PROPIONIC ACID	NA	NA	1.1283	1.2466
(2S)-3-HYDROXY-2-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL (13Z)-DOCOS-13-ENOATE	NA	NA	0.3561	2.0186
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL (11Z)-ICOS-11-ENOATE	NA	NA	0.8332	1.4259
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL (13Z)-DOCOS-13-ENOATE	NA	NA	0.3476	2.0040
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL DOCOSANOATE	NA	NA	0.7317	1.6428
(2S)-3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL ICOSANOATE	NA	NA	1.0910	1.2839
(2S)-3-HYDROXY-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL DOCOSANOATE	NA	NA	0.7482	1.6254
(2S,3R)-3-HYDROXY-2-(METHYLAMINO)BUTYRIC ACID	NA	NA	1.1955	1.1791
(2S,3R)-4-METHYLENE-5-OXO-2-PROPYL-3-OXOLANECARBOXYLIC ACID	NA	NA	0.3099	2.0536
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-17-(1,5-DIMETHYLHEXA-1,4-DIENYL)-3,12-DIHYDROXY-4,4,8,10,14-PENTAMETHYL-2,3,5,6,7,9,11,12,13,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-6-YL]OXY]-4,5-DIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	1.5554	0.8192
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-HYDROXY-6-[[6-HYDROXY-7,9,13-TRIMETHYL-6-[3-METHYL-4-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-BUTYL]-5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-EN-16-YL]OXY]-2-METHYLOL-5-[(2S,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	0.0153	2.3597
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-DIHYDROXY-6-METHYLOL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-TETRAHYDROPYRAN-2-YL]OXY-4-HYDROXY-2-METHYLOL-6-[(1S,4S,5^S,7S,8R,9S,13R,16S)-5^,7,9,13-TETRAMETHYL-5^-[[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYMETHYL]SPIRO[5-OXAPENTACYCLO[10.8.0.02,9.04,8.013,18]EICOS-18-ENE-6,2^-TETRAHYDROFURAN]-16-YL]OXY-TETRAHYDROPYRAN-3-YL]OXY-6-METHYL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	1.8389	0.5361
(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	NA	NA	1.5187	0.8505
(2S,3R,4S,5S)-4-AZANYL-2-[6-(DIMETHYLAMINO)PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLAN-3-OL	NA	NA	1.7603	0.6118
(2S,3R,4S,5S,6R)-2-[[(1S,4AR,7AS)-7-METHYLOL-1,4A,5,7A-TETRAHYDROCYCLOPENTA[C]PYRAN-1-YL]OXY]-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	1.1416	1.0023
(2S,3R,4S,5S,6R)-2-(3-HYDROXY-5-METHYL-PHENOXY)-6-METHYLOL-TETRAHYDROPYRAN-3,4,5-TRIOL	NA	NA	2.2702	0.1037
(2S,3R)-5-KETO-4-METHYLENE-2-OCTYL-TETRAHYDROFURAN-3-CARBOXYLIC ACID	NA	NA	1.8810	0.4702
(2S,3S)-2-[(2S)-2-AMINO-4-CARBAMOYLBUTANAMIDO]-3-METHYLPENTANOIC ACID	NA	NA	1.9473	0.4276
(2S,3S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-3-METHYLPENTANOIC ACID	NA	NA	1.8530	0.5219
[(2S,3S)-3-PHENYLOXIRAN-2-YL]METHANOL	NA	NA	1.6712	0.6542
(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	NA	NA	2.0763	0.2985
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,5R,6AR,6BS,8AS,12AS,14BR)-8A-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-DIHYDROXY-4-METHYLOL-TETRAHYDROFURAN-2-YL]OXY-3,5-DIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-3,4-DIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL]OXY-4,5-DIHYDROXY-TETRAHYDROPYRAN-2-YL]OXYCARBONYL-2,5-DIHYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-4-METHYLOL-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	NA	NA	1.1671	1.2064
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6AR,6BS,8AS,14BR)-4-CARBOXY-8A-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-DIHYDROXY-6-METHYL-5-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXYOXAN-2-YL]OXY-4,5-DIHYDROXYOXAN-2-YL]OXYCARBONYL-2-HYDROXY-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-TRIHYDROXYOXANE-2-CARBOXYLIC ACID	NA	NA	1.7406	0.6342
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6AR,6BS,8AR,9R,12AS,14BR)-9-HYDROXY-4,6A,6B,8A,11,11,14B-HEPTAMETHYL-4-METHYLOL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY]-5-[(2S,3R,4S,5R,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-3,4-DIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	NA	NA	0.7353	1.6383
(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	NA	NA	1.0108	1.3640
(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	NA	NA	0.0715	2.3030
(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(CYCLOPROPYLMETHYL)-16-[(1S)-1-HYDROXY-1,2,2-TRIMETHYL-PROPYL]-15-METHOXY-13-OXA-5-AZAHEXACYCLO[13.2.2.12,8.01,6.02,14.012,20]EICOSA-8(20),9,11-TRIEN-11-YL]OXY]-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID	NA	NA	1.7239	0.6510
(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	NA	NA	1.5718	0.8032
(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	NA	NA	2.2140	0.0623
(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	NA	NA	0.0272	2.3477
(2S,3S)-5-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-2-(4-METHOXYPHENYL)-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-4-ONE	NA	NA	1.8646	0.5104
(2S,3S,9R,13R,14S,16R)-17-[(1R)-1,2-DIHYDROXY-1,5-DIMETHYL-HEX-4-ENYL]-2,16-DIHYDROXY-4,4,9,13,14-PENTAMETHYL-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-1,2,3,7,8,10,12,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHREN-11-ONE	NA	NA	1.1574	1.2171
(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	NA	NA	1.8297	0.5396
(2S)-4-CARBAMOYL-2-ACETAMIDOBUTANOIC ACID	NA	NA	1.2195	1.1524
(2S,4S)-4-CYCLOHEXYLPROLINE	NA	NA	0.7700	1.5607
(2S,4S,5S,6R)-6-METHYLTETRAHYDROPYRAN-2,4,5-TRIOL	NA	NA	1.7452	0.5537
(2S)-5-GUANIDINO-2-(METHYLAMINO)VALERIC ACID	NA	NA	0.4710	1.7675
(2S)-6-AMINO-2-[(2S)-2-(2-AMINOACETAMIDO)-3-(1H-IMIDAZOL-4-YL)PROPANAMIDO]HEXANOIC ACID	NA	NA	0.6668	1.6906
(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	NA	NA	2.2871	0.0845
(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	NA	NA	0.2975	2.0769
(2S,8R)-8-HYDROXY-2-[(1S)-1-HYDROXYHEPTYL]-2,3,4,6,7,8-HEXAHYDROCHROMEN-5-ONE	NA	NA	1.4298	0.9230
(2-TERT-BUTYLPHENYL)AMINE	NA	NA	0.7898	1.4905
(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-DIHYDROXY-1,5-DIMETHYL-6-OXABICYCLO[3.2.1]OCT-8-YL]-3-METHYLPENTA-2,4-DIENOIC ACID	NA	NA	0.0697	2.3051
(2Z)-4-KETO-3-METHOXY-5-METHYL-HEXA-2,5-DIENOIC ACID	NA	NA	0.9675	1.3739
3,12-DIHYDROXY-4,6A,6B,11,12,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,11,12A,14,14A-TETRADECAHYDROPICENE-4,8A-DICARBOXYLIC ACID	NA	NA	2.3311	0.0436
3-[18-(2-CARBOXYETHYL)-3,7,12,17-TETRAMETHYL-8,13-DIVINYL-22,23-DIHYDROPORPHIN-2-YL]PROPIONIC ACID	NA	NA	1.7605	0.6145
3-[(1E,3E)-HEPTA-1,3-DIENYL]GLUTARIC ACID	NA	NA	1.5433	0.8242
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE	NA	NA	1.6216	0.7534
3-(1-HYDROXY-4-METHYL-HEXYL)-5-METHYLOL-TETRAHYDROFURAN-2-ONE	NA	NA	1.1282	1.2403
3-(1-HYDROXY-4-METHYL-PENTYL)-5-METHYLOL-TETRAHYDROFURAN-2-ONE	NA	NA	1.5495	0.7670
3-(1-HYDROXY-5-METHYL-HEXYL)-5-METHYLOL-TETRAHYDROFURAN-2-ONE	NA	NA	1.2640	1.0625
3-(1-HYDROXYHEXYL)-4-METHYLOL-TETRAHYDROFURAN-2-ONE	NA	NA	1.4365	0.8471
3-(1-HYDROXYHEXYL)-5-METHYLOL-TETRAHYDROFURAN-2-ONE	NA	NA	1.8372	0.4845
3-(2,3-DIKETOINDOLIN-1-YL)PROPIONIC ACID	NA	NA	1.9584	0.4159
3-(2,3-DIMETHYL-2-{[(2-OXO-2H-CHROMEN-7-YL)OXY]METHYL}-6-(PROPAN-2-YLIDENE)CYCLOHEXYL)PROPANOIC ACID	NA	NA	1.7527	0.5552
3-[(2,4-DIHYDROXY-3,3-DIMETHYL-BUTANOYL)AMINO]PROPANOIC ACID	NA	NA	1.1824	1.1926
3-(2,5-DIMETHYLPYRROL-1-YL)-4-HYDROXY-BENZOIC ACID	NA	NA	1.1993	1.1746
3-(2-HYDROXYPHENYL)PROPANOIC ACID	NA	NA	1.9679	0.4060
3-(2-METHYLPYRAZOL-3-YL)PROPIONIC ACID	NA	NA	2.1821	0.1925
[3-(2-PHENOXYETHOXY)PHENYL]AMINE	NA	NA	1.3072	1.0666
3-(2-PYRIDYL)PROPAN-1-OL	NA	NA	0.8133	1.5098
3-[(2S)-6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL]PROPIONIC ACID	NA	NA	0.7585	1.5151
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	NA	NA	2.3604	0.0145
3-[3-[(4-FLUOROPHENYL)SULFONYLAMINO]-1,2,3,4-TETRAHYDROCARBAZOL-9-YL]PROPIONIC ACID	NA	NA	2.1683	0.2061
3,3^-(7,12-DIETHYL-3,8,13,17-TETRAMETHYLPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID	NA	NA	1.9312	0.4437
3-(3-CARBOXYPROPANOYLAMINO)-4-METHYL-BENZOIC ACID	NA	NA	1.0857	1.2878
3-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6-TRIMETHYLCYCLOHEXEN-1-YL)DECA-3,7-DIENYL]-2-HYDROXY-2H-FURAN-5-ONE	NA	NA	0.4469	1.9269
3-(3-HYDROXYPHENYL)PROPANOIC ACID	NA	NA	2.1537	0.2175
3-(3-KETO-2-METHYL-2,5,6,7,8,8A-HEXAHYDRO-1H-NAPHTHALEN-1-YL)PROPIONIC ACID	NA	NA	1.4120	0.9262
3-(3-NITROPHENYL)-5-PHENETHYL-1,2,4-OXADIAZOLE	NA	NA	0.8194	1.3299
3-{3-OXO-2H,3H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-2-YL}PROPANOIC ACID	NA	NA	2.1102	0.2639
3-[4-(1-CARBOXYETHYL)PHENYL]-2-METHYLPROPANOIC ACID	NA	NA	0.7594	1.6144
3-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]-1H-INDOLE-5-CARBOXYLIC ACID	NA	NA	0.8980	1.4722
3,4,5-TRIMETHOXYPHENOL	NA	NA	2.3215	0.0510
3,4,5-TRIMETHYLPHENYL METHYLCARBAMATE	NA	NA	1.9604	0.4087
3,4,7-TRIMETHYL-2E,6-OCTADIEN-1-OL	NA	NA	1.1975	1.1742
3-(4-AMINO-1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PIPERIDINE-2,6-DIONE	NA	NA	1.9401	0.4322
3,4-DIMETHOXYPHENOL	NA	NA	0.2628	2.0956
3-(4-HYDROXYBENZYL)-2,3,6,7,8,8A-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-QUINONE	NA	NA	1.5186	0.8543
3-(4-HYDROXYPHENYL)-2-(METHYLAMMONIO)PROPIONATE	NA	NA	2.1774	0.1963
3-(4-NITROPHENYL)PROPANOIC ACID	NA	NA	0.1002	2.2743
3-(4-TERT-BUTYLPHENYL)-2-METHYLPROPANAL	NA	NA	1.1835	1.1915
3-[5-(3,4-DIHYDROXY-5-KETO-4-METHYL-TETRAHYDROFURAN-2-YL)-2-HYDROXY-4-METHOXY-PHENYL]PROPIONIC ACID	NA	NA	1.0105	1.2743
3,5-DIMETHYL 2,6-DIMETHYL-4-(2-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATE	NA	NA	2.1532	0.2210
3-(5-HYDROXY-6-KETO-2,2,7,8-TETRAMETHYL-7,8-DIHYDROPYRANO[3,2-G]CHROMEN-10-YL)HEXANOIC ACID	NA	NA	1.5020	0.8624
3,5-LUTIDINE	NA	NA	1.2367	1.1374
(3,6-DIMETHYLPYRIDAZIN-4-YL)AMINE	NA	NA	0.5018	1.7339
3-(6-HYDROXY-2,7,8-TRIMETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)PROPANOIC ACID	NA	NA	0.3230	2.0498
3,7-DIMETHYLOCT-6-ENE-1,2,3-TRIOL	NA	NA	0.2190	2.1442
3-(7-METHYLOCTYL)-3,6-DIHYDRO-1H-FURO[3,4-C]FURAN-4-ONE	NA	NA	1.8289	0.5159
3,8A-DIMETHYL-5-METHYLENE-4A,6,7,8-TETRAHYDRO-4H-BENZO[F]BENZOFURAN-2-ONE	NA	NA	0.4700	1.9026
3-(9H-PYRIDO[3,4-B]INDOL-1-YL)PROPANOIC ACID	NA	NA	1.3909	0.9807
3-ACETYLOXY-2-AZANIUMYL-PROPANOATE	NA	NA	1.5784	0.7953
3-ADENIN-9-YLPROPAN-1-OL	NA	NA	1.8295	0.5398
3ALPHA-3-HYDROXYTIRUCALLA-7,24-DIEN-21-OIC ACID	NA	NA	1.3635	1.0113
3ALPHA-HYDROXY-2ALPHA-METHYL-5ALPHA-ANDROSTAN-17-ONE	NA	NA	2.3142	0.0592
3ALPHA-HYDROXY-7,12-DIOXO-5BETA-CHOLAN-24-OIC ACID	NA	NA	0.2220	2.1523
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLAN-24-OIC ACID	NA	NA	0.7529	1.6220
3-AMINO-3-(4-PYRIDYL)PROPIONIC ACID	NA	NA	1.3222	0.7881
3-AMINO-4-(4-HYDROXYPHENYL)BUTYRIC ACID	NA	NA	1.1094	1.2634
3-AMINOADAMANTAN-1-OL	NA	NA	1.3811	0.9352
[3-(AMINOMETHYL)-5-METHYL-CYCLOHEXYL]METHANOL	NA	NA	1.2950	1.0638
3-AMINO-N-(3-AMINOPHENYL)BENZAMIDE	NA	NA	1.0263	1.3158
(3AR,4AS,7AS,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENEDECAHYDROAZULENO[6,5-B]FURAN-2,5-DIONE	NA	NA	1.3292	1.0327
(3AR,5AS,9AS,9BR)-3A,6,6,9A-TETRAMETHYL-1,4,5,5A,7,8,9,9B-OCTAHYDROBENZO[E]BENZOFURAN-2-ONE	NA	NA	0.7176	1.6265
[(3AR,5R,5AS,6S,8R,8AS,9S,9AS)-8,9-DIHYDROXY-5,8A-DIMETHYL-1-METHYLENE-2-OXO-4,5,5A,6,7,8,9,9A-OCTAHYDRO-3AH-AZULENO[6,5-B]FURAN-6-YL] ACETATE	NA	NA	0.0717	2.3031
(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	NA	NA	1.5886	0.7523
(3AR,5S,7S,8R,8AS,9AR)-7,8-DIHYDROXY-5,8A-DIMETHYL-1-METHYLENE-4,5,5A,6,7,8,9,9A-OCTAHYDRO-3AH-AZULENO[6,5-B]FURAN-2-ONE	NA	NA	1.9568	0.4114
(3AR,8R,8AR,9AR)-8-HYDROXY-8A-METHYL-3,5-DIMETHYLENE-3A,4,4A,6,7,8,9,9A-OCTAHYDROBENZO[F]BENZOFURAN-2-ONE	NA	NA	1.0386	1.3364
(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	NA	NA	0.7833	1.5915
(3AS,6Z,10Z,11AR)-6,10-DIMETHYL-3-METHYLENE-3A,4,5,8,9,11A-HEXAHYDROCYCLODECA[B]FURAN-2-ONE	NA	NA	1.1849	1.1897
(3AS,7AR)-3A,4,7,7A-TETRAHYDROISOBENZOFURAN-1,3-QUINONE	NA	NA	1.3852	0.9779
(3AS,7AS)-3A,4,5,6,7,7A-HEXAHYDROISOBENZOFURAN-1,3-QUINONE	NA	NA	0.7293	1.6248
3-AZANIUMYL-3-PHENYLPROPANOATE	NA	NA	0.8124	1.5596
(3BETA,12BETA)-12,20-DIHYDROXYDAMMAR-24-EN-3-YL 2-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE	NA	NA	0.6601	1.7147
(3BETA)-3,23-DIHYDROXYOLEAN-12-EN-28-OIC ACID	NA	NA	0.8895	1.4852
(3BETA,6ALPHA,12BETA)-3,12,20-TRIHYDROXYDAMMAR-24-EN-6-YL 2-O-(ALPHA-L-RHAMNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE	NA	NA	2.0910	0.2840
(3BETA)-HYDROXYCHOLEST-5-EN-26-OIC ACID	NA	NA	0.4913	1.8733
(3BETA)-STIGMAST-5-EN-3-YL BETA-D-GLUCOPYRANOSIDE	NA	NA	0.7916	1.5834
3B-HYDROXY-5-CHOLENOIC ACID	NA	NA	1.2476	1.1273
3-CARBOMETHOXYBICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID	NA	NA	1.0619	1.2971
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM	NA	NA	0.6449	1.7294
3-CETYL-4-METHOXY-5-METHYL-TETRAHYDROFURAN-2-ONE	NA	NA	1.0235	1.3500
3-(CYCLOHEXYLAMINO)-5,5-DIMETHYL-CYCLOHEX-2-EN-1-ONE	NA	NA	2.0295	0.3173
3-[(E)-2-NITROPROP-1-ENYL]-1H-INDOLE	NA	NA	1.6569	0.6902
3-[(E)-3,4-DIHYDROXY-3,5-DIMETHYL-HEPT-1-ENYL]-7,8-DIHYDROXY-7-METHYL-8,8A-DIHYDRO-1H-ISOCHROMEN-6-ONE	NA	NA	1.1381	1.0858
(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE	NA	NA	1.1420	1.2252
(3E,6E,8E,12E)-11-HYDROXY-4,8,10,12-TETRAMETHYL-TETRADECA-3,6,8,12-TETRAENOIC ACID	NA	NA	2.3631	0.0061
3-[(E)-PROP-1-ENYL]GLUTARIC ACID	NA	NA	1.5965	0.7673
3-ETHYL 5-METHYL 2-[(2-AMINOETHOXY)METHYL]-4-(2-CHLOROPHENYL)-6-METHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE	NA	NA	1.9866	0.3878
3-(ETHYLIMINOMETHYLIDENEAMINO)-N,N-DIMETHYL-PROPAN-1-AMINE	NA	NA	2.1544	0.2203
3-HEXADEC-15-EN-7-YNYL-4-HYDROXY-5-METHYL-TETRAHYDROFURAN-2-ONE	NA	NA	1.0872	1.2877
[3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOYL]OXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	NA	NA	1.0752	1.2990
3-(HEXADECYLOXY)PROPANE-1,2-DIOL	NA	NA	0.5876	1.7868
3-HYDROXY-2,3-DIHYDRO-1H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE	NA	NA	1.3568	1.0059
[3-HYDROXY-2-[(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOYL]OXYPROPYL] (6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOATE	NA	NA	1.6555	0.7183
3-HYDROXY-2-OCTYL-GLUTARIC ACID	NA	NA	0.8821	0.9102
3-HYDROXY-2-[(Z)-OCT-2-ENYL]GLUTARIC ACID	NA	NA	0.9425	1.4097
3-HYDROXY-5-KETO-5-METHOXY-3-METHYL-VALERIC ACID	NA	NA	0.8018	1.4459
3-HYDROXYDODECANOIC ACID	NA	NA	1.2223	1.1421
3-HYDROXY-ISOVALERIC ACID	NA	NA	0.9045	1.0331
3-HYDROXY-L-PROLINE	NA	NA	0.6016	1.7700
3-HYDROXYMETHYLGLUTARIC ACID	NA	NA	0.7846	1.5470
3-HYDROXYPYRIDINE	NA	NA	1.4138	0.9236
3-HYDROXYQUINUCLIDINE-3-CARBONITRILE	NA	NA	1.5898	0.7709
3-HYDROXYSEBACIC ACID	NA	NA	1.8757	0.4627
3-INDOLEPROPIONIC ACID	NA	NA	1.5560	0.8186
3-ISOBUTYL-3A,4,5,6-TETRAHYDRO-3H-ISOBENZOFURAN-1-ONE	NA	NA	1.4694	0.8854
3-KETOCHOLESTEROL	NA	NA	2.0321	0.3428
3-METHOXY-1-METHYL-4-QUINOLONE	NA	NA	2.3294	0.0438
(3-METHOXY-4-PYRROLIDINO-PHENYL)AMINE	NA	NA	1.3988	0.9623
(3-METHOXYPHENYL)-(4-PIPERIDYL)AMINE	NA	NA	1.7005	0.6740
3-METHYL-1-(4-PIPERIDYL)PIPERIDINE	NA	NA	0.8690	1.3169
3-METHYL-1-PHENYL-BUTAN-1-ONE	NA	NA	1.1900	1.1844
3-METHYL-3-OXIDANYL-5-OXIDANYLIDENE-5-[[(2R,3S,4S,5R,6R)-3,4,5-TRIS(OXIDANYL)-6-PROPAN-2-YLOXY-OXAN-2-YL]METHOXY]PENTANOIC ACID	NA	NA	1.5078	0.7931
3-METHYL-4-PHENYLBUTAN-2-ONE	NA	NA	0.2153	2.1575
3-METHYL-5-PHENYL-PENTAN-1-OL	NA	NA	0.3484	2.0251
3-METHYL-7-PROPYL-XANTHINE	NA	NA	1.5591	0.8036
3-METHYLADENINE	NA	NA	0.4370	1.9372
3-METHYLCYCLOPENTADECAN-1-ONE	NA	NA	1.1905	1.1369
3-METHYLDIOXYINDOLE	NA	NA	2.0947	0.2799
3-METHYL-HEXANEDIOIC ACID	NA	NA	0.8342	1.5248
3-[N-(2-HYDROXYETHYL)ANILINO]PROPIONITRILE	NA	NA	0.7004	1.6741
3-(OCTADECYLOXY)PROPANE-1,2-DIOL	NA	NA	1.0165	1.3583
3-OXIDANYL-N-[(3S)-2-OXIDANYLIDENEOXOLAN-3-YL]OCTANAMIDE	NA	NA	0.6178	1.7488
3-OXOANDROST-4-EN-17ALPHA-YL BETA-D-GLUCOPYRANOSIDURONIC ACID	NA	NA	1.3045	1.0673
3-OXO-N-[(3S)-2-OXOTETRAHYDROFURAN-3-YL]TETRADECANAMIDE	NA	NA	0.4698	1.9013
3-OXOOCTADECANOIC ACID	NA	NA	1.8373	0.5296
3-PHENYL-3-[(2-PHENYLACETYL)AMINO]PROPIONIC ACID	NA	NA	1.0892	1.1130
3-PHENYL-3-(2-PYRIDYL)PROPIONALDEHYDE	NA	NA	1.5721	0.7598
3-(PYRROLIDIN-2-YL)PYRIDINE	NA	NA	2.3577	0.0167
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	NA	NA	0.3817	1.9921
(3R)-3-[(2-METHYLPROPANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	NA	NA	0.6215	1.7508
(3R)-3-(3-HYDROXY-3-METHYL-BUTANOYL)OXY-4-(TRIMETHYLAMMONIO)BUTYRATE	NA	NA	0.3131	2.0615
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	NA	NA	0.1170	2.2578
(3R)-3-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]OXY-4-(TRIMETHYLAMMONIO)BUTYRATE	NA	NA	1.0612	1.3137
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	NA	NA	0.9335	1.4413
(3R,3AR)-3-(3-FURYL)-3A,7-DIMETHYL-3,4,5,6-TETRAHYDROISOBENZOFURAN-1-ONE	NA	NA	1.3403	1.0304
(3R)-4-HYDROXY-2-(7-HYDROXYHEPTYL)-3-[(E)-3-HYDROXYOCT-1-ENYL]CYCLOPENTANONE	NA	NA	1.5663	0.7969
(3R,4R,5S,6R)-3-AMINO-6-(HYDROXYMETHYL)OXANE-2,4,5-TRIOL	NA	NA	0.7606	1.5838
(3R,4S,5R)-3,4-DIHYDROXY-5-[(1S,2R,3R)-1,2,3,4-TETRAHYDROXYBUTYL]TETRAHYDROFURAN-2-ONE	NA	NA	0.1992	2.1744
(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-OL	NA	NA	1.6955	0.6672
(3R,4S,5S,6S)-6-CARBOXY-N-[2-(DIPHENYLMETHOXY)ETHYL]-3,4,5-TRIHYDROXY-N,N-DIMETHYLOXAN-2-AMINIUM	NA	NA	2.2415	0.1335
(3R,5R,8R,9S,10S,13R,14S,17R)-17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL	NA	NA	0.8858	1.4849
(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	NA	NA	2.1030	0.2715
(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	NA	NA	0.6230	1.7512
(3R,5S,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]-3,5-DIHYDROXYHEPT-6-ENOIC ACID	NA	NA	1.9484	0.4266
(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	NA	NA	2.3227	0.0523
(3R,5S,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	NA	NA	1.7755	0.5977
(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	NA	NA	1.4375	0.9319
(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	NA	NA	0.7055	1.6685
(3S)-3-[(1S,4R)-4-METHYL-1-(2-METHYLPROPANOYL)-3-OXOCYCLOHEXYL]BUTANOIC ACID	NA	NA	1.0431	1.2829
(3S)-3,7-DIAMINOHEPTANOIC ACID	NA	NA	1.2708	1.1040
(3S)-3-METHYL-OXACYCLOTETRADECAN-2-ONE	NA	NA	1.9241	0.4507
(3S)-4-AMMONIO-3-HYDROXY-BUTYRATE	NA	NA	1.4070	0.9604
(3S,4AR,6AR,6BS,8AS,11R,12S,12AS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6A,6B,11,12,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-OL	NA	NA	1.4420	0.9327
(3S,4AR,6AR,6BS,8AS,12AS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6A,6B,11,11,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-OL	NA	NA	1.2705	1.1035
(3S,4R)-3-(CARBOXYMETHYL)-4-(PROP-1-EN-2-YL)-L-PROLINE	NA	NA	1.7140	0.5873
(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	NA	NA	0.1836	2.1911
(3S,4R,5R)-1,3,5,6-TETRAHYDROXY-4-[(2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-HEXAN-2-ONE	NA	NA	0.4264	1.9485
(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	NA	NA	1.6386	0.7363
(3S,4S,6AR,6BS,8R,8AR,12AS,14BR)-8-HYDROXY-4,6A,6B,11,11,14B-HEXAMETHYL-3-[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROPYRAN-2-YL]OXY-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICENE-4,8A-DICARBOXYLIC ACID	NA	NA	0.7530	1.6216
(3S,4S,9BR)-4-HYDROXY-3,6,9-TRIMETHYL-3,3A,4,5,9A,9B-HEXAHYDROAZULENO[4,5-B]FURAN-2,7-QUINONE	NA	NA	1.0807	1.2841
(3S)-5-[(1R,2R,8AS)-2-HYDROXY-2,5,5,8A-TETRAMETHYL-DECALIN-1-YL]-3-METHYL-VALERIC ACID	NA	NA	1.0855	1.2675
(3S)-5-[(1S,8AR)-4-KETO-2,5,5,8A-TETRAMETHYL-4A,6,7,8-TETRAHYDRO-1H-NAPHTHALEN-1-YL]-3-METHYL-VALERIC ACID	NA	NA	1.7247	0.6492
(3S,5R,8S)-2-(BENZOYLOXYMETHYL)-8-METHYL-3-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-9,10-DIOXATETRACYCLO[4.3.1.02,5.03,8]DECANE-6-SULFONIC ACID	NA	NA	1.2683	1.1035
(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	NA	NA	0.4569	1.9179
(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	NA	NA	1.2886	1.0859
(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	NA	NA	1.2925	1.0824
(3S,5S,8R,9R,10S,13S,14S)-3-HYDROXY-13-METHYL-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-ONE	NA	NA	2.0977	0.2766
(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	NA	NA	1.4632	0.9071
(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	NA	NA	0.4007	1.9710
(3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-1,2,3,4,7,8,9,11,12,14-DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE	NA	NA	1.6927	0.6720
(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	NA	NA	0.6191	1.7536
(3Z)-3-BUTYLIDENE-6,7-DIHYDROXY-4,5,6,7-TETRAHYDROISOBENZOFURAN-1-ONE	NA	NA	1.4093	0.9591
(3Z)-HEX-3-EN-1-YL (2E)-2-METHYLBUT-2-ENOATE	NA	NA	0.9424	1.3697
4-(1,5-DIHYDROXY-1,5-DIMETHYL-HEXYL)-3-HYDROXY-BENZOIC ACID	NA	NA	1.9857	0.3817
4-[(1E,3E)-HEPTA-1,3-DIENYL]-3-METHYLOL-CYCLOHEXANE-1,2-DIOL	NA	NA	0.9034	1.4692
4-[(1E)-3-HYDROXYPROP-1-EN-1-YL]BENZENE-1,2-DIOL	NA	NA	0.8363	0.9115
4-[1-HYDROXY-2-(METHYLAMINO)ETHYL]-2-METHOXYPHENOL	NA	NA	1.2338	1.1372
4-[2-[[(1R,2S)-2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYL-ETHYL]AMINO]ETHYL]PHENOL	NA	NA	2.0734	0.3000
4-[2-[(1R,4AS,5R,6R,8AS)-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-5-METHYLOL-DECALIN-1-YL]-1-HYDROXY-ETHYL]-2H-FURAN-5-ONE	NA	NA	1.0673	1.3074
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	NA	NA	0.1885	2.1860
4-(2,5-DIMETHYLPHENYL)-4-KETO-BUTYRIC ACID	NA	NA	1.6909	0.6692
4-(2-AMINO-1-HYDROXYETHYL)PHENOL	NA	NA	1.1132	1.2609
4-[2-AZANYL-1-(1-OXIDANYLCYCLOHEXYL)ETHYL]PHENOL	NA	NA	2.1404	0.2211
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	NA	NA	0.1127	2.2607
{4-[2-HYDROXY-3-(PROPAN-2-YLAMINO)PROPOXY]PHENYL}ACETIC ACID	NA	NA	2.0346	0.3403
4-(2-HYDROXYPROPAN-2-YL)-1-METHYLCYCLOHEXAN-1-OL	NA	NA	1.0508	1.3178
4-(2-KETO-2-PHENYL-ACETYL)BENZOIC ACID	NA	NA	1.1020	0.8364
4-(2-KETOOXAZOLIDIN-3-YL)BENZAMIDE	NA	NA	2.2814	0.0850
4-(2-METHYL-1H-IMIDAZOL-1-YL)-2,2-DIPHENYLBUTANAMIDE	NA	NA	0.8371	1.5379
4-[(2R,3R)-3-METHYL-5-[(E)-PROP-1-ENYL]COUMARAN-2-YL]PHENOL	NA	NA	2.3432	0.0317
4-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBENZALDEHYDE	NA	NA	1.1226	1.2511
4-[2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL]-2-(HYDROXYMETHYL)PHENOL	NA	NA	1.9467	0.4280
4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE	NA	NA	1.6127	0.7615
4-[3-[2-(DIMETHYLAMINO)-2-OXO-ETHYL]-6-METHYL-IMIDAZO[1,2-A]PYRIDIN-2-YL]BENZOIC ACID	NA	NA	1.2306	1.1444
4-(3-CHLORO-4-FLUORO-ANILINO)-6-(3-MORPHOLINOPROPOXY)QUINAZOLIN-7-OL	NA	NA	2.1665	0.2058
4-(3-ETHOXY-3-KETO-PROPANOYL)PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER	NA	NA	1.3965	0.9652
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	NA	NA	2.1646	0.2104
4,4,7A-TRIMETHYL-3A,5,6,7-TETRAHYDRO-3H-INDENE-1-CARBOXYLIC ACID	NA	NA	1.9055	0.4430
4-{[4-(ACETYLOXY)PHENYL](PYRIDIN-2-YL)METHYL}PHENYL ACETATE	NA	NA	2.3217	0.0531
4-(4-AMINOPHENYL)MORPHOLIN-3-ONE	NA	NA	0.6178	1.7564
4-(4-METHYLPIPERAZINO)BENZALDEHYDE	NA	NA	2.1824	0.1884
4,5,6-TRIMETHYL-2-SULFANYL-PYRIDINE-3-CARBONITRILE	NA	NA	2.3687	0.0061
4,6-CHOLESTADIENONE	NA	NA	1.7778	0.5929
4,6-DIHYDROXY-15-[5-(1-HYDROXY-1-METHYL-ETHYL)-2-METHYL-TETRAHYDROFURAN-2-YL]-7,12,16-TRIMETHYL-PENTACYCLO[9.7.0.01,3.03,8.012,16]OCTADECANE-7-CARBOXYLIC ACID (3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL) ESTER	NA	NA	0.9604	1.4135
4,8-DIHYDROXY-6-METHOXY-3-METHYL-ISOCHROMAN-1-ONE	NA	NA	2.3183	0.0563
4-ACETAMIDO-5-[2-(4-HYDROXYPHENYL)ETHYLAMINO]-5-KETO-VALERIC ACID	NA	NA	1.5075	0.8659
4-ACETAMIDOBENZOIC ACID	NA	NA	1.8705	0.5031
4-ACETOXY-8-[3-KETO-2-[(E)-PENT-2-ENYL]CYCLOPENTEN-1-YL]CAPRYLIC ACID	NA	NA	0.9363	1.4380
4-(ACETYLOXY)-3,5-DIMETHOXYBENZOIC ACID	NA	NA	0.8241	1.5463
4-AMINO-1-[(2S,4S,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]PYRIMIDIN-2-ONE	NA	NA	2.2889	0.0858
4-AMINO-2,3,6-TRIMETHYL-PHENOL	NA	NA	2.0706	0.2990
4-AMINO-2-ISOPROPYL-5-METHYL-PHENOL	NA	NA	1.6254	0.7190
4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE	NA	NA	2.2932	0.0810
4-AMINOBUTYRIC ACID ETHYL ESTER	NA	NA	1.0002	1.2246
4-AMINOHEXANOIC ACID	NA	NA	0.9741	1.2912
4-(AMINOMETHYL)BENZOIC ACID ETHYL ESTER	NA	NA	0.9573	1.3733
[4-(AMINOMETHYL)PHENYL]METHANOL	NA	NA	1.2434	1.0586
4-AMINO-N-METHYL-N-PHENYL-BENZENESULFONAMIDE	NA	NA	0.7447	1.6287
(4AR)-5,6-DIHYDROXY-7-ISOPROPYL-1,1-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-4A-CARBOXYLIC ACID METHYL ESTER	NA	NA	1.9983	0.3745
(4AR,5R,6AR,6AS,6BR,8AR,9R,10S,12AR,14BS)-5,10-DIHYDROXY-2,2,6A,6B,9,12A-HEXAMETHYL-9-METHYLOL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	NA	NA	2.1499	0.2238
(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	NA	NA	0.2417	2.1258
(4AR,5R,6R)-6-HYDROXY-3-ISOPROPENYL-4A,5-DIMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-ONE	NA	NA	1.9414	0.4268
(4AR,5S)-9-HYDROXY-3,4A,5-TRIMETHYL-4,5,6,7,8,8A,9,9A-OCTAHYDROBENZO[F]BENZOFURAN-2-ONE	NA	NA	2.1021	0.2627
(4AR,6S,7R,8R,8AS)-6-METHOXY-2-PHENYL-4,4A,6,7,8,8A-HEXAHYDROPYRANO[3,2-D][1,3]DIOXINE-7,8-DIOL	NA	NA	1.2272	1.1252
(4AS,6AS,6BR,10S,12AR,14BS)-10-[(2S,3R,4S,5R,6R)-3,5-DIHYDROXY-6-METHYLOL-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-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 [(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL] ESTER	NA	NA	1.8918	0.4830
(4AS,6AS,6BR,8R,10S,12AR)-8,10-DIHYDROXY-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	NA	NA	0.9851	1.3893
(4AS,6AS,6BR,8R,9R,10R,11R,12AR,14BS)-8,10,11-TRIHYDROXY-2,2,6A,6B,9,12A-HEXAMETHYL-9-METHYLOL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	NA	NA	1.5202	0.8544
(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	NA	NA	1.0265	1.3484
(4AS,7AS)-6-METHYL-1,2,3,4,4A,5,7,7A-OCTAHYDROPYRROLO[3,4-B]PYRIDINE	NA	NA	1.2189	1.0996
4-AZANIUMYL-4-METHYL-PENTANOATE	NA	NA	2.0682	0.2950
(4-BENZOXY-5-BROMO-PYRIMIDIN-2-YL)-DIMETHYL-AMINE	NA	NA	1.1943	0.9344
4-BUTOXYCARBONYLBENZOIC ACID	NA	NA	0.8657	0.6242
(4-CHLORO-5,6-DIMETHYL-PYRIMIDIN-2-YL)AMINE	NA	NA	1.5074	0.8675
4-[(CYCLOHEXYLCARBAMOYL)AMINO]BUTANOIC ACID	NA	NA	0.7549	1.6200
4-DECYLPYRIDINE	NA	NA	0.7773	1.5976
(4E)-11,11-DIMETHYL-8-METHYLENE-BICYCLO[7.2.0]UNDEC-4-ENE-4-CARBOXYLIC ACID	NA	NA	1.7985	0.5402
(4E)-1,7-BIS(4-HYDROXYPHENYL)HEPT-4-EN-3-ONE	NA	NA	2.3034	0.0672
4-[(E)-3-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]OXYBUT-1-ENYL]-4-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-2-EN-1-ONE	NA	NA	0.5768	1.6948
4-[(E)-5-HYDROXY-3-METHYLPENT-3-ENYL]-3,5,5-TRIMETHYL-1-CYCLOHEX-2-ENONE	NA	NA	1.6718	0.6941
(4E,6E)-3-(3-KETO-3-METHOXY-PROPYL)-2-METHYLOL-DECA-4,6-DIENOIC ACID	NA	NA	1.9525	0.4131
(4E,6Z,8R,10Z)-8-HYDROXYHEXADECA-4,6,10-TRIENOIC ACID	NA	NA	0.8520	1.5227
(4-ETHYLBENZYL)-METHYL-AMINE	NA	NA	0.2001	2.1729
(4-FLUOROTETRAHYDROPYRAN-4-YL)METHYLAMINE	NA	NA	1.6027	0.7355
4-HYDROXY-2-METHOXY-6-METHYL-BENZOIC ACID [6-HYDROXY-8-KETO-7-METHYL-3-[(E)-PROP-1-ENYL]-5,6-DIHYDRO-1H-ISOCHROMEN-7-YL] ESTER	NA	NA	1.2959	1.0365
4-HYDROXY-3-[2-(1H-IMIDAZOL-5-YL)ETHYL]-4,5,5-TRIMETHYL-OXAZOLIDIN-2-ONE	NA	NA	0.0503	2.2684
4-HYDROXY-4-METHYLTETRAHYDRO-2H-PYRAN-2-ONE	NA	NA	1.0916	1.2121
4-HYDROXY-5-[2-[(E)-3-HYDROXYPROP-1-ENYL]-4-METHYL-PHENYL]-3-METHYL-HEXAN-2-ONE	NA	NA	0.6290	1.7425
4-HYDROXY-6-[2-(2-METHYL-1,2,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALEN-1-YL)ETHYL]TETRAHYDROPYRAN-2-ONE	NA	NA	0.1727	2.2015
4-HYDROXYBENZOIC ACID 2-MORPHOLINOETHYL ESTER	NA	NA	0.7771	1.5971
4-HYDROXY CAPRIC ACID	NA	NA	1.9223	0.4520
4-HYDROXY LAURIC ACID	NA	NA	1.9106	0.4639
4-HYDROXYQUINOLIN-2(1H)-ONE	NA	NA	1.8822	0.4913
4-(IMIDAZOL-1-YLMETHYL)BENZOIC ACID	NA	NA	1.7240	0.6203
4-KETO-1H-PYRIDINE-3-CARBOXYLIC ACID	NA	NA	1.8001	0.5713
4-KETO-1H-QUINOLINE-2-CARBOXYLIC ACID ETHYL ESTER	NA	NA	1.2318	1.1427
4-KETO-4-[(3-KETO-1,5-DIMETHYL-2-PHENYL-3-PYRAZOLIN-4-YL)AMINO]BUTYRIC ACID	NA	NA	1.3937	0.9503
4-KETO-4-[3-METHYL-5-(5,6,7-TRIHYDROXY-1,2,4A,5-TETRAMETHYL-DECALIN-1-YL)PENTOXY]BUTYRIC ACID	NA	NA	0.4931	1.8819
4-KETOPIMELIC ACID	NA	NA	0.4024	1.9590
4-METHOXY-1H-INDOLE-3-CARBALDEHYDE	NA	NA	2.1867	0.1708
4-METHOXY-3,5-DIMETHYL-BENZOIC ACID	NA	NA	1.3517	0.9663
4-METHOXY-9,10-DIHYDROPHENANTHRENE-2,7-DIOL	NA	NA	1.9446	0.4300
4-METHYL-1H-BENZIMIDAZOLE	NA	NA	1.0900	1.2815
4-METHYL-1-PHENYL-PENTAN-3-ONE	NA	NA	1.1590	1.2145
4-METHYL-2-MORPHOLINO-PYRIMIDINE-5-CARBOXYLIC ACID	NA	NA	1.0557	1.2839
4-METHYL-2-PYRIDIN-4-YL-5-THIAZOLECARBOXYLIC ACID	NA	NA	0.0371	2.3378
4-(METHYLAMINO)-1-(3-PYRIDYL)BUTAN-1-OL	NA	NA	1.9042	0.4670
4-METHYLBENZAMIDE	NA	NA	2.1642	0.1773
4-METHYLPIPERIDINE-2,6-QUINONE	NA	NA	0.7414	1.6239
4-OXODECANEDIOIC ACID	NA	NA	1.4087	0.9359
4-OXO-HEXANOIC ACID	NA	NA	1.4113	0.9584
4-PHENOXYBUTYLAMINE	NA	NA	1.5542	0.8200
4-PHENYLBUTAN-1-AMINE	NA	NA	1.2472	1.0982
4-(PROP-1-EN-2-YL)CYCLOHEX-1-ENE-1-CARBALDEHYDE	NA	NA	1.6593	0.6955
4-PYRIDOXIC ACID	NA	NA	1.8303	0.5446
(4R)-2-OXO-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID	NA	NA	1.5196	0.8552
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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	NA	NA	1.0789	1.2961
(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	NA	NA	1.2083	1.0810
(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	NA	NA	0.3943	1.9806
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,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]VALERIC ACID METHYL ESTER	NA	NA	1.0058	1.3622
(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	NA	NA	0.4888	1.8862
(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	NA	NA	2.3011	0.0735
(4R)-4-[(E)-4-(5-KETO-4-METHYL-TETRAHYDROFURAN-2-YL)-3-METHYL-BUT-2-ENYL]-3-METHYLENE-TETRAHYDROFURAN-2-ONE	NA	NA	0.4779	1.8966
(4R,6S)-4,6-DIHYDROXY-3-[(E)-3-HYDROXY-3-METHYL-BUT-1-ENYL]-6-METHYL-CYCLOHEX-2-EN-1-ONE	NA	NA	1.4188	0.9552
(4R,7S,7AR,12BS)-3-METHYL-2,4,4A,7,7A,13-HEXAHYDRO-1H-4,12-METHANOBENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL	NA	NA	1.3282	1.0441
(4S)-2BETA,3BETA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC ACID	NA	NA	1.2574	1.0155
(4S)-3-[(5S)-5-(4-FLUOROPHENYL)-5-HYDROXY-PENTANOYL]-4-PHENYL-OXAZOLIDIN-2-ONE	NA	NA	2.3303	0.0396
(4S)-4-AMINO-4-{[(1S)-1-CARBOXYETHYL]CARBAMOYL}BUTANOIC ACID	NA	NA	1.5801	0.7921
(4S)-4-AMINO-5-HYDROXY-VALERIC ACID	NA	NA	0.9456	1.3975
(4S,4AR,7AS,9AR)-4,6,6-TRIMETHYL-3-OXO-1,3,4,5,6,7,7A,9A-OCTAHYDROPENTALENO[1,6A-C]PYRAN-9-CARBOXYLIC ACID	NA	NA	0.4905	1.8833
(4S)-4-HYDROXY-3,5,5-TRIMETHYL-4-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXYBUT-1-ENYL]CYCLOHEX-2-EN-1-ONE	NA	NA	0.9639	1.3776
(4S,5R,6R,7S,8R)-4,6,7,8,9-PENTAHYDROXY-5-[(1-HYDROXYETHYLIDENE)AMINO]-2-OXONONANOIC ACID	NA	NA	1.3702	1.0045
(4Z)-2-METHYL-4-[(E)-2,4,8,10-TETRAMETHYL-6-METHYLOL-DODEC-2-ENYLIDENE]GLUTARIC ACID	NA	NA	1.0799	1.2950
(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID [(1R)-1-[[GLYCERYLOXY(HYDROXY)PHOSPHORYL]OXYMETHYL]-2-HEXADECANOYLOXY-ETHYL] ESTER	NA	NA	1.2056	1.1693
(4Z,7Z,10Z,13Z,16Z)-N-(2-HYDROXYETHYL)DOCOSA-4,7,10,13,16-PENTAENAMIDE	NA	NA	2.2412	0.1261
5-[[1-(2-AMINOCARBONYLPYRROLIDIN-1-YL)-3-(1H-IMIDAZOL-5-YL)-1-OXIDANYLIDENE-PROPAN-2-YL]AMINO]-4-AZANYL-5-OXIDANYLIDENE-PENTANOIC ACID	NA	NA	0.6860	1.6858
5-(1,2-DIMETHYL-4A,5-DIMETHYLOL-2,3,4,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3-METHYL-VALERIC ACID	NA	NA	2.1255	0.2442
5-(1-ADAMANTYLMETHYLAMINO)PENTYL-TRIMETHYL-AMMONIUM	NA	NA	1.5594	0.7952
5-[(1S,2R,4AR)-1,2,4A-TRIMETHYL-5-METHYLOL-2,3,4,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-3-METHYL-VALERIC ACID	NA	NA	2.3455	0.0294
5-[2-(3-FURYL)ETHYL]-5,6-DIMETHYL-8A-METHYLOL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	NA	NA	1.4805	0.8778
5-(2,5-DIHYDROXYHEXYL)TETRAHYDROFURAN-2-ONE	NA	NA	0.8126	1.5615
5-(2-AMINOETHYL)BENZENE-1,2,3-TRIOL	NA	NA	1.2133	1.1490
5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE	NA	NA	1.5421	0.8321
5-(2-METHYLPROPYL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE	NA	NA	0.5365	1.8358
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	NA	NA	0.5254	1.8471
5-(4-{2-[5-(1-HYDROXYETHYL)PYRIDIN-2-YL]ETHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE	NA	NA	0.3837	0.7471
5-(4-ACETOXY-3-HYDROXY-2,5,5,8A-TETRAMETHYL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL)-3-METHYL-VALERIC ACID	NA	NA	2.1093	0.2118
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	NA	NA	0.5382	1.8368
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	NA	NA	0.5544	1.8205
5-(4-HYDROXYPENTYL)RESORCINOL	NA	NA	1.6980	0.6713
[5-(4-METHYLPIPERAZINO)-2-NITRO-PHENYL]AMINE	NA	NA	1.3719	0.9940
5-(5-CARBOMETHOXY-5,8A-DIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-VALERIC ACID	NA	NA	2.2525	0.1210
5-(5-HYDROXY-3-METHYLOL-PENTYL)-5,6-DIMETHYL-8A-METHYLOL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	NA	NA	1.7945	0.5760
5,6,7,8-TETRAHYDROISOQUINOLINE	NA	NA	1.8699	0.5000
5-(6-HYDROXY-2,5,7,8-TETRAMETHYL-CHROMAN-2-YL)-2-METHYL-VALERIC ACID	NA	NA	1.0719	1.3025
5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-8-[(2S,3R,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL]-6-[(2S,3R,4S,5S)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL]-4H-CHROMEN-4-ONE	NA	NA	0.3121	2.0626
(5,7-DIMETHYL-4H-IMIDAZO[4,5-B]PYRIDIN-2-YL)AMINE	NA	NA	1.1074	1.2672
5,8,14-TRIAZATETRACYCLO[10.3.1.02,11.04,9]HEXADECA-2,4,6,8,10-PENTAENE	NA	NA	0.6826	1.6802
5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11.2.1.01,10.04,9]HEXADECAN-5-OL	NA	NA	0.0252	2.3496
5A-ANDROSTAN-3B-OL	NA	NA	1.1529	1.1938
5-ACETAMIDO-4-KETO-HEXANOIC ACID	NA	NA	1.3673	1.0000
5-ACETYL-2,6-DIMETHYL-2,3-DIHYDRO-1H-PYRIDIN-4-ONE	NA	NA	2.2914	0.0806
5-ACETYLAMINO-6-AMINO-3-METHYLURACIL	NA	NA	1.5225	0.8504
5-ACETYLAMINO-6-FORMYLAMINO-3-METHYLURACIL	NA	NA	1.0946	1.2726
5ALPHA-ANDROSTANE-3BETA,6ALPHA,17BETA-TRIOL	NA	NA	0.3433	2.0309
5ALPHA-DIHYDROTESOSTERONE	NA	NA	1.6035	0.7711
5ALPHA-PREGN-2-EN-20-ONE	NA	NA	1.3684	1.0064
5.ALPHA.-PREGNAN-3.ALPHA.,17-DIOL-20-ONE 3-SULFATE	NA	NA	1.4637	0.9100
5ALPHA-PREGNANE-3,20-DIONE	NA	NA	1.7730	0.6007
5ALPHA-TETRAHYDROCORTICOSTERONE	NA	NA	0.8788	1.4956
5-AMINO-3,4-DIHYDROISOCARBOSTYRIL	NA	NA	0.6719	1.6882
5-AMINOPENTANAMIDE	NA	NA	1.0289	1.3461
5-AMINOPENTANOIC ACID	NA	NA	0.3099	2.0629
5-ANDROSTENETRIOL	NA	NA	0.8376	1.5324
5-B-CHOLESTANE-3A ,7A ,12A-TRIOL	NA	NA	0.2735	2.1006
5-(BENZYLAMINO)-3H-1,3,4-THIADIAZOLE-2-THIONE	NA	NA	0.7850	0.4129
5.BETA.-ANDROST-1-EN-17.BETA.-OL-3-ONE GLUCURONIDE	NA	NA	1.1851	1.1893
5BETA-ANDROSTANE-3BETA,17BETA-DIOL	NA	NA	0.7132	1.6567
5-CHLORO-N-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL]METHYL}THIOPHENE-2-CARBOXAMIDE	NA	NA	1.3011	1.0738
5-DODECENOIC ACID	NA	NA	2.1167	0.2510
(5E)-4,7,8-TRIHYDROXY-2-(2-HYDROXYPENTYL)-9,9-DIMETHYL-3,4,7,8-TETRAHYDRO-2H-OXECIN-10-ONE	NA	NA	0.7283	1.6462
(5E)-5-(3-HYDROXYBENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE	NA	NA	1.6000	0.7743
5-[(E)-5-HYDROXY-3-METHYLOL-PENT-3-ENYL]-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBOXYLIC ACID	NA	NA	0.1304	2.2439
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE	NA	NA	1.5130	0.8617
(5E)-HEPTADECA-5,16-DIENE-1,2,4-TRIOL	NA	NA	1.0069	1.3572
5-HEXYLOXOLAN-2-ONE	NA	NA	1.5511	0.8187
5-HYDROXY-10,10-DIMETHYL-6-METHYLIDENEBICYCLO[7.2.0]UNDECAN-2-ONE	NA	NA	0.7853	1.5526
5-HYDROXY-2,3,3A,4,5,7A-HEXAHYDRO-1H-ISOINDOLE-1,3-DIONE	NA	NA	1.2518	1.1137
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	NA	NA	0.3033	2.0715
5-HYDROXY-7-(4-HYDROXY-3-METHOXY-PHENYL)-1-(4-HYDROXYPHENYL)HEPTAN-3-ONE	NA	NA	1.7717	0.6001
5-HYDROXYADAMANTAN-2-ONE	NA	NA	1.4659	0.9056
5-HYDROXYINDOLEACETIC ACID	NA	NA	1.6769	0.6975
5-HYDROXYLYSINE	NA	NA	0.4265	1.9426
5-(HYDROXYMETHYL)-4-(METHOXYMETHYL)-2-METHYLPYRIDIN-3-OL	NA	NA	2.1880	0.1661
5-(HYDROXYMETHYL)FURAN-2-CARBALDEHYDE	NA	NA	1.5758	0.7414
5-ISOCHROMAN-1-YL-3H-1,3,4-OXADIAZOLE-2-THIONE	NA	NA	1.6134	0.7597
5-METHOXY-2-METHYLOL-PYRAN-4-ONE	NA	NA	0.6392	1.7182
5-METHYL-4-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-YL]BENZENE-1,3-DIOL	NA	NA	1.1633	1.1833
5-(METHYLAMINO)-1-(3-PYRIDYL)PENTAN-1-ONE	NA	NA	0.5003	1.8747
5-METHYLPYRAZINIC ACID METHYL ESTER	NA	NA	1.4822	0.8206
5-OCTYLOXOLAN-2-ONE	NA	NA	2.0806	0.2821
5-OXIDANYL-3,4-DIHYDRO-1H-QUINOLIN-2-ONE	NA	NA	2.2632	0.1056
5-OXO-D-PROLINE	NA	NA	1.6003	0.7744
5-OXO-ETE	NA	NA	0.9874	1.3828
5-PHENYL-1,2-OXAZOL-3-OL	NA	NA	1.8804	0.4933
5-PHENYLOXAZOLIDIN-2-ONE	NA	NA	1.4029	0.9720
(5R)-5-(4-METHOXY-3-PROPOXYPHENYL)-5-METHYL-1,3-OXAZOLIDIN-2-ONE	NA	NA	1.4517	0.9185
(5R)-5-HYDROXY-4-{(2R,6R)-6-HYDROXY-5-[(3E)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)HEX-3-EN-1-YL]-3,6-DIHYDRO-2H-PYRAN-2-YL}FURAN-2(5H)-ONE	NA	NA	1.7203	0.6543
(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	NA	NA	0.6736	1.7014
(5S,8R,9S,10S,13S,14S)-10,13-DIMETHYL-1,4,5,6,7,8,9,11,12,14,15,16-DODECAHYDROCYCLOPENTA[A]PHENANTHREN-17-ONE	NA	NA	1.2512	1.1152
(5S,9R)-5,9-DIMETHYL-14-METHYLOL-TETRACYCLO[11.2.1.01,10.04,9]HEXADEC-14-ENE-5-CARBOXYLIC ACID	NA	NA	2.2543	0.1192
5-TETRADECYNOIC ACID	NA	NA	1.3391	1.0350
5-(TRIMETHYLAMMONIO)VALERATE	NA	NA	1.4757	0.8991
5-UREIDOVALERIC ACID	NA	NA	1.3005	1.0651
(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	NA	NA	1.8988	0.4757
(5Z)-5-HEX-2-YNYLIDENEFURAN-2-ONE	NA	NA	1.4002	0.8393
5-[(Z)-5-HYDROXY-3-METHYL-PENT-3-ENYL]-1,4A-DIMETHYL-6-METHYLENE-DECALIN-1-CARBOXYLIC ACID	NA	NA	1.4277	0.9468
(5Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-OXODECYL)CYCLOPENTYL]HEPT-5-ENOIC ACID	NA	NA	1.3247	1.0499
(5Z,8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-5,8,11-TRIENOIC ACID METHYL ESTER	NA	NA	1.0204	1.3521
(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOIC ACID METHYL ESTER	NA	NA	0.9539	1.4207
(5Z,8Z,11Z)-EICOSA-5,8,11-TRIENOIC ACID METHYL ESTER	NA	NA	0.8689	1.5060
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	NA	NA	1.4185	0.9564
6-(2,3-DIHYDROXY-3-METHYL-BUTOXY)-4-METHOXY-5-METHYL-PHTHALIDE	NA	NA	1.9839	0.3908
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	NA	NA	1.8929	0.4818
6-(2-HYDROXY-1-METHYL-PROPYL)-4-METHOXY-5-METHYLOL-PYRAN-2-ONE	NA	NA	1.6723	0.6551
6-(2-HYDROXY-4-METHYLPHENYL)-2-METHYLHEPT-2-EN-4-ONE	NA	NA	1.1390	1.2016
6-[[(2R,3R,6AR,6BS,8AS,12AS,14BR)-2-HYDROXY-4,4,6A,6B,11,11,14B-HEPTAMETHYL-8A-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXYCARBONYL-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	NA	NA	1.4562	0.9180
6-[4-[2-(2-HYDROXYETHOXY)ETHYL]PIPERAZINO]BENZO[B][1,4]BENZOTHIAZEPIN-2-OL	NA	NA	0.1574	2.2174
6-(6-AMINOHEXANAMIDO)HEXANOIC ACID	NA	NA	0.6828	1.6010
6,7,8,3^,4^-PENTAMETHOXYISOFLAVANQUINONE	NA	NA	1.2912	1.0432
6,7-DIHYDRO-5H-ISOQUINOLIN-8-ONE	NA	NA	0.0220	2.3524
6,7-DIHYDROXY-3-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE	NA	NA	1.3408	1.0318
6,8-DIHYDROXY-8A-METHYL-3,5-DIMETHYLENE-3A,4,4A,6,7,8,9,9A-OCTAHYDROBENZO[F]BENZOFURAN-2-ONE	NA	NA	0.4321	1.9424
6-AMINO-1-BENZYL-PYRIMIDINE-2,4-QUINONE	NA	NA	1.2559	1.0776
6-AMYL-4-HYDROXY-TETRAHYDROPYRAN-2-ONE	NA	NA	0.4049	1.9603
6-AMYL-4-KETO-2-METHYL-CYCLOHEX-2-ENE-1-CARBOXYLIC ACID ETHYL ESTER	NA	NA	1.1116	1.2543
(6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-METHOXY-6,6,9-TRIMETHYL-6A,7,10,10A-TETRAHYDROBENZO[C]CHROMENE	NA	NA	1.0401	1.3341
(6AR,9R)-N,7-DIMETHYL-N-PROPYL-6,6A,8,9-TETRAHYDRO-4H-INDOLO[4,3-FG]QUINOLINE-9-CARBOXAMIDE	NA	NA	1.9171	0.4071
(6AS)-1,2,11-TRIMETHOXY-6-METHYL-5,6,6A,7-TETRAHYDRO-4H-DIBENZO[DE,G]QUINOLIN-10-OL	NA	NA	1.9387	0.4353
(6BR,10R,12AR,14BS)-2,2,6A,6B,9,9,12A-HEPTAMETHYL-10,11-BIS(OXIDANYL)-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID	NA	NA	2.0277	0.3464
6-BUTYLOXAN-2-ONE	NA	NA	2.3285	0.0256
(6E,10E)-3,7,11,15-TETRAMETHYLHEXADECA-1,6,10,14-TETRAEN-3-OL	NA	NA	0.0188	2.3561
(6E,10E)-3,7,11,15-TETRAMETHYLHEXADECA-1,6,10,14-TETRAENE-3,5,9-TRIOL	NA	NA	2.3137	0.0572
[(6E,10Z)-10-(ACETYLOXYMETHYL)-6-FORMYL-3-METHYLIDENE-2-OXO-3A,4,5,8,9,11A-HEXAHYDROCYCLODECA[B]FURAN-4-YL] 2-METHYLBUTANOATE	NA	NA	0.1901	2.1845
(6E,10Z,14E)-2-KETO-6,14-DIMETHYL-3-METHYLENE-3A,4,5,8,9,12,13,15A-OCTAHYDROCYCLOTETRADECA[B]FURAN-10-CARBOXYLIC ACID	NA	NA	1.6916	0.6819
6-[(E)-2,8-DIHYDROXY-5,7-DIMETHYL-NON-5-ENYL]-4-HYDROXY-3-METHYL-PYRAN-2-ONE	NA	NA	0.9627	1.4070
(6E)-7-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)HEPT-6-EN-1-ONE	NA	NA	2.1817	0.1920
(6E,8E)-3-HYDROXY-10-KETO-4,9-DIMETHYL-10-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-DECA-6,8-DIENOIC ACID	NA	NA	1.1260	1.2147
(6E)-HEPTADECA-6,16-DIENE-1,2,4-TRIOL	NA	NA	0.6394	1.7342
6-HEPTYLOXAN-2-ONE	NA	NA	1.2218	1.1441
6-HYDROXY-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-HYDROXY-3-KETO-2,6,6-TRIMETHYL-CYCLOHEXEN-1-YL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15,17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-EN-1-ONE	NA	NA	0.2776	2.0962
6-HYDROXY-3-ISOPROPENYL-5-METHYL-4A-METHYLOL-3,4,5,6,7,8-HEXAHYDRONAPHTHALEN-2-ONE	NA	NA	1.4246	0.9403
6-HYDROXY-4,4,7A-TRIMETHYL-6,7-DIHYDRO-5H-BENZOFURAN-2-ONE	NA	NA	1.6979	0.6720
6-HYDROXY-6-(3-HYDROXY-2,3-DIMETHYL-CYCLOPENTYL)-2-METHYL-ENANTHIC ACID	NA	NA	2.2327	0.1225
6-HYDROXYLUTEOLIN 5,6,7,4^-TETRAMETHYL ETHER	NA	NA	0.9699	1.4046
6-HYDROXYMELATONIN	NA	NA	1.1278	1.2465
6-HYDROXYNICOTINIC ACID	NA	NA	1.7076	0.6647
6-HYDROXYTETRALIN-1-ONE	NA	NA	1.3109	1.0537
6-KETOESTRIOL	NA	NA	1.9737	0.3989
6-MALEIMIDOHEXANOIC ACID	NA	NA	0.2162	2.1573
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-1-OXIDOPYRIDIN-1-IUM-2-YL)METHYLSULFINYL]-1H-BENZIMIDAZOLE	NA	NA	1.4268	0.8829
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-1-OXIDO-PYRIDIN-1-IUM-2-YL)METHYLSULFONYL]-1H-BENZIMIDAZOLE	NA	NA	2.1928	0.1803
6-METHOXY-2-[(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYLTHIO]-1H-BENZIMIDAZOLE	NA	NA	0.4020	1.9724
6-METHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-7-OL	NA	NA	2.2793	0.0922
6-METHYLOLPYRIDIN-3-OL	NA	NA	1.4702	0.8989
6-METHYLPYRIDIN-3-OL	NA	NA	1.2501	1.1234
6-METHYLSULFINYLHEXANENITRILE	NA	NA	1.4709	0.8524
6-OCTYLTETRAHYDROPYRAN-2-ONE	NA	NA	1.9316	0.4430
6-OXO-OCTADECANOIC ACID	NA	NA	2.1719	0.2021
6-PHENYLTHIOMORPHOLIN-3-ONE	NA	NA	0.8233	1.5516
6-PIPERAZINOBENZO[B][1,4]BENZOTHIAZEPINE	NA	NA	0.9859	1.3884
6-PROPYLOXAN-2-ONE	NA	NA	1.4513	0.7293
(6S)-2-METHYL-6-(4-METHYLPHENYL)HEPT-2-EN-4-ONE	NA	NA	0.3503	2.0238
6Z,9Z,12Z,15Z,18Z-HENEICOSAPENTAENOIC ACID	NA	NA	0.9770	1.3965
(6Z,9Z,12Z,15Z)-OCTADECA-6,9,12,15-TETRAENOIC ACID METHYL ESTER	NA	NA	0.9120	1.4620
(6Z,9Z,12Z)-OCTADECA-6,9,12-TRIENOIC ACID METHYL ESTER	NA	NA	1.1903	1.1847
7,18-DIHYDROXYKAURENOLIDE	NA	NA	1.9254	0.4488
7-(1-HYDROXY-1-METHYL-ETHYL)-1,4A-DIMETHYL-DECALIN-1-OL	NA	NA	0.3837	0.5535
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,3S)-3-HYDROXYOCT-1-ENYL]-5-KETO-CYCLOPENTYL]ENANTHIC ACID ETHYL ESTER	NA	NA	2.2594	0.1148
7-[(1R,2R,3R)-3-HYDROXY-2-[(E,4S)-4-HYDROXY-4-(1-PROPYLCYCLOBUTYL)BUT-1-ENYL]-5-KETO-CYCLOPENTYL]ENANTHIC ACID	NA	NA	1.6455	0.7220
7-[(1S,2S)-2-[(1E,3S)-3-HYDROXYOCT-1-EN-1-YL]-5-OXOCYCLOPENT-3-EN-1-YL]HEPTANOIC ACID	NA	NA	0.3875	1.9873
7-[2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID	NA	NA	0.7778	1.5971
7-[(2E,5E)-7-HYDROXY-3,7-DIMETHYL-OCTA-2,5-DIENOXY]COUMARIN	NA	NA	1.5969	0.7084
7-[(2R)-5-OXIDANYL-3-OXIDANYLIDENE-2-(3-OXIDANYLIDENEOCTYL)CYCLOPENTYL]HEPTANOIC ACID	NA	NA	1.6973	0.6764
7-[3,5-DIHYDROXY-2-[(E)-3-HYDROXYOCT-1-ENYL]CYCLOPENTYL]-3-METHOXY-ENANTHIC ACID	NA	NA	0.6114	1.7630
[7,7,12,16-TETRAMETHYL-15-(6-METHYLHEPT-5-EN-2-YL)-6-PENTACYCLO[9.7.0.01,3.03,8.012,16]OCTADECANYL] ETHANOATE	NA	NA	0.2573	2.1172
7,8-DIAMINONONANOIC ACID	NA	NA	0.1115	2.2436
7,8-DIHYDROXY-3,5,7-TRIMETHYL-8,8A-DIHYDRO-1H-ISOCHROMEN-6-ONE	NA	NA	1.7561	0.5780
7,8-DIMETHOXY-1,3-DIHYDRO-3-BENZAZEPIN-2-ONE	NA	NA	1.3921	0.9765
7ALPHA,12ALPHA-DIHYDROXYCHOLEST-4-EN-3-ONE	NA	NA	0.9874	1.3761
7ALPHA,24S-DIHYDROXY-4-CHOLESTEN-3-ONE	NA	NA	0.9071	1.4665
7ALPHA,24S-DIHYDROXYCHOLESTEROL	NA	NA	0.2094	2.1638
7ALPHA,25-DIHYDROXYCHOLESTEROL	NA	NA	0.9053	1.4627
7-(DIMETHYLAMINO)-4-METHYL-COUMARIN	NA	NA	1.3313	1.0435
7-HYDROXY-2,2-DIMETHYL-COUMARAN-3-ONE	NA	NA	2.2604	0.1088
7-METHYL-7H-PURIN-6-AMINE	NA	NA	1.2909	1.0799
7-METHYLGUANINE	NA	NA	1.5041	0.8709
7-METHYLINDANE-4-CARBOXYLIC ACID ETHYL ESTER	NA	NA	2.0481	0.3129
7-METHYLURIC ACID	NA	NA	1.4230	0.9520
7-METHYLXANTHINE	NA	NA	1.0730	1.3009
7-OXO-CHOLESTEROL	NA	NA	1.0336	1.3316
(7Z,10Z,13Z,16Z,19Z)-N-(2-HYDROXYETHYL)DOCOSA-7,10,13,16,19-PENTAENAMIDE	NA	NA	1.1272	1.2024
8-[(1~{S},5~{R})-4-KETO-5-[(~{Z})-PENT-2-ENYL]CYCLOPENT-2-EN-1-YL]CAPRYLIC ACID	NA	NA	1.7810	0.5933
8-[2-[(E)-3-HYDROXYPENT-1-ENYL]-5-KETO-CYCLOPENT-3-EN-1-YL]CAPRYLIC ACID	NA	NA	1.0030	1.3608
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	NA	NA	0.0317	2.3421
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ACID	NA	NA	1.3808	0.9921
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID	NA	NA	1.4467	0.9177
8-[4,5-DIHYDROXY-6-METHYLOL-3-(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROPYRAN-2-YL]-7-HYDROXY-2-(4-HYDROXYPHENYL)-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-CHROMONE	NA	NA	0.0634	2.3102
8-ACETAMIDO-7-KETO-2-METHYL-PELARGONIC ACID	NA	NA	0.4954	1.8139
8-ACETYL-6,7-DIMETHOXY-COUMARIN	NA	NA	0.0143	2.3606
8-BROMOCAPRYLIC ACID ETHYL ESTER	NA	NA	1.0762	1.0906
8-HYDROXY-2,10,10-TRIMETHYL-TRICYCLO[6.3.0.01,5]UNDEC-6-ENE-6-CARBOXYLIC ACID	NA	NA	1.6404	0.6796
8-HYDROXY-5-QUINOLINECARBOXYLIC ACID	NA	NA	1.6123	0.7603
8-HYDROXY-8-(3-OCTYLOXIRAN-2-YL)CAPRYLIC ACID	NA	NA	1.1802	1.1943
8-ISOPROPYL-4,11-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0.04,6]DODECAN-7-OL	NA	NA	1.6698	0.6512
8-METHYL-8-AZABICYCLO[3.2.1]OCT-2-ENE-2-CARBOXYLIC ACID METHYL ESTER	NA	NA	1.1636	1.1801
8-OXO-NONANOIC ACID	NA	NA	0.1909	2.1834
(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	NA	NA	1.4038	0.9707
8-TRICYCLO[5.2.1.02,6]DECANYLAMINE	NA	NA	1.1323	1.2415
(8Z,11Z)-13-(3-AMYLOXIRAN-2-YL)TRIDECA-8,11-DIENOIC ACID	NA	NA	1.2114	1.1484
(8Z,11Z,14Z)-EICOSA-8,11,14-TRIENOIC ACID ETHYL ESTER	NA	NA	1.1418	1.2303
(8Z,14Z)-EICOSA-8,14-DIENOIC ACID	NA	NA	1.7449	0.5691
9-[2-(ETHOXYCARBONYL)PHENYL]-3,6-BIS(ETHYLAMINO)-2,7-DIMETHYLXANTHENIUM	NA	NA	1.0040	1.3305
9-[(2R,3R,5S)-3-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-2-IMINO-3,9-DIHYDRO-2H-PURIN-6-OL	NA	NA	2.0506	0.3091
9-[(2R,5R)-4-HYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]HYPOXANTHINE	NA	NA	2.1597	0.2149
9-[3,4-DIHYDROXY-5-(METHOXYMETHYL)TETRAHYDROFURAN-2-YL]-3H-PURIN-6-ONE	NA	NA	2.2335	0.1409
(9E,11Z)-8-HYDROXYOCTADECA-9,11-DIENOIC ACID	NA	NA	2.0030	0.3642
9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID ETHYL ESTER	NA	NA	1.4992	0.8597
9-HYDROXY-7-(2-HYDROXYPROPAN-2-YL)-1,4A-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-1-CARBOXYLIC ACID	NA	NA	1.4786	0.8956
9-HYDROXYFLUORENE-9-CARBOXYLIC ACID ETHYL ESTER	NA	NA	0.4822	1.8915
9-HYDROXY-NONANOIC ACID	NA	NA	1.9104	0.4639
9-METHOXY-2,2-DIMETHYL-6H-PYRANO[3,2-C]QUINOLIN-5-ONE	NA	NA	1.3664	1.0083
9-OXO-11S,15S-DIHYDROXY-13E-PROSTAENOIC ACID	NA	NA	1.9920	0.3820
9-OXOODE	NA	NA	1.1994	1.1711
(9R,10S)-9,10,16-TRIHYDROXYPALMITIC ACID	NA	NA	1.1182	1.2395
(9Z,11E,13E,15Z)-OCTADECA-9,11,13,15-TETRAENOIC ACID METHYL ESTER	NA	NA	1.3737	0.9994
(9Z,11E,13E)-OCTADECA-9,11,13-TRIENOIC ACID METHYL ESTER	NA	NA	1.2150	1.1591
9Z,11E,13E-OCTADECATRIENOIC ACID	NA	NA	1.8121	0.5520
(9Z,12E)-15,16-DIHYDROXYOCTADECA-9,12-DIENOIC ACID	NA	NA	2.0847	0.2890
9Z,12E-TETRADECADIEN-1-OL	NA	NA	1.9813	0.3932
(9Z,12Z,14E)-16-KETOOCTADECA-9,12,14-TRIENOIC ACID	NA	NA	1.7906	0.5797
(9Z,12Z)-15-HYDROXYOCTADECA-9,12-DIENOIC ACID	NA	NA	2.0567	0.3134
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID [(2R)-3-[GLYCERYLOXY(HYDROXY)PHOSPHORYL]OXY-2-[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYL]OXY-PROPYL] ESTER	NA	NA	1.5275	0.8434
(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOIC ACID ETHYL ESTER	NA	NA	1.3352	1.0384
(9Z,12Z)-16-METHOXY-15-OXIDANYL-OCTADECA-9,12-DIENOIC ACID	NA	NA	1.0873	1.2566
(9Z,12Z)-6,8-DIHYDROXYOCTADECA-9,12-DIENOIC ACID	NA	NA	0.5881	1.7800
(9Z,12Z)-8-HYDROXYOCTADECA-9,12-DIENOIC ACID	NA	NA	1.5763	0.7741
(9Z,12Z)-OCTADECA-9,12-DIEN-1-OL	NA	NA	1.2053	1.1695
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [2-HYDROXY-3-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PROPYL] ESTER	NA	NA	1.4797	0.8952
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID [3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] ESTER	NA	NA	0.9552	1.4197
(9Z,12Z)-OCTADECA-9,12-DIENOIC ACID ISOPROPYL ESTER	NA	NA	1.2544	1.1202
(9Z,14Z)-12,13,16-TRIHYDROXYOCTADECA-9,14-DIENOIC ACID METHYL ESTER	NA	NA	1.9000	0.4731
ABRINE	NA	NA	0.9254	1.4485
ABSCISIC ACID	NA	NA	0.4809	1.8926
ACETIC ACID [(1R,2S,5E,9E,12S)-12-ISOPROPYL-1,5,9-TRIMETHYL-15-OXABICYCLO[10.2.1]PENTADECA-5,9-DIEN-2-YL] ESTER	NA	NA	1.3642	0.9931
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	NA	NA	1.0751	1.2995
ACETIC ACID [(1S,3R)-1-[(2R)-3,3-DIMETHYLOXIRAN-2-YL]-3-[(5R,8S,9S,10S,11S,14R)-11-HYDROXY-3-KETO-4,4,8,10,14-PENTAMETHYL-1,2,5,6,7,9,11,12,15,16-DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]BUTYL] ESTER	NA	NA	0.8724	1.5025
ACETIC ACID [(1S,5S,8S,9S,10S,13S,14S,17S)-1-HYDROXY-10,13-DIMETHYL-4,5,6,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL] ESTER	NA	NA	0.6864	1.6843
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	NA	NA	1.6307	0.7440
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	NA	NA	0.7272	1.5155
ACETIC ACID (2,4-DIMETHYLCYCLOHEXYL)METHYL ESTER	NA	NA	0.3546	2.0191
ACETIC ACID [(2E,6Z,10Z)-7,11-BIS(ACETOXYMETHYL)-3,15-DIMETHYL-HEXADECA-2,6,10,14-TETRAENYL] ESTER	NA	NA	0.8340	1.5388
ACETIC ACID [2-KETO-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-TRIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL]ETHYL] ESTER	NA	NA	0.2739	2.1007
ACETIC ACID [(2R)-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)CHROMAN-6-YL] ESTER	NA	NA	1.6468	0.7279
ACETIC ACID [(2R,3R,4R,5S,6S)-3,4,6-TRIACETYLOXY-5-HYDROXY-2-OXANYL]METHYL ESTER	NA	NA	1.4359	0.8834
ACETIC ACID [(2S,3S)-4-KETO-2-(4-METHOXYPHENYL)-5-[2-(METHYLAMINO)ETHYL]-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-3-YL] ESTER	NA	NA	2.2906	0.0844
ACETIC ACID [(2S,4S)-2,4-DIHYDROXYHEPTADEC-16-ENYL] ESTER	NA	NA	0.7468	1.6280
ACETIC ACID [(3S,4AR,6AR,6BS,8AR,12AR,14AR,14BR)-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL] ESTER	NA	NA	0.9111	1.4633
ACETIC ACID [(3S,8S,9R,10R,14R)-9,10,19-TRIHYDROXY-5-METHYL-12-METHYLENE-7-AZAHEPTACYCLO[9.6.2.01,8.05,17.07,16.09,14.014,18]NONADECAN-3-YL] ESTER	NA	NA	1.2830	1.0747
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	NA	NA	1.9709	0.3932
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	NA	NA	1.1507	1.1463
ACETIC ACID [5-(7-KETO-5,5,8A-TRIMETHYL-2-METHYLENE-DECALIN-1-YL)-3-METHYL-PENTYL] ESTER	NA	NA	1.3576	1.0170
ACETOPHENONE	NA	NA	1.0004	1.2969
ACETYL-N-FORMYL-5-METHOXYKYNURENAMINE	NA	NA	1.4673	0.9050
ACEXAMIC ACID	NA	NA	0.8443	1.3867
ADAMANTAN-2-ONE	NA	NA	1.0327	1.3341
ADENINE	NA	NA	1.8663	0.4966
ADENOSINE	NA	NA	1.9706	0.3275
ADRENOSTERONE	NA	NA	1.8237	0.5467
ALA PRO	NA	NA	0.6736	1.7012
ALA-VAL	NA	NA	0.7628	1.6121
ALFAXALONE	NA	NA	1.4372	0.9334
ALLOXYDIM	NA	NA	1.8790	0.4917
ALPHA-D-MANNOPYRANOSYL-(1->2)-D-MANNOPYRANOSE	NA	NA	0.4265	1.9485
ALPHA-HYDROXYMETOPROLOL	NA	NA	2.0934	0.2641
ALPHA-LINOLENOYL-EA	NA	NA	0.3836	1.9912
ALPHA-N-PHENYLACETYLGLUTAMINE	NA	NA	0.3341	2.0409
ALPHA-PINENE-OXIDE	NA	NA	0.2237	2.1382
ALPHA-TOCOPHEROL	NA	NA	0.3543	2.0097
AMINOCAPROIC ACID	NA	NA	1.7158	0.6523
AMINOMETHYLBENZOIC ACID	NA	NA	1.4139	0.9066
ANDROSTENEDIOL	NA	NA	1.2413	1.1332
ANDROSTERONE	NA	NA	2.3340	0.0410
ANSERINE	NA	NA	1.4348	0.9401
APHIDICOLIN	NA	NA	1.4790	0.8873
APIGENIN	NA	NA	0.1636	2.2114
APIIN	NA	NA	0.1082	2.2667
ARABITOL	NA	NA	0.8601	1.5111
ARACHIDONOYL-EA	NA	NA	0.8990	1.4746
ARGININE	NA	NA	1.6158	0.7509
ATORVASTATIN	NA	NA	1.2813	1.0937
AZELAIC ACID	NA	NA	1.5823	0.7189
BEHENOYL-EA	NA	NA	1.2192	1.0437
BENZAMIDE	NA	NA	1.1271	1.2344
BENZOIC ACID [2-OXO-2-(2,4,6-TRIHYDROXYPHENYL)ETHYL] ESTER	NA	NA	1.3916	0.9527
BENZOIC ACID [(3R,4R)-4-HYDROXY-8-KETO-6-METHYL-1-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-7-OXATRICYCLO[4.3.0.03,9]NONAN-9-YL]METHYL ESTER	NA	NA	1.9579	0.4106
BENZOIC ACID (5-BENZOYLOXY-4,6-DIHYDROXY-3-METHOXY-CYCLOHEXEN-1-YL)METHYL ESTER	NA	NA	0.7386	0.9176
BENZOIC ACID (9B-HYDROXY-3-KETO-6,9A-DIMETHYL-6-METHYLOL-1,5,5A,7,8,9-HEXAHYDROBENZ[E]ISOBENZOFURAN-5-YL) ESTER	NA	NA	2.2842	0.0908
BENZYL BUTYL PHTHALATE	NA	NA	1.1583	1.1979
BENZYL-DIMETHYL-MYRISTYL-AMMONIUM	NA	NA	1.8050	0.5665
BENZYL-METHYL-(4-PIPERIDYL)AMINE	NA	NA	0.9153	1.2828
BENZYL(PHENYL)AMINE	NA	NA	1.0880	1.0736
(BETA,6ALPHA,12BETA)-3,6,12-TRIHYDROXYDAMMAR-24-EN-20-YL BETA-D-GLUCOPYRANOSIDE	NA	NA	0.9132	1.4561
BETA,BETA-DIMETHYL ACRYLIC ACID	NA	NA	0.9219	1.3772
BETA-MURICHOLIC ACID	NA	NA	0.5358	1.8389
BILIRUBIN	NA	NA	1.0850	1.2899
BILIVERDIN	NA	NA	2.3667	0.0083
BIOPTERIN	NA	NA	1.6476	0.7263
BIOTIN	NA	NA	1.8978	0.4771
BIS(3-AMINOPROPYL)AMINE	NA	NA	0.9946	1.3797
BISABOLOL OXIDE A	NA	NA	0.9467	1.4111
BOC-HIS-OH	NA	NA	0.6932	1.6785
BUCHARAINE	NA	NA	1.8881	0.4853
BUFOTENIN	NA	NA	1.6348	0.7350
BUTYRIC ACID (1-METHYLINDOL-3-YL) ESTER	NA	NA	1.1400	1.2197
C17 SPHINGANINE	NA	NA	2.2069	0.1536
CADAVERINE	NA	NA	1.2985	1.0733
CAFFEINE	NA	NA	1.3686	1.0058
CAR(10:0)	NA	NA	0.0806	2.2915
CAR 10:2	NA	NA	0.9373	1.4198
CAR(6:0)	NA	NA	0.4799	1.8526
CAR(7:0)	NA	NA	0.5395	1.8218
CAR(8:0)	NA	NA	0.4140	1.9472
CAR 8:1	NA	NA	0.1440	2.2275
CAR(DC5:0(3ME))	NA	NA	1.0088	1.3261
CARNITINE	NA	NA	1.3269	1.0447
CARNOSINE	NA	NA	1.4934	0.8807
CARYOPHYLLENE OXIDE	NA	NA	1.1302	1.2351
CATECHIN 7-O-APIOFURANOSIDE	NA	NA	2.0997	0.2743
CER 17:1;2O/16:0	NA	NA	1.5412	0.8325
CER 18:1;2O/18:2	NA	NA	2.1010	0.2739
CER 18:1;2O/20:3	NA	NA	1.3061	1.0687
CER 18:1;2O/24:1	NA	NA	1.2302	1.1446
CER 18:1;3O/16:0;(2OH)	NA	NA	1.3538	1.0205
CER 18:1;3O/24:0;(2OH)	NA	NA	1.1915	1.1831
CER 18:2;2O/18:2	NA	NA	0.2762	2.0987
CER(D18:0/14:0)	NA	NA	1.4200	0.9544
CER(D18:0/16:0)	NA	NA	1.3351	1.0398
CER(D18:0/18:1)	NA	NA	1.4807	0.8936
CER(D18:0/24:1)	NA	NA	1.2909	1.0836
CER(D18:1/16:0)	NA	NA	1.3113	0.9626
CER(D18:1/18:0)	NA	NA	1.2514	1.1222
CER(D18:1/18:1)	NA	NA	1.0230	1.3519
CER(D18:1/20:0)	NA	NA	1.1591	1.2155
CHALEPENSIN	NA	NA	2.0371	0.3173
CHAPS	NA	NA	2.2227	0.1521
CHENODEOXYCHOLIC ACID	NA	NA	1.6481	0.7263
CHOLESTENONE	NA	NA	1.7924	0.5826
CHOLESTEROL	NA	NA	1.6549	0.7192
CHOLIC ACID	NA	NA	0.7483	1.6266
CHROMAN-4-ONE	NA	NA	0.8367	1.5356
CICLOPIROX	NA	NA	1.7056	0.6635
CINNAMALDEHYDE	NA	NA	1.4126	0.9239
CIS-GONDOIC ACID	NA	NA	1.1985	1.1652
CIS-JASMONE	NA	NA	2.2512	0.0863
CIS-VACCENIC ACID	NA	NA	1.5582	0.8149
CITRULLINE	NA	NA	1.1370	1.2368
CLOMIPRAMINE N-OXIDE	NA	NA	0.9987	1.1405
CLOXIQUINE	NA	NA	2.3689	0.0055
CONESSINE	NA	NA	2.0428	0.3234
COPROCHOLIC ACID	NA	NA	1.2498	1.1252
COROSOLIC ACID	NA	NA	0.8079	1.5665
COTININE	NA	NA	1.5116	0.8629
COUMAFURYL	NA	NA	1.6567	0.7097
CREATININE	NA	NA	0.6299	1.7444
CROTONIC ACID	NA	NA	1.5578	0.7689
CURAN	NA	NA	1.5889	0.7835
CYCLIC ADP-RIBOSE	NA	NA	0.4832	1.8914
CYCLOHEXYL-(2-NITROPHENYL)AMINE	NA	NA	1.3170	1.0231
CYCLOHEXYL(7H-PURIN-6-YL)AMINE	NA	NA	1.8296	0.5336
CYTIDINE	NA	NA	2.2624	0.1098
CYTISINE	NA	NA	1.4875	0.8826
DAIDZEIN	NA	NA	0.1158	2.2592
DAMP	NA	NA	1.9208	0.4534
DEC-9-YN-1-OL	NA	NA	0.2237	2.1513
DECAHYDRO-2-NAPHTHALENECARBOXYLIC ACID	NA	NA	1.6999	0.6506
DEMISSIDINE	NA	NA	2.0412	0.3337
DEOXYADENOSINE	NA	NA	2.1245	0.1396
DEOXYCHOLIC ACID	NA	NA	1.8660	0.5090
DETHIOBIOTIN	NA	NA	1.7649	0.6096
DG 16:0_24:6	NA	NA	1.4893	0.8853
DG 18:0_20:3	NA	NA	1.3531	0.9114
DG 18:0_26:6	NA	NA	0.8740	1.5000
DG 18:1_26:7	NA	NA	1.4973	0.8773
DGDG O-22:6_2:0	NA	NA	1.0322	1.3427
DG O-18:0_18:1	NA	NA	1.0743	1.3003
DG O-18:1_18:1	NA	NA	1.8496	0.5244
DHA	NA	NA	0.4121	1.8951
DIALLYLCYANAMIDE	NA	NA	1.0808	1.2848
DIAZEPAM	NA	NA	1.0806	1.2940
DIBENZO[B,D]IODOLIUM	NA	NA	1.0911	1.2833
DIBUTYL PHTHALATE	NA	NA	1.0709	0.7443
DIDODECYL THIOBISPROPANOATE	NA	NA	0.9412	0.9966
DIHYDROTHYMINE	NA	NA	0.8262	1.5478
DIISODECYL PHTHALATE	NA	NA	0.1562	2.1862
DILTIAZEM	NA	NA	2.1226	0.2523
DIMETHYL[1-(10H-PHENOTHIAZIN-10-YL)PROPAN-2-YL]AMINE	NA	NA	1.9888	0.3860
DIMETHYLARGININE	NA	NA	0.8866	1.4884
DIMETHYLBENZIMIDAZOLE	NA	NA	1.9045	0.2100
DIMETHYL SUBERATE	NA	NA	1.1601	1.1823
DIOCTYL PHTHALATE	NA	NA	0.5853	1.5277
DIPHENHYDRAMINE	NA	NA	1.2482	1.1267
DIPHENYL(4-PIPERIDINYL)METHANOL	NA	NA	0.2430	2.1203
DL-THREONINE	NA	NA	1.3944	0.9732
DODECANEDIOIC ACID	NA	NA	2.2952	0.0749
DOMOIC ACID	NA	NA	2.1891	0.1856
(E)-1,7-BIS(3,4-DIHYDROXYPHENYL)HEPT-4-EN-3-ONE	NA	NA	0.8377	0.9122
(E)-2-[2-[(1R,2R,8AR)-1-HYDROXY-2,5,5,8A-TETRAMETHYL-DECALIN-1-YL]ETHYL]BUT-2-ENE-1,4-DIOL	NA	NA	2.0594	0.3156
(E)-2-CYANO-3-(3,4-DIHYDROXYPHENYL)ACRYLAMIDE	NA	NA	1.7753	0.5987
(E)-2-DECYLPENT-2-ENEDIOIC ACID	NA	NA	1.6684	0.4716
(E,2S)-2-AMINOHEPTADEC-4-ENE-1,3-DIOL	NA	NA	0.5485	1.8264
(E)-3-(1,3-BENZODIOXOL-5-YL)ACROLEIN	NA	NA	1.1377	1.2363
(E)-3-(1-HYDROXY-4-KETO-6-METHOXY-CYCLOHEX-2-EN-1-YL)ACRYLIC ACID METHYL ESTER	NA	NA	1.4369	0.9312
(E)-3-[(2R,3S)-7-METHOXY-2-[3-METHOXY-4-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-PHENYL]-3-METHYLOL-COUMARAN-5-YL]ACRYLIC ACID	NA	NA	2.0366	0.3373
(E)-3-(4-HYDROXY-3,5-DIMETHOXY-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	NA	NA	2.0202	0.3547
(E)-3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)ACRYLIC ACID ETHYL ESTER	NA	NA	1.3414	1.0325
(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	NA	NA	0.0506	2.3220
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [3,4-DIHYDROXY-5-METHYLOL-5-(3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL)OXY-TETRAHYDROFURAN-2-YL]METHYL ESTER	NA	NA	0.0650	2.3087
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID ETHYL ESTER	NA	NA	0.9645	1.4101
(E)-3-(4-METHOXYPHENYL)-1-PHENYL-PROP-2-EN-1-ONE	NA	NA	2.0764	0.2984
(E)-3-[5-[(E)-4-HYDROXY-3-METHYL-BUT-2-ENYL]-1-METHYL-IMIDAZOL-4-YL]ACRYLIC ACID METHYL ESTER	NA	NA	0.5242	1.8494
(E)-3-(5-ISOPROPYL-3-KETO-4,5,6,7-TETRAHYDRO-1H-ISOBENZOFURAN-4-YL)-2-METHYLOL-ACRYLIC ACID	NA	NA	1.5523	0.7981
(E)-3-PHENYL-1-PIPERIDINO-PROP-2-EN-1-ONE	NA	NA	1.7424	0.5739
(E)-3-PHENYLACRYLIC ACID (10-HYDROXY-9-ISOPROPYL-1,6-DIMETHYL-5,12-DIOXATRICYCLO[9.1.0.04,6]DODECAN-8-YL) ESTER	NA	NA	2.0229	0.3095
(E)-3-PHENYLACRYLIC ACID [(1R,2R,3S,4R,6E,10S)-2-HYDROXY-3-ISOPROPYL-6,10-DIMETHYL-11-OXABICYCLO[8.1.0]UNDEC-6-EN-4-YL] ESTER	NA	NA	0.4366	0.8283
(E,3R,5S)-7-[4-(4-FLUOROPHENYL)-6-[(2S)-1-HYDROXYPROPAN-2-YL]-5-(METHOXYMETHYL)-2-PROPAN-2-YLPYRIDIN-3-YL]-3,5-DIHYDROXYHEPT-6-ENOIC ACID	NA	NA	1.0984	1.2765
(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	NA	NA	1.1436	1.2314
(E)-4-(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)BUT-3-EN-2-ONE	NA	NA	1.2153	1.1550
(E)-4-ANILINO-4-KETO-BUT-2-ENOIC ACID	NA	NA	1.2096	1.1632
(E)-4-KETO-4-(N^-NICOTINOYLHYDRAZINO)BUT-2-ENOIC ACID	NA	NA	1.7221	0.6470
(E)-5-[(1S,8AS)-5,5,8A-TRIMETHYL-2-METHYLENE-DECALIN-1-YL]-3-METHYL-PENT-2-ENOIC ACID	NA	NA	1.2035	1.1715
(E)-5-(2,3-DIMETHYL-3-TRICYCLO[2.2.1.02,6]HEPTANYL)-2-METHYL-PENT-2-ENOIC ACID	NA	NA	0.7704	1.5994
(E)-5-(3,3-DIMETHYLNORBORNAN-2-YL)PENT-3-EN-2-ONE	NA	NA	0.4016	1.9661
(E)-6-HYDROXYOCTADEC-4-ENOIC ACID	NA	NA	0.0408	2.3330
(E)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPTAN-5-YL]HEPT-5-ENOIC ACID	NA	NA	0.8798	1.4947
ECDYSONE	NA	NA	1.0300	1.3394
ECHINOCYSTIC ACID	NA	NA	1.5436	0.8313
ECTOINE	NA	NA	0.3764	1.9964
EICOSAPENTENOYL-EA	NA	NA	0.6093	1.7657
(E)-N-[2-[3-(DIMETHYLAMINO)PROPYLTHIO]PHENYL]-3-PHENYL-ACRYLAMIDE	NA	NA	0.8163	1.5585
(E)-N-(4-ACETAMIDOBUTYL)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLAMIDE	NA	NA	0.9388	1.3895
(E)-N-HOMOVERATRYL-N-METHYL-3-PHENYL-ACRYLAMIDE	NA	NA	0.7776	1.4728
ENTEROLACTONE	NA	NA	2.3646	0.0103
ENT-KAUR-16-EN-19-OIC ACID	NA	NA	0.9758	1.3988
(E)-OCTADEC-11-ENOIC ACID METHYL ESTER	NA	NA	0.0628	2.3111
EPA	NA	NA	1.9689	0.4042
EPSILON-CAPROLACTAM	NA	NA	0.9859	1.3884
ESCITALOPRAM	NA	NA	0.9484	1.4265
ETHYL (4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOATE	NA	NA	0.2803	2.0936
ETHYL (9Z,11Z,13E)-OCTADECA-9,11,13-TRIENOATE	NA	NA	2.2737	0.0978
ETHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	0.9893	1.3856
ETHYL (9Z)-OCTADEC-9-ENOATE	NA	NA	2.3321	0.0392
ETHYL ARGINATE	NA	NA	1.1924	1.1823
ETHYL N-ACETYL-L-TYROSINATE	NA	NA	1.1088	1.2634
ETRE(5Z, 8Z, 11Z)	NA	NA	1.2516	1.1232
(E)-UNDEC-2-ENEDIOIC ACID	NA	NA	0.9658	1.3988
EVODIAMINE	NA	NA	1.7928	0.5625
FAMOTIDINE	NA	NA	2.2345	0.1404
FASCICULOL C	NA	NA	0.9491	1.4253
FEXOFENADINE	NA	NA	2.3701	0.0049
FRIEDELIN	NA	NA	2.0565	0.3184
FRUCTOSE	NA	NA	0.6058	1.7581
GABAPENTIN	NA	NA	0.0701	2.3024
GALACTOSAMINE	NA	NA	0.7287	1.6425
GALACTURONIC ACID	NA	NA	2.0400	0.3320
GAMMA-AMINOBUTYRIC ACID	NA	NA	1.2206	1.1460
GAMMA-GLUTAMYLGLUTAMIC ACID	NA	NA	1.1368	1.2379
GAMMA-TOCOPHEROL	NA	NA	1.2378	1.1300
GAMMA-UNDECALACTONE	NA	NA	0.9360	1.4372
GENISTEIN	NA	NA	0.0937	2.2812
GIBBERELLIN A14	NA	NA	0.9749	1.3993
GLIOTOXIN	NA	NA	1.0130	1.3608
GLN LEU	NA	NA	1.9473	0.4276
GLUCOSAN	NA	NA	0.5744	1.7391
GLYCITEIN	NA	NA	0.0297	2.3452
GLYCOCHOLIC ACID	NA	NA	0.0126	2.3624
GLYCOURSODEOXYCHOLIC ACID	NA	NA	0.0702	2.3048
GLYCYLGLYCYL-L-PHENYLALANINE	NA	NA	0.8355	1.5394
GLYCYL-L-TRYPTOPHAN	NA	NA	0.7459	1.6286
GLYCYRRHETINIC ACID	NA	NA	1.4735	0.8995
GLY GLY HIS	NA	NA	0.6935	1.6792
GLY-LEU	NA	NA	1.7847	0.5886
GLY-TYR	NA	NA	1.5124	0.8614
GLY-VAL	NA	NA	1.1718	1.2031
GUANOSINE	NA	NA	1.9762	0.3969
GUINEENSINE	NA	NA	1.7746	0.6003
HARMAN	NA	NA	1.1879	1.1842
HELIOTRINE	NA	NA	1.3433	0.9834
HEPTADEC-16-YNE-1,2,4-TRIOL	NA	NA	0.9332	1.4400
HESPERETIN	NA	NA	0.4457	1.9238
HEXADEC-15-YNOIC ACID	NA	NA	1.4620	0.9026
HEXAETHYLENE GLYCOL	NA	NA	1.3419	1.0320
HEXCER 18:0;3O/16:0;(2OH)	NA	NA	0.8824	1.4905
HISTAMINE	NA	NA	0.2131	2.1617
HISTIDINE	NA	NA	1.5916	0.7642
HOMOERIODICTYOL	NA	NA	1.4205	0.9193
HOMOSERINE	NA	NA	1.2182	1.1130
HYPOXANTHINE	NA	NA	2.0802	0.2944
ILE PRO ILE	NA	NA	1.5462	0.8224
INDOLINE-4-CARBOXYLIC ACID METHYL ESTER	NA	NA	1.6575	0.6897
INOSINE	NA	NA	1.9477	0.4271
ISOHYODEOXYCHOLIC ACID	NA	NA	1.5635	0.8114
ISONICOTINIC ACID	NA	NA	1.7226	0.6488
ISONIPECOTAMIDE	NA	NA	1.7564	0.5822
ISOPROPALIN	NA	NA	2.3509	0.0202
ISOQUINOLINE-1,5-DIOL	NA	NA	1.3622	0.9997
JUNIPERIC ACID	NA	NA	2.2101	0.1640
KAWAIN	NA	NA	1.4523	0.9219
KYNURAMINE	NA	NA	1.9512	0.3534
L-ALANYL-L-ISOLEUCINE	NA	NA	1.8381	0.5364
L-ALANYL-L-LYSINE	NA	NA	2.1958	0.1789
L-ALPHA-ASPARTYL-L-ISOLEUCINE	NA	NA	1.8383	0.5362
L-ASPARAGINYL-L-LEUCINE	NA	NA	2.1700	0.2043
LATHOSTEROL	NA	NA	0.9443	1.4232
LEUCINE	NA	NA	1.1288	1.1972
LEUCROSE	NA	NA	1.6396	0.7352
LEU-PHE	NA	NA	1.7943	0.5717
LEU VAL	NA	NA	1.8693	0.5056
LEVETIRACETAM	NA	NA	1.2667	1.1064
L-HISTIDYL-L-ISOLEUCINE	NA	NA	1.6555	0.7192
L-HISTIDYL-L-LEUCINE	NA	NA	0.8992	1.4757
L-HISTIDYL-L-PHENYLALANINE	NA	NA	1.2966	1.0781
L-HISTIDYL-L-PROLINE	NA	NA	1.3140	1.0602
LICOARYLCOUMARIN	NA	NA	0.4224	1.9526
LINOLEOYL-EA	NA	NA	0.4760	1.8990
L-ISOLEUCYL-L-ARGININE	NA	NA	2.2167	0.1563
L-ISOLEUCYL-L-GLUTAMINE	NA	NA	1.9446	0.4303
L-ISOLEUCYL-L-ISOLEUCINE	NA	NA	1.8637	0.5107
L-ISOLEUCYL-L-LYSINE	NA	NA	2.1120	0.2628
L-ISOLEUCYL-L-PROLINE	NA	NA	1.5690	0.8059
L-ISOLEUCYL-L-SERINE	NA	NA	1.4235	0.9513
L-ISOLEUCYL-L-THREONINE	NA	NA	1.7266	0.6482
LITHOCHOLIC ACID GLYCINE CONJUGATE	NA	NA	0.3182	2.0566
L-LEUCYL-L-GLUTAMIC ACID	NA	NA	1.8529	0.5218
L-LEUCYL-L-HISTIDINE	NA	NA	1.1522	1.2227
L-LEUCYL-L-LYSINE	NA	NA	1.8277	0.5470
L-LEUCYL-L-METHIONINE	NA	NA	1.0480	1.3268
L-LEUCYL-L-PROLINE	NA	NA	1.5618	0.8131
L-LEUCYL-L-THREONINE	NA	NA	1.9001	0.4748
L-LYSYL-L-ARGININE	NA	NA	0.3602	2.0148
L-LYSYL-L-ISOLEUCINE	NA	NA	1.5277	0.8470
L-LYSYL-L-VALINE	NA	NA	2.2685	0.1064
L-METHIONYL-L-ISOLEUCINE	NA	NA	0.9613	1.4133
L-METHIONYL-L-PROLINE	NA	NA	1.0107	1.3641
LOPERAMIDE	NA	NA	0.7898	1.5852
LOVASTATIN	NA	NA	0.4837	1.8908
LPC(14:0)	NA	NA	0.3610	2.0139
LPC(16:0)	NA	NA	0.7903	1.5846
LPC 20:3-SN1	NA	NA	0.7060	1.6684
LPC(O-16:0)	NA	NA	1.1126	1.2624
LPC(O-18:0)	NA	NA	1.0865	1.2883
L-PHENYLALANYL-L-ARGININE	NA	NA	2.0135	0.3563
L-PHENYLALANYL-L-GLUTAMIC ACID	NA	NA	1.3091	1.0647
L-PHENYLALANYL-L-GLUTAMINE	NA	NA	1.3874	0.9871
L-PHENYLALANYL-L-HISTIDINE	NA	NA	0.3256	2.0489
L-PHENYLALANYL-L-ISOLEUCINE	NA	NA	1.5906	0.7769
L-PHENYLALANYL-L-LEUCINE	NA	NA	1.6410	0.7263
L-PHENYLALANYL-L-LYSINE	NA	NA	1.5482	0.8265
L-PHENYLALANYL-L-METHIONINE	NA	NA	1.2606	1.1144
L-PHENYLALANYL-L-PHENYLALANINE	NA	NA	1.6104	0.7625
L-PHENYLALANYL-L-THREONINE	NA	NA	1.4406	0.9333
L-PHENYLALANYL-L-TYROSINE	NA	NA	1.7874	0.5870
L-PHENYLALANYL-L-VALINE	NA	NA	1.5877	0.7860
L-PROLYL-L-ASPARTIC ACID	NA	NA	1.2640	1.1106
L-PROLYL-L-ISOLEUCINE	NA	NA	0.3065	2.0675
L-PROLYL-L-LEUCINE	NA	NA	1.9614	0.4130
L-PROLYL-L-PROLINE	NA	NA	0.4093	1.9656
L-PROLYL-L-VALINE	NA	NA	0.5355	1.8384
L-SERYL-L-ISOLEUCINE	NA	NA	1.5859	0.7890
L-SERYL-L-LEUCINE	NA	NA	1.8455	0.5293
L-SERYL-L-PHENYLALANINE	NA	NA	1.4359	0.9371
L-SERYL-L-TRYPTOPHAN	NA	NA	1.3287	1.0451
L-SERYL-L-TYROSINE	NA	NA	0.7709	1.6009
L-SERYL-L-VALINE	NA	NA	1.6713	0.7035
L-THREONYL-L-LEUCINE	NA	NA	1.7413	0.6337
L-THREONYL-L-PROLINE	NA	NA	1.6025	0.7724
L-THREONYL-L-VALINE	NA	NA	1.8113	0.5637
L-TRYPTOPHYL-L-GLUTAMIC ACID	NA	NA	0.7483	1.6263
L-TRYPTOPHYL-L-LEUCINE	NA	NA	1.7669	0.6071
L-TRYPTOPHYL-L-LYSINE	NA	NA	1.9562	0.4181
L-TRYPTOPHYL-L-PROLINE	NA	NA	1.2643	1.0883
L-TRYPTOPHYL-L-THREONINE	NA	NA	1.3863	0.9881
L-TRYPTOPHYL-L-TYROSINE	NA	NA	1.8215	0.5523
L-TRYPTOPHYL-L-VALINE	NA	NA	1.8798	0.4948
L-TYROSYL-L-LEUCINE	NA	NA	1.7395	0.6350
L-TYROSYL-L-LYSINE	NA	NA	0.5125	1.8607
L-TYROSYL-L-PHENYLALANINE	NA	NA	1.9434	0.4311
L-TYROSYL-L-PROLINE	NA	NA	1.5349	0.8401
L-TYROSYL-L-VALINE	NA	NA	1.8599	0.5148
LUMICHROME	NA	NA	2.0750	0.2894
LUP-20(29)-ENE-3BETA,28-DIOL	NA	NA	1.3874	0.9866
LUPENONE	NA	NA	1.3711	0.9174
LUPEOL ACETATE	NA	NA	0.8760	1.4989
LUTEIN	NA	NA	0.8728	1.5021
L-VALYL-L-ARGININE	NA	NA	2.2922	0.0827
L-VALYL-L-HISTIDINE	NA	NA	1.1378	1.2371
L-VALYL-L-ISOLEUCINE	NA	NA	1.7179	0.6566
L-VALYL-L-LYSINE	NA	NA	2.1359	0.2390
L-VALYL-L-METHIONINE	NA	NA	2.1577	0.2168
L-VALYL-L-PROLINE	NA	NA	1.7668	0.6077
L-VALYL-L-THREONINE	NA	NA	1.5858	0.7891
L-VALYL-L-VALINE	NA	NA	1.7499	0.6250
LYSINE	NA	NA	1.3883	0.9838
LYS-PRO	NA	NA	1.4721	0.9028
MAKISTERONE A	NA	NA	1.5092	0.8646
M-COUMARIC ACID	NA	NA	1.1382	1.2359
MEGESTROL	NA	NA	0.5237	1.8481
MELEZITOSE	NA	NA	0.2212	2.1536
METHANESULFONIC ACID [(1R,2R)-2-(METHYLSULFONYLOXYMETHYL)CYCLOHEXYL]METHYL ESTER	NA	NA	1.1265	1.2346
METHIONINE	NA	NA	1.2303	1.1447
METHYL (2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOATE	NA	NA	0.4450	1.9292
METHYL (2E)-3-(4-HYDROXYPHENYL)PROP-2-ENOATE	NA	NA	1.1118	1.2628
METHYL (2E)-3-(4-METHOXYPHENYL)PROP-2-ENOATE	NA	NA	2.2114	0.1632
METHYL (2S)-2-(2-CHLOROPHENYL)-2-{4H,5H,6H,7H-THIENO[3,2-C]PYRIDIN-5-YL}ACETATE	NA	NA	1.1800	1.1943
METHYL (2S)-2-[[(2S)-2-AZANYL-4-METHYL-PENTANOYL]AMINO]-4-METHYL-PENTANOATE	NA	NA	2.0493	0.2822
METHYL 3-[3-[(2Z,5Z,8Z,11Z,14Z)-HEPTADECA-2,5,8,11,14-PENTAENYL]OXIRAN-2-YL]PROPANOATE	NA	NA	1.1476	1.2218
METHYL 4BETA-ACETYLOXY-3BETA-HYDROXY-16-METHOXY-1-METHYL-6,7-DIDEHYDRO-2BETA,5ALPHA,12BETA,19ALPHA-ASPIDOSPERMIDINE-3ALPHA-CARBOXYLATE	NA	NA	1.0767	1.2902
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	NA	NA	2.0773	0.2976
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	NA	NA	0.6958	1.6784
METHYL (4Z,10Z,13Z,16Z)-DOCOSA-4,10,13,16-TETRAENOATE	NA	NA	1.1859	1.1884
METHYL 5-AMINO-4-OXOPENTANOATE	NA	NA	1.5502	0.6908
METHYL (5Z,9Z,12Z)-OCTADECA-5,9,12-TRIENOATE	NA	NA	1.1355	1.2387
METHYL 7-[(1R,2R,3R)-3-HYDROXY-2-[(1E)-4-HYDROXY-4-METHYLOCT-1-EN-1-YL]-5-OXOCYCLOPENTYL]HEPTANOATE	NA	NA	2.1923	0.1820
METHYL-[(7R,8S)-2-OXA-6-AZATRICYCLO[4.2.1.03,7]NONAN-8-YL]AMINE	NA	NA	0.5601	1.8088
METHYL (7Z)-HEXADEC-7-ENOATE	NA	NA	1.4850	0.8894
METHYL (8Z,11Z)-13-[(2S,3R)-3-PENTYLOXIRAN-2-YL]TRIDECA-8,11-DIENOATE	NA	NA	0.9350	1.4381
METHYL (8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOATE	NA	NA	0.8687	1.5062
METHYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	NA	NA	1.0223	1.3523
METHYL (9Z,12Z)-OCTADECA-9,12-DIENOATE	NA	NA	1.5215	0.8506
METHYL 9Z-HEXADECENOATE	NA	NA	2.0849	0.2881
METHYL 9Z-TETRADECENOATE	NA	NA	2.0943	0.2465
METHYL CINNAMATE	NA	NA	1.1110	1.2282
METHYL-[(E)-1-[2-[[5-(METHYLAMINOMETHYL)-2-FURYL]METHYLTHIO]ETHYLAMINO]-2-NITRO-VINYL]AMINE	NA	NA	1.4123	0.9610
METHYLIMIDAZOLEACETIC ACID	NA	NA	2.1812	0.1934
METHYL OLEATE	NA	NA	1.2104	1.1618
METHYL (Z)-OCTADEC-12-ENOATE	NA	NA	2.1340	0.2405
MG(18:2)	NA	NA	1.3504	1.0245
MG(20:4)	NA	NA	0.9506	1.4243
MIGLITOL	NA	NA	2.0890	0.2796
MONOETHYL PHTHALATE	NA	NA	1.8542	0.5012
MONOMYRISTIN	NA	NA	1.5121	0.8549
MORPHOLINE	NA	NA	1.2082	1.1379
MYO-INOSITOL	NA	NA	0.1860	2.1716
MYRISTOLEIC ACID	NA	NA	1.9244	0.4502
MYRISTOYL-EA	NA	NA	0.5564	1.7648
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,11R,15S-TRIHYDROXY-5Z,13E-PROSTADIENOYL AMINE	NA	NA	0.0631	2.3118
N-(1,3-DIHYDROXYPROPAN-2-YL)-9S,15S-DIHYDROXY-11-OXO-5Z,13E-PROSTADIENOYL AMINE	NA	NA	0.4817	1.8915
N-[1-(6-KETO-4-METHOXY-PYRAN-2-YL)-2-METHYL-BUTYL]ACETAMIDE	NA	NA	0.6538	1.7152
N1-ACETYLSPERMINE	NA	NA	1.0535	1.3214
N-(1-METHYL-2-PHENYL-ETHYL)ACETAMIDE	NA	NA	1.2776	1.0570
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE	NA	NA	1.2135	1.1603
N-[2-(1H-INDOL-3-YL)ETHYL]-4-PHENYL-BENZAMIDE	NA	NA	1.9682	0.4064
N-[2-(1H-INDOL-3-YL)ETHYL]PROPIONAMIDE	NA	NA	1.3298	1.0420
N-(2,4-DIMETHYL-3-NITRO-PHENYL)ACETAMIDE	NA	NA	2.3640	0.0090
N-[2-(4-HYDROXYPHENYL)ETHYL]ACETAMIDE	NA	NA	0.4012	1.9667
N-[2-(5,6-DIMETHYL-1H-BENZIMIDAZOL-2-YL)ETHYL]-4-(1,2,4-TRIAZOL-4-YL)BENZAMIDE	NA	NA	1.1596	1.2118
N-[2-(5-HYDROXY-1H-INDOL-3-YL)ETHYL]-5Z,8Z,11Z,14Z-EICOSATETRAENAMIDE	NA	NA	1.7450	0.5880
N-[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]CYCLOPROPANECARBOXAMIDE	NA	NA	0.5753	0.7946
N-(2,6-DIMETHYLPHENYL)METHANESULFONAMIDE	NA	NA	0.3690	0.6807
N-(2-FLUOROPHENYL)-2-PHENOXY-PROPIONAMIDE	NA	NA	1.0656	1.1790
N-(2-FLURO-ETHYL)-2-METHYL-5Z,8Z,11Z,14Z-EICOSATETRAENOYL AMINE	NA	NA	1.0325	1.3424
N-(2-FURFURYL)FORMAMIDE	NA	NA	1.2451	1.1242
N(2)-METHYL-L-LYSINE	NA	NA	1.1187	1.2509
N-(2-PHENYLETHYL)ACETAMIDE	NA	NA	0.2941	2.0786
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	NA	NA	0.8278	1.5435
N-[(2R,3S,4E)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL]DODECANAMIDE	NA	NA	1.1050	1.2690
N-[(2S,3R,4R,5R,6R)-2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]ACETAMIDE	NA	NA	0.6717	1.7005
N-(3-ACETYLPHENYL)-4-FLUORO-BENZAMIDE	NA	NA	0.8431	1.5036
N-(3-AMINOPROPYL)ACETAMIDE	NA	NA	1.4304	0.9085
N-[3-(DIMETHYLAMINO)PROPYL]ISONIPECOTAMIDE	NA	NA	1.5006	0.8690
N-(3-ETHOXYPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRAMIDE	NA	NA	1.1391	1.0607
N-(3-HYDROXYPHENYL)ACETAMIDE	NA	NA	1.2345	0.9782
N-(3-OXO-HEXANOYL)-HOMOSERINE LACTONE	NA	NA	1.1491	1.1846
N-(3-PIPERIDYL)PROPIONAMIDE	NA	NA	2.0443	0.3226
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	NA	NA	0.2806	2.0943
N4-(1-METHYLPIPERIDIN-4-YL)BENZENE-1,4-DIAMINE	NA	NA	1.9602	0.3991
N-{4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}ETHANIMIDIC ACID	NA	NA	0.0099	2.3650
N-(4-ACETAMIDOPHENYL)-2-ETHOXY-ACETAMIDE	NA	NA	1.7042	0.6686
N-(4-BROMO-3-METHYL-PHENYL)-3-MORPHOLINO-PROPIONAMIDE	NA	NA	1.0582	1.0486
N-(4-BROMOPHENYL)ISONIPECOTAMIDE	NA	NA	0.9412	1.3279
N-(4-CHLOROPHENYL)PYRROLIDINE-1-CARBOXAMIDE	NA	NA	1.0803	1.2769
~{N}-(4-FORMYLPHENYL)ACETAMIDE	NA	NA	2.2727	0.0934
N-(4-PIPERIDYL)CYCLOPROPANECARBOXAMIDE	NA	NA	0.0834	2.2915
N-[(4Z,8Z)-1,3-DIHYDROXYOCTADECA-4,8-DIEN-2-YL]HEXADECANAMIDE	NA	NA	0.8219	1.5531
N-(5-ACETAMIDOPENTYL)ACETAMIDE	NA	NA	2.0321	0.3412
N(5)-ETHYL-L-GLUTAMINE	NA	NA	0.1345	2.2405
N6-(DELTA2-ISOPENTENYL)-ADENINE	NA	NA	0.3729	1.9927
N(6)-METHYLLYSINE	NA	NA	2.1136	0.2593
N-6-TRIMETHYLLYSINE	NA	NA	0.7537	1.6213
N8-ACETYLSPERMIDINE	NA	NA	1.4052	0.9697
N-[(8E)-3,4-DIHYDROXY-1-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OCTADEC-8-EN-2-YL]-2-HYDROXYHEXADECANAMIDE	NA	NA	1.6682	0.7059
N-ACETYLASPARTIC ACID	NA	NA	0.9001	1.4715
N-ACETYL-BETA-ALANINE	NA	NA	1.5234	0.7835
N-ACETYLCARNOSINE	NA	NA	0.6716	1.6921
N-ACETYLGLUTAMIC ACID	NA	NA	0.9762	1.3967
N-ACETYLHISTAMINE	NA	NA	0.9050	1.4699
N-ACETYLHISTIDINE	NA	NA	1.5624	0.8112
N-ACETYL-L-ALPHA-ASPARTYL-L-GLUTAMIC ACID	NA	NA	0.5362	1.8382
N-ACETYLMETHIONINE	NA	NA	1.9473	0.4066
N-ACETYLORNITHINE	NA	NA	1.6025	0.7724
N-ACETYLPHENYLALANINE	NA	NA	0.8777	1.4957
N-ACETYLPUTRESCINE	NA	NA	0.9936	1.3811
N-ACETYLSEROTONIN	NA	NA	1.4439	0.9284
N-ACETYLTHREONINE	NA	NA	0.8513	1.4905
N-ACETYLTRYPTOPHAN	NA	NA	1.7686	0.6061
N-ACETYLVALINE	NA	NA	1.1582	1.2142
N-AMIDINO-L-GLUTAMATE	NA	NA	1.5184	0.8564
NANDROLONE	NA	NA	1.7677	0.6066
NAORN 16:0/17:0	NA	NA	0.2338	2.1400
NAPHTHORESORCINOL	NA	NA	0.3225	2.0520
NARIRUTIN	NA	NA	0.0720	2.3025
N-BENZYL-1H-INDOLE-2-CARBOXAMIDE	NA	NA	1.6462	0.7194
N^-BENZYLACETAMIDINE	NA	NA	1.0336	1.2420
N-BENZYL-N-METHYL-ACETAMIDE	NA	NA	1.2558	1.0773
N-CARBAMOYLPUTRESCINE	NA	NA	0.6733	1.7015
N-CYCLOHEXYL-4-PHENYL-BUTYRAMIDE	NA	NA	1.1037	1.2520
N-CYCLOOCTYL-2-PHENOXY-PROPIONAMIDE	NA	NA	1.1814	1.1205
NEOABIETIC ACID	NA	NA	1.0207	1.3495
NERVONIC ACID	NA	NA	1.6556	0.7144
NICOTINIC ACID	NA	NA	1.7232	0.6475
N-METHYL-7H-PURIN-6-AMINE	NA	NA	1.3352	1.0390
N-METHYLHISTIDINE	NA	NA	1.0900	1.0184
N-METHYL-L-GLUTAMIC ACID	NA	NA	1.1431	1.2307
N-METHYL-L-ISOLEUCINE	NA	NA	2.3394	0.0329
N-METHYL-L-PHENYLALANINE	NA	NA	1.3137	1.0586
N-METHYLTYRAMINE	NA	NA	2.2566	0.1004
N,N^-DIHYDROXYOCTANEDIAMIDE	NA	NA	2.1557	0.2107
N,N-DIISOBUTYLTHIOCARBAMIC ACID S-ETHYL ESTER	NA	NA	0.9399	1.4196
N-OLEOYL GLYCINE	NA	NA	2.1032	0.2653
N-OLEOYL LEUCINE	NA	NA	0.9029	1.4714
N-OLEOYL PHENYLALANINE	NA	NA	0.8735	1.5014
NONADECA-10Z-ENOIC ACID	NA	NA	1.0468	1.3280
NORDAZEPAM	NA	NA	0.0841	2.2908
NORFENEFRINE	NA	NA	1.5905	0.7714
NOROXYCODONE	NA	NA	2.3153	0.0596
NOROXYMORPHONE	NA	NA	1.7647	0.6097
NOTOGINSENOSIDE R2	NA	NA	2.3356	0.0391
N-PALMITOYL GLYCINE	NA	NA	1.3569	1.0156
N-PHENYLACETYLPHENYLALANINE	NA	NA	0.4010	1.9736
N-PHENYLCARBAMIC ACID (4-FORMYLPHENYL) ESTER	NA	NA	1.1222	1.2516
OLEIC ACID	NA	NA	1.4436	0.9251
OLEOYL-EA	NA	NA	0.8056	1.5693
OLIGOMYCIN B	NA	NA	1.8765	0.2071
OMEGA-3-ARACHIDONIC ACID	NA	NA	2.3524	0.0225
OMEPRAZOLE SULFONE	NA	NA	0.4282	1.9465
ONDANSETRON	NA	NA	2.3697	0.0049
ORNITHINE	NA	NA	0.5521	1.8213
O-TOLYL(2-THIAZOLIN-2-YL)AMINE	NA	NA	1.1384	1.0606
OXAZEPAM	NA	NA	0.0413	2.3335
OXIRACETAM	NA	NA	0.6102	1.7635
OXYMETAZOLINE	NA	NA	1.0611	1.3121
OXYMORPHONE	NA	NA	2.1891	0.1842
PALATINOSE	NA	NA	1.1634	1.2114
PALMITELAIDIC ACID	NA	NA	2.1618	0.1696
PALMITOLEOYL-EA	NA	NA	0.6994	1.6730
PALMITOYL-EA	NA	NA	0.9537	1.4198
PARACETAMOL SULFATE	NA	NA	0.2058	2.1665
PARAXANTHINE	NA	NA	1.2499	1.1221
PC 10:0_24:3	NA	NA	0.2599	2.1150
PC 8:0_28:3	NA	NA	0.5746	1.8003
PC O-32:0	NA	NA	1.2619	1.1128
PC O-34:1	NA	NA	1.5485	0.8264
PC O-34:2	NA	NA	1.2880	1.0865
PC O-36:1	NA	NA	1.8612	0.5132
PC O-36:2	NA	NA	1.7327	0.6414
PC O-36:3	NA	NA	1.5270	0.8462
PC O-36:4	NA	NA	1.3700	1.0044
PC O-38:4	NA	NA	1.4710	0.9030
PEIMININE	NA	NA	2.0084	0.3662
PELLITORINE	NA	NA	2.3406	0.0337
PENCICLOVIR	NA	NA	1.7821	0.5926
PENTADECANOYL-EA	NA	NA	1.3277	1.0436
PENTAETHYLENE GLYCOL	NA	NA	1.4683	0.8075
PENTALENIC ACID	NA	NA	0.4807	1.8910
PETROMYZONOL	NA	NA	1.5912	0.7833
PGD1	NA	NA	2.1120	0.2625
PGF2BETA	NA	NA	0.9053	1.4637
PHE GLY GLY	NA	NA	1.6016	0.7727
PHENETHYLTHIOUREA	NA	NA	0.0970	2.2768
PHENYLACETALDEHYDE	NA	NA	0.8119	1.5628
PHEOPHORBIDE A	NA	NA	0.1887	2.1863
PHE VAL LYS	NA	NA	1.3084	1.0665
PHOSPHORIC ACID	NA	NA	0.9040	0.5366
PHOSPHORIC ACID TRIS(1-BUTOXYETHYL) ESTER	NA	NA	0.9496	1.3120
PHYTOSPHINGOSINE	NA	NA	0.8585	1.4734
PILOCARPINE	NA	NA	1.9943	0.3743
PIMELIC ACID	NA	NA	0.8353	1.5238
PINOLIDOXIN	NA	NA	1.1379	1.2286
PIPECOLIC ACID	NA	NA	2.0407	0.3311
PIPENZOLATE	NA	NA	0.7316	1.6318
PIPERIDINE-1-CARBOXYLIC ACID PHENYL ESTER	NA	NA	0.7282	1.5928
PIPERINE	NA	NA	2.1555	0.2195
PIPERINIC ACID	NA	NA	2.2654	0.1092
PORPHOBILINOGEN	NA	NA	1.6452	0.7288
PRAMOCAINE	NA	NA	1.6915	0.6419
PREGABALIN	NA	NA	2.0520	0.3199
PREGNANEDIOL	NA	NA	1.0841	1.2905
PREGNANETRIOL	NA	NA	0.9287	1.4461
PREGNENOLONE	NA	NA	2.1605	0.2145
PRISTANIC ACID	NA	NA	1.1095	1.2654
PROP-2-YN-1-YL (2E,4E)-3,7,11-TRIMETHYLDODECA-2,4-DIENOATE	NA	NA	1.5292	0.7270
PROPAN-2-YL (Z)-7-[(1R,2R,3R)-3-OXIDANYL-5-OXIDANYLIDENE-2-[(E,3S)-3-OXIDANYLOCT-1-ENYL]CYCLOPENTYL]HEPT-5-ENOATE	NA	NA	2.3120	0.0627
PRO PHE	NA	NA	1.9336	0.4411
(-)-PULEGONE	NA	NA	1.1690	1.1222
PYRIDINE-2,4-DICARBOXYLIC ACID DIETHYL ESTER	NA	NA	0.1456	2.2291
PYRIDINE-2,5-DICARBOXYLIC ACID DIPROPYL ESTER	NA	NA	1.1495	1.2064
PYRIDINE-3,4-DICARBOXYLIC ACID	NA	NA	1.4123	0.9610
PYRIDOXAL	NA	NA	1.7472	0.6197
PYRIDOXAMINE	NA	NA	1.8540	0.5144
PYRIDOXINE	NA	NA	1.9030	0.4672
PYRROLIDIN-1-IUM-2-CARBOXYLATE	NA	NA	0.8910	1.4816
PYRROLIDINE-3-CARBOXYLIC ACID	NA	NA	1.0448	1.3284
QUETIAPINE	NA	NA	0.6350	1.7400
QUINALDIC ACID	NA	NA	1.2202	1.1511
QUINIC ACID	NA	NA	1.3879	0.9323
QUINOLIN-4-OL	NA	NA	1.6742	0.6741
QUINOLINE-2,8-DIOL	NA	NA	1.8390	0.5335
RAC-2,3-DIHYDROXYPROPYL (9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOATE	NA	NA	1.5015	0.8732
RANITIDINE	NA	NA	0.0869	2.2864
RIBOFLAVIN	NA	NA	2.3732	0.0018
RIMANTADINE	NA	NA	1.9024	0.4723
ROSMARINIC ACID	NA	NA	1.2320	1.0980
S-ALLYLCYSTEINE	NA	NA	0.5743	1.8005
SARSASAPOGENIN	NA	NA	0.9986	1.3652
SCIADONIC ACID	NA	NA	1.6977	0.6650
SEBACIC ACID	NA	NA	1.6361	0.7127
SECOLOGANIN	NA	NA	1.2834	1.0898
SENKIRKINE	NA	NA	1.5137	0.8591
SERINE	NA	NA	1.5278	0.8468
SINAPIC ACID	NA	NA	2.1253	0.2493
SINAPINE	NA	NA	0.5720	1.7881
SINAPOYL ALDEHYDE	NA	NA	1.3681	0.9969
SITOSTEROL	NA	NA	0.7686	1.6054
SKF 91581	NA	NA	0.4453	1.9287
SKIMMIN	NA	NA	1.3688	0.9871
SL 17:0;O/15:0	NA	NA	1.6455	0.7292
SL 17:0;O/16:0	NA	NA	1.9536	0.4212
SL 17:0;O/16:1;O	NA	NA	2.1073	0.2670
SM 13:0;2O/21:1	NA	NA	0.7834	1.5915
SM 14:1;2O/20:1	NA	NA	0.9736	1.4007
SN-GLYCERO-3-PHOSPHOCHOLINE	NA	NA	1.2006	1.0702
SOLANIDINE	NA	NA	0.2449	2.1292
SOLASODINE	NA	NA	2.2839	0.0910
SORBITOL	NA	NA	0.1781	2.1810
SOYACEREBROSIDE I	NA	NA	1.5897	0.7851
SPERMIDINE	NA	NA	1.0283	0.9627
SPHINGANINE	NA	NA	2.2050	0.1689
SPHINGOSINE	NA	NA	0.4926	1.8792
SPIRO[3.3]HEPTANE-2,2-DICARBOXYLIC ACID	NA	NA	1.4677	0.8787
SPIRO[IMIDAZOLIDINE-5,1^-INDANE]-2,4-QUINONE	NA	NA	1.9929	0.3815
SPIRO[INDOLINE-3,3^-PYRROLIDINE]-2-ONE	NA	NA	2.1524	0.2205
STEARIDONIC ACID	NA	NA	0.8678	1.5000
STEAROYL-EA	NA	NA	1.3051	1.0501
SUBERIC ACID	NA	NA	1.9205	0.3732
SUBERYLGLYCINE	NA	NA	2.0754	0.2994
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	NA	NA	2.1608	0.2140
SUCRALOSE	NA	NA	0.2634	2.1112
SULFAMETHOXAZOLE	NA	NA	0.0991	2.2759
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	NA	NA	1.3790	0.9957
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	NA	NA	1.2566	1.1183
SULFAMIC ACID [(3AR,6R,7S,7AS)-6,7-DIHYDROXY-2,2-DIMETHYL-3A,4,7,7A-TETRAHYDRO-[1,3]DIOXOLO[4,5-C]PYRAN-6-YL]METHYL ESTER	NA	NA	0.4563	1.0205
TANGERETIN	NA	NA	0.8107	1.5635
TAURINE	NA	NA	0.3398	2.0352
TAUROCHOLIC ACID	NA	NA	0.0265	2.3485
TERT-BUTYL 2-OXOPIPERIDINE-1-CARBOXYLATE	NA	NA	1.6086	0.7657
TERT-BUTYL(M-ANISYL)AMINE	NA	NA	1.1403	1.0448
TETRABUTYLAZANIUM	NA	NA	1.1109	1.2638
TETRADECANEDIOIC ACID	NA	NA	1.5387	0.7785
TETRAHYDROALSTONINE	NA	NA	1.0936	1.1516
TETRAHYDROCORTISOL	NA	NA	0.4213	1.9535
TETRAHYDROCURCUMIN	NA	NA	0.1135	2.2599
TETRAHYDRODEOXYCORTICOSTERONE	NA	NA	0.7773	1.5954
THEOBROMINE	NA	NA	1.0566	1.3139
THIAMINE	NA	NA	1.5115	0.8635
THIAMINE MONOPHOSPHATE	NA	NA	1.0423	1.3323
THR GLU	NA	NA	1.7143	0.6606
THR VAL LEU	NA	NA	2.0027	0.3721
TIMOSAPONIN A-III	NA	NA	2.2565	0.1185
TRANS-3-HYDROXYCOTININE	NA	NA	1.5446	0.8229
TRANS-FERULIC ACID	NA	NA	0.2518	2.1057
TRANS-ZEATIN	NA	NA	1.2884	1.0865
TRAUMATIC ACID	NA	NA	2.3129	0.0441
TRAZODONE	NA	NA	1.8619	0.5131
TREHALOSE	NA	NA	0.3322	2.0428
TRIACANTHINE	NA	NA	0.8923	1.4503
TRIGONELLINE	NA	NA	0.7496	1.6134
TRIGONEOSIDE XB	NA	NA	1.3162	1.0580
TRIMETHOPRIM	NA	NA	0.1326	2.2424
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	NA	NA	1.0081	1.3665
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-[(6Z,9Z,12Z,15Z)-OCTADECA-6,9,12,15-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	NA	NA	0.8003	1.5735
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	NA	NA	0.3939	1.9810
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	NA	NA	0.7079	1.6670
TRIS(2-BUTOXYETHYL) PHOSPHATE	NA	NA	0.8634	1.4192
TRYPTAMINE	NA	NA	1.6154	0.7588
TRYPTOPHANOL	NA	NA	1.0412	1.3151
TUBERONIC ACID GLUCOSIDE	NA	NA	0.6991	1.6752
TYRAMINE	NA	NA	0.3664	2.0015
TYROSINE	NA	NA	1.8083	0.5665
UNDECANEDIOIC ACID	NA	NA	1.1870	1.1870
UREIDOPROPIONIC ACID	NA	NA	0.8649	1.5078
UROCANIC ACID	NA	NA	0.5217	1.8526
VAL PRO LEU	NA	NA	1.2613	1.0789
VANYLGLYCOL	NA	NA	0.5722	1.7788
VITEXIN	NA	NA	0.0608	2.3127
XANTHINE	NA	NA	2.3219	0.0529
XANTHURENIC ACID	NA	NA	1.0565	1.3174
(~{Z},12~{R})-12-HYDROXYOCTADEC-9-ENOIC ACID METHYL ESTER	NA	NA	0.9275	1.4251
(Z,12S,13R)-12,13-DIHYDROXYOCTADEC-9-ENOIC ACID	NA	NA	1.6926	0.6780
(Z,2E,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-N-(2-METHYLPROPYL)PENTA-2,4-DIENIMIDIC ACID	NA	NA	2.3213	0.0533
(Z)-2-HEXYL-3-PHENYL-ACROLEIN	NA	NA	1.2940	1.0627
(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	NA	NA	1.0021	0.9427
(Z)-2-METHYLBUT-2-ENOIC ACID [(3AR,4R,5R,6E,9Z,11AR)-4-HYDROXY-2,8-DIKETO-6,10-DIMETHYL-3-METHYLENE-4,5,11,11A-TETRAHYDRO-3AH-CYCLODECA[B]FURAN-5-YL] ESTER	NA	NA	1.8836	0.4910
(Z)-2-METHYLBUT-2-ENOIC ACID [(4R,6R)-6-ISOVALERYLOXY-11-KETO-3,3,7,9-TETRAMETHYL-4-TRICYCLO[5.4.0.02,8]UNDEC-9-ENYL] ESTER	NA	NA	1.7062	0.6679
(Z)-2-OCT-7-ENYLPENT-2-ENEDIOIC ACID	NA	NA	0.5521	1.8063
(Z)-3-[(1S,2S)-2-PHENYLCYCLOPROPYL]ACRYLIC ACID ETHYL ESTER	NA	NA	1.5127	0.8548
(Z)-3-(4-HYDROXY-3-METHOXY-PHENYL)ACRYLIC ACID [(2R,3S,4S,5S)-5-[(2R,3R,4S,5S,6R)-6-(ACETOXYMETHYL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-YL]OXY-3,4-DIHYDROXY-5-METHYLOL-TETRAHYDROFURAN-2-YL]METHYL ESTER	NA	NA	0.4964	1.8773
(Z)-3-METHYL-5-(1,2,5,5-TETRAMETHYL-7-OXO-3,4,4A,6-TETRAHYDRO-2H-NAPHTHALEN-1-YL)PENT-2-ENOIC ACID	NA	NA	1.5509	0.8175
(Z)-3-PHENYL-2-[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLOL-TETRAHYDROPYRAN-2-YL]OXY-ACRYLIC ACID	NA	NA	0.1017	2.2569
(Z)-5,8,11-TRIHYDROXYOCTADEC-9-ENOIC ACID	NA	NA	1.6753	0.6974
(Z)-6-[(2R,3S)-3-[[(4-CHLORO-2-METHYLPHENYL)SULFONYLAMINO]METHYL]-2-BICYCLO[2.2.2]OCTANYL]-5-HEXENOIC ACID	NA	NA	1.8385	0.4906
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-CYCLOHEXYL-3-HYDROXY-PROP-1-ENYL]-3,5-DIHYDROXY-CYCLOPENTYL]HEPT-5-ENOIC ACID	NA	NA	1.2673	1.1077
(Z)-7-[(1R,2R,3R,5S)-3,5-DIHYDROXY-2-(3-KETODECYL)CYCLOPENTYL]HEPT-5-ENOIC ACID ISOPROPYL ESTER	NA	NA	1.0838	1.2893
(Z)-7-[(1S,2R,3R,4R)-3-[[N^-(PHENYLCARBAMOYL)HYDRAZINO]METHYL]-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]HEPT-5-ENOIC ACID	NA	NA	1.7676	0.6072
(Z)-7-[(1S,2S,3S,5R)-3-[(4-IODOPHENYL)SULFONYLAMINO]-6,6-DIMETHYL-NORPINAN-2-YL]HEPT-5-ENOIC ACID	NA	NA	2.0340	0.3287
(Z)-7-[(2S)-2-[(E)-3-HYDROXY-3-METHYL-OCT-1-ENYL]-5-KETO-CYCLOPENT-3-EN-1-YL]HEPT-5-ENOIC ACID	NA	NA	1.8429	0.5312
(Z)-9,10,11-TRIHYDROXYOCTADEC-12-ENOIC ACID	NA	NA	1.0907	1.2779
(Z)-9,12,13-TRIHYDROXYOCTADEC-15-ENOIC ACID	NA	NA	1.6878	0.6838
(Z,9S,10S)-9,10-DIHYDROXYOCTADEC-12-ENOIC ACID	NA	NA	1.6708	0.7022
(Z)-EICOS-2-ENOIC ACID	NA	NA	1.2324	1.1413
(Z)-LIGUSTILIDE	NA	NA	1.0907	1.2794
(Z)-N-ETHYL-7-[(1R,2R,3S,5S)-3-FLUORO-5-HYDROXY-2-[(E,3R)-3-HYDROXY-3-INDAN-2-YL-PROP-1-ENYL]CYCLOPENTYL]HEPT-5-ENAMIDE	NA	NA	2.2459	0.1289
(Z)-N-ETHYLOCTADEC-9-ENAMIDE	NA	NA	1.3644	0.7534
(Z)-OCTADEC-9-ENOIC ACID [(2S)-2-ACETOXY-3-HYDROXY-PROPYL] ESTER	NA	NA	1.0759	1.2989
ZOLPIDEM	NA	NA	0.7576	1.6145

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

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