Data for (Study ST002576)

(Analysis AN005613)

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	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18	F19	F20	F21	F22	F23	F24	F25	F26	F27	F28	F29	F30	F31	F32	F33	F34	F35	F36	F37	F38	F39	F40	F41	F42	F43	F44	F45	F46	F47	F48	F49	F50	F51	F52	F53	F54	F55	F56	F57	F58	F59	F60	F61	F62	F63	F64	F65	F66	F67	F68	F69	F70	F71	F72	F73	F74	F75	F76	F77	F78	F79	F80	F81	F82	F83	F84	F85	F86	F87	F88	F89	F90	F91	F92	F93	F94	F95	F96	F97	F98	F99	F100	F101	F102	F103	F104	F105	F106	F107	F108	F109	F110	F111	F112	F113	F114	F115	F116	F117	F118	F119	F120	F121	F122	F123	F124	F125	F126	F127	F128	F129	F130	F131	F132	F133	F134	F135	F136	F137	F138	F139	F140	F141	F142	F143	F144	F145	F146	F147	F148
10-hydroxy-2E-decenoic acid	1.0537	0.8148	1.3085	1.2161	0.9361	1.4972	0.4009	0.9481	0.6048	0.5728	0.5797	0.7293	1.0246	0.8121	1.2725	0.3137	0.8984	0.8972	0.3533	1.5515	0.8997	0.8240	1.4908	0.6680	0.4782	0.6589	1.5190	1.0594	0.9623	1.2308	0.7139	0.8326	0.6087	1.5957	1.0128	0.3756	0.6977	0.5661	1.0562	0.6500	0.7386	2.3804	0.5218	0.7121	0.7130	1.0138	0.5865	0.8191	0.6410	2.2351	0.7865	0.6758	0.7505	1.0614	1.8619	1.0476	0.8123	1.5223	0.3859	0.6242	0.7805	0.7439	0.4087	0.6278	0.4631	1.1483	0.7553	0.9319	0.4772	0.5992	0.8705	0.4944	0.6547	1.0275	0.8453	0.5125	0.7881	0.6593	0.9764	2.2861	0.4858	1.5880	1.0848	1.6866	1.3072	0.7099	0.6994	0.5378	0.5267	0.8271	0.5287	0.4387	0.8151	0.8469	0.9895	0.7383	0.7674	0.5163	0.6000	1.1011	0.7602	1.0640	0.9922	0.8862	0.7209	1.3720	1.4426	0.7453	0.7784	0.5560	1.7061	1.0818	0.4820	0.5678	0.8949	1.5477	1.1864	0.4765	3.0302	0.9459	3.0856	0.9239	0.8288	1.1278	0.5105	1.8463	1.0610	1.2868	1.3447	1.0807	0.7085	0.6889	0.9413	1.3961	0.5437	2.4255	0.9886	0.8965	0.9919	1.1884	1.0953	0.9457	1.4439	0.0143	1.1210	1.1000	1.7066	1.1810
10-hydroxydecanoicacid	0.9029	0.9828	0.6200	1.2136	0.5562	0.7504	0.4693	3.7263	0.3265	0.2784	0.7023	0.5118	1.1315	0.6209	0.8670	0.1566	1.2868	0.5056	0.2872	1.1252	1.7071	0.5335	1.9778	0.4347	0.5337	0.3186	0.9525	0.6822	0.6224	0.6369	0.5082	1.7185	0.2959	1.4282	0.3677	0.4476	0.8351	0.9791	0.8022	0.6233	0.6302	2.7192	0.5879	1.0781	0.3970	2.9942	0.8368	1.7491	0.3313	1.9720	0.7508	1.3794	0.2899	1.8825	1.7976	0.9558	0.3438	2.4098	1.0758	0.7183	0.4916	0.7246	0.3594	1.0647	0.7185	4.5646	0.7064	0.6270	0.3670	0.9905	0.5514	0.5769	0.4347	1.2067	0.5946	0.9537	0.7378	0.9447	0.5615	1.8069	0.4496	3.5856	0.7129	0.6373	1.1841	3.2095	0.4961	0.4334	0.8163	0.7843	0.5303	0.7869	0.6206	0.6673	0.8494	0.9483	0.7288	0.6507	0.4698	0.7885	0.7428	0.4680	2.4691	1.6085	2.3132	0.8997	4.1140	0.6976	0.5659	1.2859	2.3072	2.0239	1.2933	2.1272	1.4514	0.9485	0.8938	0.4610	2.3648	0.8455	3.3048	0.8775	0.8014	1.0622	0.4641	1.1800	0.4788	1.1566	0.7048	0.7634	1.0329	0.8604	1.0210	1.3034	0.7936	1.1213	0.7025	1.2161	0.9016	0.8389	0.9479	0.5102	1.0430	0.0130	0.7153	1.2524	1.1280	0.8092
10-Oxodecanoate	1.2483	1.1577	1.6521	1.0603	1.5330	0.9341	0.8134	1.0028	0.8784	0.5778	0.6994	0.8212	0.6598	1.2043	2.5216	0.4577	0.6930	0.5717	0.6789	0.9515	0.5189	0.4866	0.5816	0.6549	0.8132	0.9660	0.9734	1.0472	0.9858	0.7474	0.4143	1.0350	0.8339	0.8818	1.2451	0.6533	1.2534	0.9327	1.4762	0.6083	0.8280	1.5136	0.6969	0.6721	1.0703	1.3327	0.6541	0.6519	0.8923	0.9999	1.1023	0.5222	0.9884	0.9282	1.2519	1.3641	1.5077	1.1579	1.5887	0.7467	1.3003	0.8620	0.7005	0.7847	0.6062	1.0010	0.9314	0.8577	0.9715	0.7360	1.0839	0.7620	0.6113	0.5498	0.8663	0.6769	0.8664	0.6524	0.7775	1.3520	1.6868	1.3480	0.9264	0.6924	0.9852	1.4320	1.2039	1.0607	0.8054	0.8558	0.8114	0.4418	1.4654	1.4109	1.0775	0.7992	1.0133	0.5103	0.9508	1.6850	1.0436	1.4299	0.8890	0.9956	0.4985	1.0042	0.9203	1.0347	0.8734	0.5255	1.1435	0.9078	0.4069	0.5334	0.7131	1.5825	1.0743	0.8237	1.8925	1.3484	1.3838	1.0915	0.8302	1.0209	0.3139	0.6686	1.4177	1.5244	0.8625	1.5178	1.7468	1.2490	1.4836	1.5597	0.7695	1.9048	0.8519	0.9372	1.3502	1.4217	1.6709	0.9105	1.0190	0.0235	0.8333	1.4051	1.3712	0.9044
11(Z),14(Z)-Eicosadienoic Acid	0.5904	1.2163	0.6282	0.9181	0.8580	0.9531	0.5641	1.3546	0.9399	0.9467	1.4690	1.4889	1.3113	1.7654	2.6809	0.7717	1.1718	0.6929	0.8075	0.5556	0.7367	0.6836	0.6132	0.7376	1.1366	1.9530	0.8736	1.3499	1.0667	0.3859	0.5380	1.6201	2.2570	2.4196	1.4395	1.0464	1.5599	1.4189	0.7980	0.4873	0.5297	1.3584	0.6925	0.7885	0.9890	0.6365	1.2029	0.4736	1.0450	0.5469	1.2220	1.0764	0.7543	1.8604	0.8163	0.8506	1.4129	1.2686	1.2937	0.7677	0.6926	1.4002	0.9112	1.1711	0.6431	1.0507	0.8703	1.1152	0.6110	1.0555	0.7565	0.6666	0.8993	1.1402	0.9564	0.6984	0.6704	1.2658	0.4706	0.9168	0.8094	1.7147	1.7303	0.5901	1.6780	1.6921	1.0336	0.7453	0.7352	0.9824	1.1347	0.8320	1.7631	2.2192	0.8405	1.3180	1.3211	0.9081	1.2153	1.1958	2.1249	1.3160	1.5101	0.7109	0.6411	0.6799	0.7530	1.6077	1.3557	0.6846	1.2933	1.1308	1.5309	0.5926	0.6873	1.0262	1.4552	1.2818	0.7577	1.2279	0.7097	0.8742	0.7648	1.0383	0.3090	1.3597	1.6331	2.5139	1.2546	1.3956	1.7487	0.7443	1.0873	0.5561	0.3558	0.8294	0.4024	1.1665	1.1293	1.0075	0.5350	0.5464	2.6889	0.0019	0.6105	1.2655	0.9214	0.8444
11(Z)-Eicosenoic acid	0.6580	1.4302	0.6911	0.8920	0.8400	1.2236	0.5780	1.3307	0.7847	0.7296	1.2300	1.1864	0.8640	1.4851	2.1686	0.6119	1.2214	0.8148	0.7494	0.5207	0.5459	0.5168	0.6942	0.6429	0.9538	2.1524	0.7775	1.2284	1.0229	0.2172	0.5610	1.3528	2.2559	2.7443	1.7306	1.0525	1.5222	1.1732	0.9933	0.4315	0.5143	1.7549	0.9232	1.2456	0.8954	0.5515	1.0497	0.5384	1.0317	0.4349	1.3142	1.4308	0.5554	2.1551	0.9831	0.9528	1.4432	1.0144	1.0047	0.6768	0.6141	1.1714	0.6994	1.0457	0.5832	0.9174	0.7132	1.2526	0.4353	0.9021	0.6194	0.6071	0.8265	1.0874	1.0052	0.5631	0.6515	1.1229	0.4205	0.9139	0.6165	1.7993	1.7621	0.4589	1.6499	1.6947	0.9179	0.5429	0.5724	0.8927	1.2036	0.8464	2.2747	2.3987	0.8870	1.1759	1.0635	0.9135	1.1722	1.1002	1.8889	1.4110	1.2354	0.7302	0.6236	0.6418	0.8032	1.0878	1.0129	0.7941	1.0738	1.1727	1.1512	0.4619	0.7084	1.1870	1.3211	0.8865	0.6465	1.2507	1.0269	0.8851	0.9586	0.8734	0.3540	1.5414	1.7072	2.9099	0.9141	2.3267	1.3151	0.9991	0.9812	0.5909	0.3518	0.7702	0.3779	1.5101	2.2360	0.7238	0.5394	0.4416	2.9055	0.0023	0.7387	2.0440	1.0352	0.9189
12-Hydroxydodecanoicacid1	0.3454	0.8427	0.4194	0.8469	1.9233	0.7576	0.5693	1.7009	0.7425	0.7677	0.7429	1.4842	1.1403	3.0342	2.6617	0.5002	0.6651	0.5633	0.6287	0.3710	0.7649	0.6087	0.4688	0.6593	1.6669	1.4411	0.8245	1.4020	1.2657	0.3092	0.6950	0.8337	1.8832	0.9944	1.7190	1.5889	0.8956	2.1959	0.7118	0.3070	0.5789	1.2435	1.7366	1.6789	0.8771	0.5571	1.3964	0.3988	1.2949	0.3972	0.8595	0.5414	0.5641	1.6656	1.1596	1.2856	1.4805	1.1960	0.7711	0.7833	0.4170	0.4950	1.6328	1.3659	1.0977	1.3610	0.4941	0.7248	0.7392	1.4674	1.2956	0.7597	1.1496	0.7076	0.5823	0.5178	0.6725	0.6802	0.6812	1.1881	0.9407	1.4327	1.3334	0.2512	1.3509	1.8234	2.9113	1.1269	0.7457	0.4851	2.2029	0.4596	1.3509	1.9742	0.5689	0.9150	2.2036	1.2338	0.8730	1.4601	2.0235	1.1434	1.9644	0.5061	0.6886	0.7030	1.2154	0.9852	1.0845	0.4013	1.2235	0.6482	0.8779	0.4465	0.7537	1.2745	1.7976	0.9906	0.8710	1.1509	1.6312	0.7789	1.3051	0.7088	0.2733	0.6806	1.6608	3.3484	1.2834	1.2336	3.0506	1.3805	2.5814	0.7968	0.6385	1.4657	0.4931	1.2698	2.4154	0.9394	0.7074	0.4054	0.9594	0.0127	0.8025	1.6691	0.7596	0.5641
12-Hydroxydodecanoicacid2	0.1087	0.2895	0.1028	2.6494	0.2552	2.3258	0.0848	0.3750	0.0861	1.4164	3.2495	0.2626	0.1055	0.4434	0.3541	0.1376	0.0871	0.2147	1.1690	0.4316	0.1409	0.0951	0.1269	0.0795	0.2715	1.1734	0.1895	1.9872	0.1235	0.1055	0.1204	3.4169	0.1107	0.1887	0.1320	0.0896	0.0968	0.1435	3.6883	0.0918	0.1722	0.3249	0.1876	0.1734	0.0905	0.0928	4.4480	0.2242	2.8129	0.2709	0.9688	0.0926	2.6460	7.2471	0.1885	0.1406	0.1498	8.9352	0.1161	3.2833	0.0942	2.4121	0.0948	3.8487	0.0941	0.2483	2.4478	0.0890	1.6384	0.2676	2.5547	1.9043	0.1025	0.0948	2.1186	2.9345	0.0932	0.1057	0.8520	0.2562	0.1345	0.3995	0.1142	0.3066	0.1726	10.0046	0.2976	0.1047	2.8061	2.9495	0.1900	0.0946	0.2841	0.0945	2.2412	2.3474	0.1952	0.0986	0.1147	0.3435	0.1597	0.3355	0.3561	0.0925	4.3064	0.0988	0.1786	3.5465	0.1192	0.1353	0.3875	0.1339	0.0976	0.3037	0.0949	0.1518	0.3216	0.4555	0.1067	3.1523	0.4279	0.1146	2.9123	0.1448	0.0890	1.6502	0.2024	0.2118	0.0904	2.7136	0.2717	2.4909	4.2730	0.1957	2.9436	0.1593	0.1061	3.2382	3.4898	0.5444	0.6995	0.1057	4.2636	0.1063	0.1381	0.1317	0.8619	1.6078
1_3-Dimethyluricacid(Oxytheophylline)	0.1166	0.1030	0.3560	0.1335	2.4965	0.1120	1.8897	0.2374	0.0776	0.2254	0.3106	0.4365	0.1735	0.1126	0.2628	0.1082	0.0731	1.1376	0.1133	0.4267	0.2118	0.1052	0.0827	0.0677	0.1036	0.1702	0.5874	0.3007	1.5532	0.4248	6.6047	1.4027	0.1311	0.9403	0.7901	0.1238	0.2547	0.1514	5.6590	5.3357	1.7627	4.6368	3.9029	1.8333	0.7712	0.4868	2.1899	3.0139	0.3763	0.1289	0.6862	0.6036	0.1388	0.1042	0.1426	0.4721	0.1429	0.4269	0.3920	1.6668	3.6456	0.8145	0.2710	0.1618	0.1277	0.1995	0.0993	2.1592	0.0977	0.1175	1.8217	0.6735	0.1445	0.1267	0.1104	0.1177	6.3893	4.5093	0.7421	1.5749	0.3216	0.1025	0.6600	0.1378	0.1319	0.1244	0.0926	0.8949	0.9763	1.9060	0.4074	0.0933	0.1365	0.1867	1.5890	0.2293	0.0122	0.1190	1.2624	0.1154	0.5298	24.6248	0.1405	0.4590	2.1377	0.2209	5.8479	0.0887	0.1021	0.0816	3.2466	0.1970	0.0855	0.0787	2.2060	2.9995	1.9878	0.1342	0.4105	0.4974	10.9708	0.2510	2.5365	0.4089	0.1122	0.1184	0.1172	0.0844	0.0948	1.6012	0.0800	0.7540	0.0966	8.4994	0.0794	0.2422	0.3000	0.1042	0.6288	1.3597	0.0734	0.0794	0.4883	0.0240	0.0809	0.1895	0.3749	0.7781
14-hydroxy-12-tetradecenoic acid	0.3598	0.8782	0.5220	1.2901	1.5820	0.6494	0.6279	1.6285	1.1492	1.1229	0.7027	1.4420	1.2712	3.0517	2.4151	0.4047	0.7776	0.9045	0.5213	0.3882	0.8084	0.6532	0.5732	0.7677	1.6787	1.7203	0.9665	1.4709	1.2465	0.3198	0.6304	0.9322	1.6941	1.0456	1.6842	1.3907	0.9024	2.1341	0.8906	0.3357	0.5985	1.2046	1.3400	1.5045	0.8893	0.5438	1.4669	0.3740	1.2726	0.3433	0.7506	0.5928	0.5745	1.5017	1.1345	1.0725	1.5930	1.1902	0.4017	0.7984	0.4188	0.5306	1.4762	1.2597	0.9222	1.2211	0.5996	0.6695	0.7116	1.2954	1.1046	0.7637	0.7424	0.7612	0.7119	0.4821	0.5412	0.7831	0.5187	1.1621	0.7995	1.2548	1.7158	0.3035	1.5887	1.7958	3.2210	1.1758	0.5985	0.6754	2.3306	0.4025	1.2985	1.8789	0.6326	1.3867	1.8335	0.8763	1.1387	1.1602	1.9425	1.7707	1.8525	0.6077	0.6758	0.8224	1.1935	0.9456	0.8588	0.5320	1.2236	0.5925	0.8499	0.4627	0.6095	1.5301	1.8587	1.0481	0.9582	1.2616	1.3826	1.0371	0.9912	0.7100	0.2243	0.9025	1.8919	2.8865	1.4065	1.2411	3.0824	1.4401	2.3280	0.8417	0.5822	1.5470	0.5293	1.6341	2.5028	0.9089	0.6728	0.4846	1.0254	0.0125	0.5601	2.0605	0.7380	0.5864
1_5-Anhydro-D-mannitol	1.0986	0.7898	0.9329	0.4161	0.1042	1.5435	0.7958	0.5539	0.8695	0.8168	1.0491	1.2383	0.8438	1.7584	0.9453	0.8931	0.6673	0.9044	0.8093	1.8104	1.2386	1.4051	0.7634	1.1330	0.8782	0.0184	1.4729	1.0495	0.5844	1.5546	1.2010	1.1992	0.8526	0.8225	0.0120	0.0945	1.8269	1.1808	1.2401	0.9803	0.6405	0.4919	0.8702	0.9449	0.8175	0.6114	1.3258	0.8677	1.2818	0.8737	1.2557	0.9340	1.4499	0.6097	0.8708	0.8903	1.4203	0.7020	0.8596	0.7817	1.1180	0.4522	1.0912	1.0992	0.6466	0.4714	1.5568	1.0745	1.2608	1.1460	1.1789	1.0407	0.3796	0.5821	1.0437	0.7769	1.1025	0.8404	1.3824	1.1869	1.4630	0.9505	0.0400	2.0135	0.0904	0.4046	1.7029	0.0550	1.1129	0.2261	1.1100	0.4904	1.2719	1.0867	1.5260	1.1920	1.3897	0.9681	1.6517	1.7267	1.3330	1.5962	1.0589	1.5775	1.0180	1.6251	0.9746	1.2746	0.8328	0.8551	0.1761	0.6244	0.5346	1.1778	1.4478	1.3537	1.5304	1.5515	1.4125	1.2646	0.0329	1.5723	1.0062	1.3664	0.6058	1.0150	1.5913	1.2952	1.3557	1.1154	1.2506	1.2958	1.2238	1.6615	2.3163	1.4575	1.7128	0.9130	0.9879	1.7013	1.7874	1.4500	1.8590	0.0062	1.1579	1.2649	1.0251	1.2390
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid	0.1521	0.2364	0.0577	0.1290	0.0680	0.0513	0.0601	0.0520	0.0477	0.0799	0.0709	0.0737	0.0809	0.0951	0.2556	0.1091	0.0445	0.1744	0.1216	0.1123	0.0454	0.0505	0.0270	0.1009	0.1393	0.0850	0.0562	0.1006	0.1643	0.0604	0.0728	0.0689	0.1100	0.0983	0.0501	0.1091	0.1114	0.1020	0.1203	0.0430	0.0928	0.0810	0.1017	0.0573	0.1098	0.0760	0.1041	0.0408	0.0886	0.1707	0.1376	0.1963	0.0774	0.0889	0.0905	0.1208	0.0724	0.0631	0.2673	0.1021	0.1200	0.0555	0.0750	0.0805	0.1191	0.1431	0.0573	0.0733	0.0559	0.0711	0.1672	0.1234	0.0413	0.0935	0.1017	0.1211	0.1499	0.1098	0.1221	0.0769	0.0795	0.0312	0.0440	0.0690	0.1081	0.1501	0.1563	0.0678	0.0637	0.0734	0.1252	0.0594	0.1785	0.2168	0.1369	0.1493	0.1102	0.0961	0.0935	0.1773	0.1511	0.1370	0.1623	0.0648	0.1479	0.0648	0.0544	0.0684	0.0999	0.0861	0.0186	0.1240	0.0675	0.1693	0.0512	0.1611	0.0970	0.0313	0.0327	0.0432	0.1103	0.1306	0.1350	0.0935	0.0880	0.0515	0.0762	0.0512	0.0562	0.0772	0.1093	0.0670	0.0590	0.0730	0.0398	0.0496	0.0980	0.0080	0.1420	0.0518	0.0868	0.0469	0.0986	0.0053	0.0400	0.0626	8.0372	0.6215
1,6-Dioxacyclododecane-7,12-dione	1.1445	2.3450	0.6784	1.1181	0.7484	1.4202	0.3853	0.8869	1.1645	1.1443	1.3538	1.2908	2.2623	1.0125	16.5039	0.3577	1.6023	0.6774	0.3408	0.4901	0.3261	0.7051	0.3840	0.2237	1.0388	1.0238	0.4686	0.9164	2.1594	0.2412	0.3866	2.6687	0.4627	0.4877	1.3891	0.3900	0.5633	0.8492	0.6543	0.0778	0.9162	1.9253	0.3200	0.1230	1.5996	4.1171	0.3793	0.5292	3.3480	0.7354	0.9522	0.6199	0.4279	0.7979	2.3412	1.5639	3.9679	2.3394	0.6056	0.5481	0.3573	0.3840	0.1893	1.1068	0.7930	1.0436	0.0997	0.0405	0.3000	0.1762	0.2960	0.3214	0.4133	0.2923	0.3923	0.2614	1.4760	2.3475	0.5453	2.1386	0.6480	3.1108	0.3922	0.6715	0.5543	2.2713	0.9990	0.6679	0.2541	0.3287	0.4037	0.0944	3.5173	1.5755	0.5575	1.3291	0.9315	0.5323	0.7474	0.6777	1.0537	5.5314	2.1173	2.5584	0.8230	0.2670	0.4065	0.0976	0.3180	0.2447	1.0318	1.2935	1.4514	0.6423	0.7784	0.8146	1.1371	0.3975	0.8127	1.3448	1.9462	0.6994	0.4436	0.5279	0.3856	0.6392	1.3277	2.3891	0.3653	2.5507	0.8515	2.9505	0.6361	0.6082	0.2260	1.2804	0.4202	0.5618	1.1363	0.5233	1.2594	0.7680	0.8711	0.0944	0.4651	0.9076	0.5435	1.2730
16-Hydroxyhexadecanoic acid	0.4736	0.6843	0.8274	0.5677	1.0019	0.9622	0.5341	0.5923	0.5920	0.3974	0.7884	0.9485	0.5517	1.9234	1.2256	1.0944	0.4128	0.8389	0.4775	0.7251	0.7373	0.1267	0.5126	0.4836	0.4683	0.9181	0.9548	1.3695	1.0154	0.4720	0.2855	0.7696	1.0436	1.4573	0.1581	0.4538	1.2274	0.5677	0.8342	0.6006	1.1016	3.1361	0.5587	0.7892	1.0791	0.3879	0.9645	0.2593	0.7593	0.5291	0.9472	0.9153	0.4810	0.8150	0.8893	0.7387	1.4518	0.5744	1.1826	1.1301	0.6222	0.3462	0.9180	0.4884	0.7049	1.1529	0.6897	1.4188	0.6651	0.7947	0.6706	0.4245	0.8430	0.5599	1.0338	0.9961	0.8262	0.6941	0.4680	0.8504	0.7926	0.7418	1.4742	1.3028	0.6265	0.8088	0.6897	0.5897	0.5316	1.1733	0.8742	0.2784	1.1235	1.3293	0.6634	0.6453	2.2345	1.0414	1.4784	0.9626	0.7661	0.9925	0.8429	0.7487	0.6872	1.3738	1.1256	0.3554	0.5630	0.7085	1.2772	0.9577	0.3872	0.4305	1.0575	0.8262	0.9892	1.8957	0.8101	1.4802	1.6418	0.6255	0.7467	0.6677	0.3001	1.4401	1.1318	3.7419	1.3540	1.4666	1.8186	2.0687	2.2444	0.6273	0.4380	1.2193	0.4304	0.8997	1.4542	0.5823	0.8859	0.8477	3.0112	0.0166	0.4047	1.3510	2.0179	0.9995
16-O-sulfo-18-norisopimar-7-en-4α,16-diol	1.1091	0.7878	0.3309	0.1074	0.3291	0.1864	0.3037	0.2939	0.9348	0.1504	0.8488	1.0348	0.1423	1.1356	0.9313	0.2304	0.6150	0.2760	0.3809	0.1761	0.1974	2.3661	0.8098	0.4746	0.1803	2.5596	3.4223	0.6652	0.8890	0.7918	0.4905	0.5624	0.2280	0.0680	1.1554	0.2948	1.5984	0.5223	1.0015	0.6643	0.0643	0.0664	0.6556	0.6521	1.3875	0.3375	0.1158	0.1570	1.7956	1.4924	0.6917	0.2595	3.1064	3.1721	4.4773	5.0633	1.9491	0.6943	0.2399	0.2042	0.6094	0.7904	0.7936	0.1786	0.2172	0.1120	0.0912	0.1972	0.6134	0.5399	0.3981	0.2954	2.6541	0.1040	0.7497	0.6091	1.2416	0.2632	1.1874	0.3117	0.5284	0.2591	2.5706	4.8725	2.4467	0.4596	0.7387	1.0492	0.7837	1.6128	1.2232	1.1121	2.6654	1.3113	0.2165	0.1594	0.3917	0.6022	0.3619	0.7915	0.7813	2.5392	1.0208	0.7388	0.2357	0.1870	0.1718	0.6281	0.1860	0.3057	1.4659	0.4136	0.5537	0.7786	0.3537	1.8163	0.4843	5.5412	0.5783	0.7907	0.3901	3.2603	0.7294	0.4548	1.4646	0.6441	5.8524	0.5102	0.6629	0.9206	0.7430	0.2476	3.9114	0.8210	1.1945	1.9389	1.7032	0.4404	0.0316	1.2817	0.1764	0.6071	0.6711	0.0171	1.5447	0.7010	1.5026	1.5188
19:1(12Z)	0.9876	1.9416	0.7521	1.1553	1.3001	1.2086	0.7666	1.6818	1.0016	0.8870	1.3419	1.1765	0.9008	1.8847	2.6581	0.5423	1.5404	0.9756	0.7209	0.5911	0.7268	0.7796	0.6686	0.7059	1.0965	2.4891	1.1218	2.0016	1.7817	0.4721	0.5407	1.7692	1.7192	1.9168	1.7751	1.0220	1.4117	1.3242	0.9207	0.4351	0.8022	1.9303	1.2671	1.4383	1.0087	0.6506	0.9426	0.5780	0.9358	0.3641	1.7582	1.4754	0.6432	1.5454	1.2781	1.3571	1.2533	1.0233	0.5563	0.7714	0.6087	1.1702	1.0950	1.1622	0.8495	1.2908	0.7440	0.9628	0.5690	0.7735	0.7542	0.6081	1.1504	1.2412	0.9661	0.5478	0.6369	1.3801	0.5352	1.1443	0.7806	1.5449	1.3931	0.6000	1.2665	1.6575	0.9061	0.7644	0.6491	1.2769	0.9937	0.6359	1.9597	2.2452	0.9617	1.2144	1.2297	0.9454	1.4425	1.3495	1.9869	1.6830	1.5479	0.6827	0.3071	0.8234	0.8830	1.2358	0.8258	0.8621	1.6751	1.3119	1.2401	0.4992	0.9843	1.0212	1.4564	0.7256	0.5206	1.2042	1.6022	0.6467	1.0866	1.2097	0.2968	1.8401	1.5235	2.5439	1.1374	1.7724	1.6031	0.7949	1.3297	0.6212	0.3315	0.9489	0.5891	0.9192	1.6043	0.9494	0.9730	0.5328	2.4024	0.0072	0.6310	1.6977	0.4997	0.9527
1-deoxynojirimycin	1.1921	0.9408	0.9375	0.9925	0.7679	1.0917	1.6379	1.4568	1.2920	0.4984	0.9820	0.7498	0.7934	0.9598	1.2659	1.5048	1.3078	0.8339	0.9019	1.0334	1.0688	1.7207	1.8001	1.6003	0.8185	0.6849	0.3790	1.2410	0.8257	1.5180	1.7197	0.8999	0.9473	1.2436	1.2889	0.5944	1.3259	0.8963	0.7255	0.8143	0.8602	0.8625	0.4471	1.1859	1.2812	1.1662	0.9180	0.8536	1.7588	2.1426	0.7413	0.7065	0.8363	1.0015	1.9119	1.7248	1.3666	0.6825	0.8172	0.9496	1.2622	1.0385	0.7101	0.5176	0.7187	1.0396	1.4561	1.0262	1.0205	0.8237	1.2342	0.8446	1.1017	1.0001	1.0451	1.6890	1.2529	1.0881	1.2344	1.1159	0.7876	0.7072	0.6300	0.4974	0.7017	1.2506	1.4896	0.7747	1.2594	1.3132	1.0936	1.2799	1.0341	0.7308	0.7862	0.8200	0.8925	0.8611	1.7416	1.2255	1.1661	0.8131	0.7256	1.6313	1.1373	0.6361	0.7015	0.8013	0.6408	0.8312	1.4138	1.8029	0.6850	0.9338	1.2953	1.2075	0.7045	1.2063	1.3267	0.9578	0.6348	2.6870	1.2566	0.3150	1.2207	0.6740	1.4405	0.8790	1.3095	1.1212	1.0080	1.4799	3.5257	0.7165	1.4742	0.0122	1.6141	0.9792	0.4807	1.0441	0.7507	0.5395	0.4058	0.0185	1.6664	1.4324	0.8692	1.3013
1-Methoxy-dec-2-ene-4,6,8-triyne	1.0020	0.6720	0.6505	0.6714	0.7716	0.6267	0.7341	0.6879	0.9825	0.6432	0.5965	0.8023	0.6113	0.6113	0.7802	0.7086	1.0543	38.6443	0.8810	0.7842	1.1712	0.7198	0.8543	0.6830	0.6372	0.7167	0.6727	0.7601	0.6546	0.8377	0.6500	0.6558	0.5858	0.6207	0.6555	0.5831	0.6288	0.8883	0.9431	0.6615	0.7040	0.5696	0.6049	0.8706	0.6140	0.6952	0.7178	0.6259	0.6858	0.6314	0.9998	0.8311	0.6721	0.6065	0.6567	0.7610	0.7580	0.6634	0.6440	0.7360	0.6695	0.6425	0.7997	0.6202	0.9975	0.8444	0.7744	0.6351	0.7122	0.9382	0.5883	0.6791	0.6973	0.8703	0.6040	0.7186	0.7476	0.6039	0.6258	0.7598	0.9819	0.8384	0.9524	0.7797	0.9016	0.6666	0.6915	0.6413	0.6421	0.9316	0.9156	0.9997	0.7685	1.1400	0.8392	0.9317	0.9006	0.9410	0.7805	0.7301	1.0543	0.8104	1.0311	0.8033	0.7313	1.2397	0.7410	0.7024	0.6901	1.0041	1.2858	0.6394	0.7033	0.8540	0.7647	0.8212	0.7323	1.0716	0.8832	1.1053	0.7813	1.0076	1.3450	0.7435	0.7874	0.6780	0.9453	0.7194	0.6811	1.5364	0.9069	0.7886	0.7808	0.9408	0.7630	0.8862	0.7766	0.7678	0.6675	0.7041	0.6975	0.7852	0.9110	0.6726	0.6880	0.7723	0.8342	0.7511
1-methylpropyl-tridecanolide	0.7757	1.8525	1.0674	0.9651	1.2484	0.9836	0.8250	1.2443	1.1228	0.8211	1.4173	1.3488	0.7688	2.3133	1.8744	0.5258	1.2316	0.8573	0.7711	0.6024	0.8779	0.8502	0.6140	0.7740	0.7181	1.6243	1.1843	2.6535	2.0195	0.3515	0.4624	1.9683	1.2259	1.3270	1.0690	0.7342	1.3627	0.9849	1.0155	0.4602	1.0087	2.1176	1.0482	1.3152	1.3435	0.6624	1.2446	0.5102	0.9357	0.4223	1.8285	1.2200	0.5891	1.1280	1.3394	1.1067	1.3835	0.7817	1.3466	0.7444	0.7813	1.0288	1.2565	1.0375	0.9538	0.9863	0.6549	0.7020	0.5699	0.7407	0.7136	0.5356	1.4383	1.2025	1.1964	0.4925	1.1290	1.8573	0.6120	0.8728	0.5785	0.9544	1.2976	0.8248	0.8771	1.5566	0.8752	0.5370	0.3913	1.0815	0.7661	0.5114	1.6560	2.3411	1.0082	1.1265	1.4603	0.9719	1.5856	1.2700	1.4861	1.4508	1.2088	0.8221	0.5455	1.0782	1.2969	1.0624	0.7533	0.8783	1.3254	1.4737	0.8999	0.4806	0.9712	0.7606	1.5078	0.8215	0.5994	1.0443	1.4476	0.6388	1.0055	0.9618	0.3557	1.6002	1.6133	2.2116	1.1250	1.4205	1.2320	1.0232	1.1043	0.5556	0.3776	0.9296	0.5139	0.7745	1.7808	0.7423	0.8082	0.4409	2.5072	0.0028	0.5739	1.3631	0.9285	1.0134
1-Methyluricacid	1.4024	0.1231	0.7507	0.1204	1.4472	1.0509	1.6743	0.4294	0.1328	0.0908	0.4682	0.4077	0.1300	0.0958	1.5358	0.5985	0.2824	2.3759	0.5549	1.0303	0.9089	0.1345	0.2775	0.0879	0.4731	0.4149	0.6856	0.8086	2.8829	0.8901	4.8320	1.3703	0.1584	0.9652	0.9969	0.2973	1.3053	0.2696	3.1982	3.2986	0.8293	1.0911	2.6388	1.2162	1.1169	1.0400	0.9331	1.7403	0.9234	0.4839	1.9394	1.8680	0.4265	0.7073	0.6619	1.9554	0.7513	0.2316	0.8653	1.8779	1.0440	0.5194	0.4555	0.0761	0.2323	0.6962	0.3320	1.2590	0.0606	0.1292	1.0076	0.5955	0.1339	0.1212	0.4153	1.4778	1.5164	2.1439	0.5220	1.5568	0.5176	0.4780	0.7151	0.0979	0.1100	1.0304	0.0341	0.6338	0.8156	3.4273	0.4889	0.7518	0.5030	0.3684	1.7524	0.9182	0.7200	0.3881	2.0221	1.2175	1.6222	12.7939	0.8116	0.2092	1.6416	0.5783	3.9977	0.2817	0.2358	0.7564	1.2333	0.0597	0.1115	0.1617	2.1508	0.9068	1.8010	0.0399	1.6052	0.5568	8.8096	0.4952	2.1540	0.5331	0.1551	1.1022	0.0929	0.1339	0.0327	3.3328	0.2217	0.4740	0.0599	2.7198	0.0594	2.6029	0.1799	0.0509	1.1483	1.0410	0.8376	1.5721	0.7065	0.0101	0.0469	0.7222	0.9397	1.3655
1-Phenyl-1,2-propanedione	1.1046	0.9216	1.1119	0.6250	1.0181	1.0617	1.0902	0.5992	0.9606	0.8055	0.9809	0.9439	0.7327	0.9868	0.7488	1.2138	0.7701	0.9798	0.9615	1.1709	1.1264	1.1674	0.9675	1.0615	0.8924	0.8732	1.0790	1.2774	1.0224	1.6396	1.0537	0.8787	0.8493	0.5658	1.2179	0.7618	1.1492	0.7980	1.1213	1.1516	1.3390	1.1920	1.0665	0.9606	1.2454	0.7553	0.9290	0.7970	1.3430	0.9642	1.3951	1.0212	1.0692	0.8532	1.3713	1.2845	0.9883	0.7880	1.7484	1.0654	1.2383	0.7741	1.0001	0.8024	1.0290	0.9619	1.1593	0.9619	1.0654	1.0254	0.9768	0.9456	1.2805	0.7430	0.9395	1.1266	1.1850	0.9793	1.1881	1.0696	1.0282	0.9661	1.0478	1.3507	0.8395	0.7151	0.9249	1.3755	1.0451	1.1297	1.1513	1.0864	1.0736	1.0309	0.9391	0.9795	1.0359	0.8884	1.0918	1.1263	1.0791	1.1119	0.9963	1.0626	0.9323	1.5705	1.2113	1.0502	0.9146	0.8952	0.8424	0.9369	0.5124	0.9433	1.3233	1.1855	1.2158	0.9802	1.1897	1.3020	1.2075	1.4133	1.0500	1.1516	1.3463	1.0462	0.9698	0.9110	0.9636	1.1468	0.9430	1.0310	1.0188	1.2251	1.2312	1.3098	1.1658	1.1584	1.3123	1.1980	0.9824	1.0007	0.9988	0.0127	1.0386	1.1170	1.0933	0.9719
1-Pyrroline-4-hydroxy-2-carboxylate	0.6474	0.8104	0.5488	1.0749	0.5860	0.7633	0.7040	0.6484	0.5951	1.0628	0.4955	0.4207	2.1874	0.7066	1.0447	0.5407	0.7538	1.1339	1.1030	0.6332	0.5912	0.6163	0.5290	0.5680	0.6456	0.3994	0.4236	0.7702	0.9521	1.3528	0.8624	0.5627	0.4550	0.5877	0.7557	0.9818	0.6366	1.2209	0.7840	0.9180	1.2169	1.7753	1.4124	1.3612	0.6222	0.6124	0.5985	0.6749	0.8307	0.8456	0.7536	0.6458	0.8474	0.8256	0.9101	1.0866	0.9652	1.0388	1.0698	0.8709	1.2040	1.2480	0.8048	1.1805	1.2040	1.2945	0.4975	0.5955	1.3129	0.5751	0.5975	1.3790	0.9218	1.0122	1.2356	0.7869	1.2788	1.5018	0.7030	0.7273	0.5496	1.2634	0.4520	0.8099	0.5647	0.7084	0.7231	0.6481	0.6068	0.7914	0.6596	0.6620	0.6319	0.8752	0.7507	1.3140	0.5708	0.6130	0.4666	0.7845	0.7255	0.7885	0.6587	0.7856	1.3579	0.8456	0.7922	0.5613	0.7408	0.5639	0.7512	1.1931	0.8142	0.4255	0.8683	1.1483	0.8768	1.1168	0.9308	0.4810	0.8882	1.7455	1.5933	0.5463	0.9959	0.7863	0.7813	0.5370	0.8635	0.8263	0.4555	0.6083	0.7881	0.8592	0.6086	0.8099	0.7305	0.7098	0.5791	0.4562	0.5128	0.5860	0.5564	0.0070	0.7181	0.5446	2.6933	0.9623
(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid	0.9601	0.3896	0.2683	0.5120	0.6593	0.2874	0.2925	0.2670	1.1480	0.2554	0.9117	0.2442	0.2979	1.6864	0.8912	1.3830	1.6634	0.4097	0.3837	2.0468	0.2437	1.2450	0.9651	0.7431	0.4290	1.0852	0.7902	0.2609	0.8207	0.2033	0.7610	1.6793	0.6376	0.2005	1.2101	0.2875	0.7299	0.3296	2.9510	1.1483	1.4848	0.3974	1.2377	1.2736	1.0606	1.0003	0.3931	0.5230	0.0785	0.7425	0.6059	0.5271	1.8977	0.7160	1.6638	2.0035	1.3555	0.2342	1.1904	0.4451	0.3941	0.2481	0.3209	0.6789	0.4313	0.3010	0.9812	0.5833	0.5329	1.1024	0.3744	0.2410	2.5730	0.6963	0.2334	0.4009	1.0545	0.3880	0.2704	0.2595	3.3852	0.3283	3.4998	0.4525	0.3325	0.8617	1.5639	2.2871	2.3963	0.4547	2.4914	1.7951	0.6811	2.3539	0.3454	0.2499	1.1608	1.7588	0.2552	1.4512	0.1603	0.4963	0.8790	2.6336	0.3024	0.8488	0.4127	2.9086	1.7028	0.2420	0.4711	0.4779	0.3257	1.0323	0.2017	1.5695	1.9635	2.5018	1.6532	0.5653	0.0617	0.4277	2.0513	2.9144	1.6398	0.3616	1.7886	0.6106	0.3944	1.5441	1.9276	1.4492	3.1960	1.5384	3.3854	0.4738	2.9105	1.9739	0.4473	1.4404	0.4005	0.3574	0.1633	0.0975	0.3909	1.3598	1.4677	0.2227
1-Thio-beta-D-glucopyranose	1.3497	0.1969	1.5509	0.5691	0.5222	0.6033	0.1432	0.2917	0.2507	0.5518	0.5068	0.1490	1.5444	0.1559	0.3066	1.2790	1.1329	5.4505	0.5785	0.4343	1.0916	0.6436	0.8043	0.2887	0.2319	0.2153	0.4663	0.6266	1.3742	0.9475	1.3269	2.4200	1.6493	4.2858	1.1429	0.8960	1.7948	1.6348	1.9887	1.0464	0.5283	17.4745	0.6281	0.3247	0.6304	3.2410	0.4354	0.8241	1.7102	9.5851	1.9608	2.1820	0.6479	3.2231	2.7629	1.7360	0.1740	2.3281	1.4435	0.5639	0.7608	5.1999	0.1288	1.6299	0.7283	1.3026	0.4853	0.6555	0.5322	0.2197	1.1862	0.9156	1.2617	0.6526	0.1461	2.9162	0.7101	0.8926	0.8170	0.7055	0.7995	0.4460	0.3815	1.6435	0.2795	2.0539	0.1970	0.3321	0.4308	0.1475	0.2623	0.7041	0.2124	0.2846	1.1114	0.9659	0.2264	1.0414	0.8317	0.1843	0.1523	0.2694	0.3023	0.2097	0.5405	1.1500	0.2270	0.1681	0.4751	0.3132	0.3352	0.8123	1.0668	0.8572	0.2859	0.2354	0.2162	0.4704	0.9895	0.5630	4.3852	0.2440	0.1588	0.8619	0.5581	0.4500	0.3136	0.2348	0.1393	0.7002	0.1647	0.6827	0.3560	0.5392	0.3242	1.4585	0.7929	0.2068	0.5577	0.3810	0.9060	0.9275	0.4620	0.1258	0.4558	0.1880	0.9254	0.6065
2,2^-Methylenebis(6-tert-butyl-4-methylphenol)	0.0325	0.0304	0.0440	0.0430	0.0529	0.0718	0.1056	0.2485	0.1343	0.0451	0.0573	0.0323	0.0643	0.0490	0.1748	0.0772	0.1165	0.0411	0.0539	0.0366	0.0624	0.0543	0.0694	0.0985	0.0473	0.0542	0.0374	0.1240	0.0452	0.2091	0.0875	0.0393	0.0392	0.1843	0.0392	0.0547	0.0544	0.2851	0.0435	0.1948	0.0283	0.1455	0.0742	0.3536	0.0382	0.0379	0.0666	0.0630	0.1867	0.0715	0.0452	0.1326	0.4513	0.0326	0.7248	0.1522	0.1109	0.0640	0.0666	0.0759	0.0334	0.0856	0.1033	0.0385	0.0809	0.1215	0.0382	0.2375	0.2762	0.0496	0.0432	0.0652	0.0793	0.0431	0.0469	0.0458	0.0392	0.1166	0.0487	0.0631	0.0933	0.0303	0.0982	0.2031	0.1477	0.0927	0.1644	0.0493	0.1001	0.0549	0.8635	0.0929	0.1978	0.1007	0.1855	0.0668	0.0902	0.0666	0.3715	0.3821	0.1134	0.1732	0.1419	0.1295	0.3205	0.0594	0.0725	0.0584	0.3617	0.0424	0.0931	0.1372	0.0350	0.0740	0.3394	0.1798	1.0230	0.1414	0.2260	0.0687	0.0643	0.2105	0.1765	0.1623	0.1017	0.0366	0.2384	0.0819	0.5399	0.2535	0.0967	0.0917	0.0870	0.3663	0.0582	0.0496	0.1124	0.1893	0.0329	0.1530	0.0682	0.1156	0.0822	0.0057	0.0285	0.8120	0.0833	77.2877
2,4-diaminopentanoic acid	1.0793	1.1807	0.6671	1.8469	1.3271	1.4893	1.1993	0.5238	1.2612	0.3927	2.0799	1.3085	1.3734	1.1883	0.4774	1.7638	1.7403	1.8142	3.7693	0.4977	2.0848	0.7500	2.1915	2.1582	1.6809	1.2957	0.0386	2.5683	1.9538	3.4804	3.4291	1.3156	0.9598	0.8694	0.8453	3.1105	2.3310	2.9284	1.2106	4.2898	2.2497	3.2551	2.5471	3.0667	1.5901	1.5682	0.6119	1.3981	0.6152	0.4760	2.0799	3.5008	1.0428	1.1603	2.5647	2.9002	1.6721	1.7910	0.7675	3.1285	2.4335	3.3844	1.5558	1.2711	1.6589	0.9937	1.3009	2.3702	3.4762	0.9595	1.7291	1.6344	1.1970	2.1593	2.6171	0.9797	2.8267	3.0107	2.2190	0.8915	0.1828	0.1350	0.1069	0.5160	0.0259	0.2844	0.1312	0.2950	0.2049	0.2385	0.1254	0.3886	0.1447	0.0840	0.1230	0.2710	0.2398	0.2033	0.1152	0.0121	0.1443	0.0443	0.1824	0.1084	0.7064	0.2212	0.1901	0.0191	0.2702	0.3741	0.0294	0.2810	1.5348	1.8261	0.6195	0.1363	0.3235	0.3814	0.6420	0.1047	0.2919	0.1847	0.2424	0.3804	2.2236	0.3009	0.4264	0.2897	0.3473	0.4035	0.2286	0.2779	0.0455	0.3296	0.2048	0.0751	0.2165	0.2886	0.0291	0.0299	0.3423	0.1581	0.2839	0.0070	0.2559	0.3736	0.5169	1.0973
2,4^-Dihydroxyacetophenone	13.5170	0.3504	0.5302	0.3657	0.7059	0.9211	1.8507	0.1024	0.8291	0.2720	0.0627	0.2643	10.5656	0.0582	0.4450	0.3610	0.0775	0.0385	0.0267	0.6443	0.4661	0.4150	0.3910	0.1683	0.3548	2.9740	5.8337	0.0140	0.0758	0.0845	0.1189	0.0942	0.0390	1.5494	0.0846	0.5301	0.1800	0.2655	2.0774	1.6933	0.7062	0.1613	0.0723	0.1529	1.0965	1.7838	0.0383	0.8302	5.3295	0.1205	0.4069	0.3917	0.1205	3.0010	0.0947	0.5518	0.0495	0.1506	0.1301	0.7818	0.5407	0.5289	0.0775	0.5218	0.1028	0.9901	0.5338	0.2026	0.1408	0.3961	0.0423	0.0626	0.0365	1.4689	0.0596	1.2196	0.0241	0.1674	0.0691	0.1122	2.5225	0.9692	0.0609	0.0705	0.1330	1.7056	1.4372	0.0334	0.0761	0.0333	1.0548	0.2752	2.7599	2.0636	2.3068	0.2695	0.8641	0.5914	1.2277	1.4936	0.0698	0.5045	1.5460	2.0109	14.0774	0.0900	0.0225	0.4688	2.2088	0.5429	0.0820	1.0971	1.8458	18.3922	0.6273	0.3910	0.7884	0.1559	0.0673	1.8509	1.4570	0.1145	0.4434	3.9060	0.7255	0.5913	0.5932	5.2252	0.0404	0.9423	1.1545	0.5492	0.1136	0.9731	0.1286	0.0852	0.1135	0.4750	5.7452	0.0925	1.1457	0.4078	0.1673	0.0070	0.0845	0.0649	0.4903	0.2208
2^,4^-Dihydroxydihydrochalcone	0.0075	0.0072	0.0084	0.0071	2.5448	0.0082	0.0054	0.0058	0.0063	0.0060	0.0063	0.0070	0.0060	0.0078	0.0067	0.0072	0.0063	0.0058	0.0057	0.1912	0.0076	0.0098	0.0090	0.0055	0.0072	0.0093	0.0082	0.0071	0.0067	0.0075	0.0055	0.0078	0.0066	0.0053	0.0114	0.0049	0.1060	0.0057	0.0070	0.0052	0.0057	0.0068	0.0995	0.0148	0.0061	0.0057	0.0070	0.0054	0.0066	0.0062	0.0051	0.0052	0.0063	0.0069	0.0195	0.0058	0.0066	0.0060	0.0111	0.0062	0.1812	11.8094	0.0087	0.0055	0.0058	0.0056	0.0051	0.0061	0.0052	0.0114	0.0058	0.0057	0.0085	0.0055	40.8145	81.1784	0.0058	0.0060	0.0062	1.1862	0.0070	0.0066	0.0097	0.1997	0.0095	0.0057	0.0079	0.0078	0.0092	0.0066	0.0067	0.0073	1.2315	0.0070	0.0083	0.0095	0.0300	0.0060	0.0103	0.0067	0.0065	0.0082	0.0065	0.0080	0.0057	5.8406	2.0954	0.0172	0.0077	0.0054	0.0069	0.0056	0.0059	0.0062	0.0055	0.0090	0.0075	0.0085	0.0062	0.0071	0.0099	0.0114	0.0095	0.0071	0.0060	5.1889	0.0071	0.4474	0.0112	0.0077	0.0123	0.0082	0.0153	0.0064	0.0062	0.0083	0.0080	0.0065	0.0077	0.0101	0.0057	0.0065	0.6890	0.0026	0.0078	4.6024	0.6846	1.4518
2,4-Dimethyl-2E,4E-heptadien-1-ol	1.0550	0.8158	1.3101	1.2175	0.9372	1.4990	0.4014	0.9492	0.6055	0.5735	0.5804	0.7302	1.0258	0.8131	1.2740	0.3141	0.8995	0.8983	0.3537	1.5534	0.9008	0.8250	1.4926	0.6688	0.4788	0.6597	1.5208	1.0607	0.9634	1.2323	0.7148	0.8336	0.6094	1.5976	1.0140	0.3760	0.6985	0.5667	1.0575	0.6508	0.7395	2.3833	0.5224	0.7130	0.7139	1.0150	0.5872	0.8200	0.6417	2.2378	0.7874	0.6766	0.7514	1.0627	1.8641	1.0488	0.8132	1.5241	0.3863	0.6249	0.7814	0.7448	0.4092	0.6285	0.4636	1.1496	0.7562	0.9330	0.4778	0.5999	0.8715	0.4950	0.6555	1.0287	0.8463	0.5131	0.7891	0.6601	0.9776	2.2888	0.4864	1.5899	1.0861	1.6887	1.3088	0.7107	0.7003	0.5384	0.5274	0.8280	0.5294	0.4392	0.8161	0.8479	0.9907	0.7392	0.7683	0.5169	0.6007	1.1024	0.7611	1.0653	0.9934	0.6766	0.7218	1.3736	1.4443	0.7462	0.7793	0.5566	1.7082	1.0831	0.4826	0.5685	0.8960	1.5496	1.1878	0.4771	3.0339	0.9470	3.0893	0.9250	0.8298	1.1292	0.5111	1.8485	1.0623	1.2883	1.3463	1.0820	0.7093	0.6897	0.9425	1.3977	0.5443	2.4284	0.9898	0.8975	0.9931	1.1899	1.0966	0.9468	1.4457	0.0146	1.1223	1.1013	1.7087	1.1824
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol	0.1471	8.1363	0.0941	0.0276	0.0407	0.3075	0.0836	0.2801	0.0241	0.0114	0.1151	0.0373	0.0850	0.0536	0.0186	0.2556	0.1086	0.2246	0.0929	0.3218	0.1124	0.0753	1.1744	0.0442	0.2940	0.0484	0.1288	0.5046	0.0381	0.2061	0.2412	3.6949	0.0159	0.6457	0.0789	0.2510	0.1042	0.3166	0.0739	0.1321	0.6038	0.2532	0.2309	0.4514	0.0997	0.0794	0.0135	0.1297	0.0850	0.0614	0.3965	1.1697	0.0442	0.0305	5.0444	10.8993	0.8525	0.0358	0.0374	0.5591	1.9739	0.4343	0.0864	0.0177	0.0765	0.0247	0.0763	0.2932	0.0555	1.4832	0.1025	0.2531	0.0719	0.0486	0.1308	4.3552	0.0334	0.0441	0.1473	0.2370	0.0239	0.1162	0.3120	0.2175	0.0388	0.3503	0.0119	0.0394	0.0293	0.3318	0.0997	0.7388	0.4560	2.8051	0.0299	0.0933	0.0364	0.2076	0.0206	0.0842	0.1190	0.0408	0.0310	0.0747	0.0945	0.1201	0.5181	0.0598	0.0229	4.1471	0.4964	0.0355	0.2500	0.1994	2.0653	0.1852	0.1612	7.8946	0.0609	0.0183	0.7984	0.3375	0.1213	2.8471	0.0257	0.0942	1.6277	0.0316	0.0332	8.3310	0.4032	1.2790	0.1985	0.0708	0.2370	1.3676	9.7389	3.9392	0.1368	12.2721	1.1442	0.9830	25.9163	0.0100	0.1588	6.5149	1.1848	0.6536
2,5-Dimethyl-3-hexyne-2,5-diol	0.8938	0.9501	1.0985	1.4057	1.0808	0.9342	1.3141	2.3201	0.9785	0.8883	0.8545	1.0360	0.9925	1.2178	2.5385	0.5655	0.7446	0.7014	1.3468	0.8713	0.5222	1.1967	0.7029	0.9917	1.3367	1.1868	1.0985	0.9965	1.1154	0.7973	1.4386	0.6962	1.5602	0.8621	1.0096	0.7814	1.1115	1.1669	1.2705	0.4410	0.4883	0.6039	0.4137	0.5550	1.4312	2.0287	0.5866	0.4126	0.9316	0.6869	0.8046	0.3921	1.0205	1.2199	1.1875	1.0965	1.6787	1.1685	0.4917	1.0151	1.4130	0.9257	0.5197	1.1474	0.4012	0.9241	0.8480	0.7044	0.9167	0.9210	1.0307	0.9881	0.7281	0.4792	1.0327	0.7071	0.7100	1.1521	0.9610	1.3843	1.7960	2.1368	1.2521	0.4266	1.1975	1.3914	1.5324	0.9169	0.4218	0.4200	1.0765	0.8666	1.6623	1.9519	1.6995	1.0958	1.5925	1.1641	1.9150	2.0219	1.5661	1.3724	0.9862	2.6120	1.1940	0.7969	1.0931	1.1358	1.0073	0.5381	0.8492	1.7955	0.7634	1.1005	0.9635	2.8647	1.4064	0.4325	0.7258	0.8642	0.6951	0.7372	0.8171	0.6287	0.6272	0.3778	1.9126	1.0751	0.8964	1.2152	1.1613	0.9627	1.6803	1.5994	0.5601	1.5848	0.6227	1.3141	1.6456	1.5236	1.0526	0.7595	0.7489	0.0090	0.6841	2.0815	0.8796	0.7655
2-Acetamidophenol	39.0144	0.4161	0.0055	0.0046	3.9546	2.0671	0.0044	0.0115	0.0050	0.0204	0.0049	0.0059	0.0061	0.0060	0.0056	0.0057	0.0053	0.0043	0.0173	0.0162	0.0059	0.0071	0.0075	0.0046	0.0071	0.0069	0.0079	0.0053	0.0102	0.0258	0.0836	0.0123	0.0053	0.0054	0.0117	0.0041	0.0049	0.0100	0.0055	0.0056	0.0045	2.0672	0.0047	0.0084	0.0047	0.0048	11.0907	5.8554	0.0051	0.0062	0.0061	0.0065	0.0154	0.0115	0.0060	0.0153	0.0064	0.0090	40.2381	0.6152	0.0040	0.0072	0.0072	0.0044	0.0208	0.0047	0.0042	0.0051	0.0125	0.0095	0.0047	0.0067	0.0065	0.0202	0.0070	3.5843	0.0047	0.0084	0.0136	0.0077	0.0059	9.1429	0.0044	0.0089	0.0090	0.0048	0.0079	0.0159	0.0079	0.0058	0.2773	0.0167	0.0065	0.0065	0.0081	0.0083	0.0086	0.0205	13.7912	0.0103	0.0238	0.8724	0.0071	0.0072	0.0063	1.2026	0.0093	0.0106	0.0051	0.0044	0.0056	0.0057	0.0213	0.0190	0.0409	0.0184	0.0175	0.0103	0.0059	0.0083	0.1213	0.0192	0.0115	0.0077	0.0046	7.0029	0.0164	0.0060	1.1472	0.0139	0.0062	0.0060	0.0162	0.9726	0.0059	0.0108	0.0102	0.0075	0.0062	0.0068	4.3260	0.0078	0.0060	0.0036	0.0068	0.2379	1.1482	1.8723
2^-amino-2^-deoxyguanosine	0.9002	1.2494	1.3047	0.7526	1.5664	1.1110	0.9941	0.8486	1.0963	0.6126	1.1132	1.3378	0.9656	1.4063	1.0808	1.0138	1.2277	0.6252	0.6376	0.6670	1.6558	1.5885	1.5022	0.8094	1.5012	2.6173	2.0126	1.5104	1.1998	1.1008	0.8768	0.6600	0.7203	0.5684	3.3916	0.5554	0.6800	0.9327	0.7083	0.6793	0.8079	0.9659	0.7505	1.4747	1.0298	0.6146	0.8025	0.4925	1.1596	0.7166	0.4973	0.7922	1.0953	1.0090	1.6331	0.7985	1.4322	0.6947	1.2592	1.1147	1.4266	1.7244	1.1376	0.7972	1.1530	0.8359	0.5532	0.9521	0.6385	0.9439	1.0014	0.9099	1.4108	0.6362	0.8327	0.7807	0.9809	1.0876	1.1077	1.2102	0.9366	0.6880	2.5970	1.3920	2.1143	0.9613	1.1175	1.9371	0.9214	1.2719	1.1695	1.2681	1.4407	0.8516	0.9805	1.7534	0.9819	0.9042	0.5282	1.0778	1.1175	1.8883	1.2172	0.4994	0.8274	1.0763	1.3011	1.1957	0.8135	0.7738	1.1480	0.5977	0.9510	1.2982	0.8518	0.9530	0.7604	2.1020	0.8606	1.1682	2.3492	2.0899	0.8295	1.4695	0.9616	0.6647	1.2738	1.3151	1.1995	1.2689	1.3849	1.2641	1.6285	0.7579	1.1378	1.5749	2.0646	1.0677	1.2056	1.4254	0.6200	1.1903	1.0488	0.0059	1.4621	1.6813	0.5082	0.7543
2-(beta-D-Glucosyl)-sn-glycerol	1.1966	0.6190	0.7153	0.4065	0.1159	1.3653	0.4477	0.2584	0.5251	1.2673	0.6807	1.3712	1.2242	1.4478	0.8340	0.9240	0.3595	1.5979	0.7533	1.7187	1.8028	1.2627	0.5857	0.7450	0.6531	0.0337	1.2154	1.3214	0.4744	2.2741	1.0831	0.7641	0.9154	0.5610	0.0325	0.0882	2.5036	1.5062	1.2252	0.7616	0.6481	0.8562	1.0295	0.9980	0.6883	0.2543	1.0576	0.6191	1.2852	0.9253	1.2768	0.5485	1.9279	0.5357	0.8365	1.0305	1.0445	0.6220	2.0730	0.7877	1.2112	0.6797	1.1517	1.4212	0.7656	0.7954	1.5062	1.0677	0.9926	1.0409	1.0164	1.4203	0.4719	0.6173	0.9774	0.7166	1.0980	0.8297	1.0515	0.8521	1.0476	0.5448	0.0482	1.7143	0.0519	0.2929	0.9859	0.0331	0.6711	0.1325	1.0061	0.3411	0.8284	1.0118	0.9907	0.9690	0.9326	0.7796	0.8056	1.2907	1.0121	1.2628	0.9855	0.7955	0.8872	1.2592	0.6093	0.6901	0.6273	0.6180	0.0680	0.8917	0.3794	0.8752	1.5852	1.2869	1.2688	1.3481	1.1600	0.6497	0.0603	3.6901	1.0017	1.1435	0.5512	0.7827	1.2633	0.9025	1.0394	0.7012	0.6226	0.6932	0.6079	1.0884	1.2223	0.9058	1.3759	0.6319	0.8157	1.5518	0.8697	0.9364	1.0779	0.0704	0.6881	0.7861	1.9386	1.3483
2-Carboxy-2_3-dihydro-5_6-dihydroxyindole	1.6486	1.0645	0.0300	0.0458	1.2000	0.6400	0.0256	0.0356	0.0238	0.0198	0.3437	1.2343	0.5295	0.1673	0.1351	0.0608	0.2766	0.3251	0.5239	0.0235	2.5836	0.3024	0.0859	0.7560	0.6551	0.0224	0.0174	0.0425	8.8626	4.1853	8.0984	0.0658	0.4798	2.4337	0.1354	0.3090	0.1068	0.2928	6.8591	3.1369	0.3963	1.5854	1.0807	0.5500	1.1828	1.8652	1.0179	0.5889	0.0762	0.2677	0.4345	0.9940	0.0255	0.2451	1.6085	1.1133	0.2492	0.2673	0.8795	2.8128	2.2530	0.6758	2.9074	0.0319	3.4321	0.0275	0.9365	0.2583	0.1874	0.2100	1.0976	0.1330	1.0233	0.5825	0.2207	0.3648	1.3103	0.5543	1.5377	1.5869	0.3088	0.1136	0.2261	0.1386	0.1347	0.6822	0.1823	1.9897	2.2986	3.2325	0.0462	0.1032	0.0402	0.0303	0.8003	0.1219	0.5398	0.6805	0.3703	0.5534	0.0784	0.0339	1.0586	0.4317	0.4763	0.5815	0.6982	1.3924	0.3477	7.2848	0.3817	0.5401	0.2201	0.4161	0.0858	8.5946	0.6525	1.7381	1.3126	0.2702	2.4125	0.8639	0.8212	0.5170	0.3790	2.5442	0.0333	1.2574	0.0295	7.8634	0.4057	0.5921	0.0383	8.2823	0.1311	0.8693	1.6256	0.7570	0.2317	0.2525	1.4954	0.2255	0.2849	0.0256	0.6447	0.2899	0.8555	1.1464
2-chloro-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione	3.5912	0.1015	0.1292	0.1057	0.0970	0.1168	0.0991	0.1268	0.1094	0.1025	0.0987	0.0957	1.5188	0.1025	0.1195	0.1226	0.1070	0.5196	0.0921	1.0547	0.1113	0.1139	0.1414	0.0963	0.0986	0.1085	0.4860	0.0904	0.0912	0.1137	0.1155	0.0916	0.0983	0.1077	0.1402	0.1351	0.1249	0.1099	8.0527	0.1022	0.5886	0.1129	0.1023	0.1107	0.0998	0.0899	0.1344	0.1286	0.1006	0.0972	0.1071	0.1080	0.0983	0.1073	0.1135	0.1126	0.1003	0.0965	0.1549	0.0913	0.1120	0.1118	0.1050	0.0966	0.0914	0.6164	0.1029	0.1012	0.0994	0.1065	0.0935	0.1026	0.1257	12.4288	0.1112	0.1495	0.0924	0.1050	0.1089	0.1085	0.0944	0.3185	0.1416	0.1577	0.1197	0.5926	3.8276	0.1085	0.1279	0.1078	0.1051	0.1062	0.1110	0.2876	0.1169	0.1365	0.1198	0.1122	84.3129	0.1125	0.1498	0.1319	0.1126	0.1819	0.1187	0.0948	0.1605	0.1142	0.1017	0.1072	0.1398	4.7595	0.0849	1.4211	0.5471	0.1299	0.1463	0.1517	0.1507	0.0992	2.2478	0.1445	1.7694	0.0985	0.0963	0.3011	0.1094	0.1066	0.1069	0.1333	0.0946	1.0414	0.1177	1.0222	0.1039	0.1264	0.1116	0.1035	0.1104	0.1096	0.0978	0.1328	0.7360	0.0942	0.1379	0.1213	1.4751	0.1215
2-coumarate	1.6126	0.9409	2.2635	0.4892	0.9894	0.9395	1.0221	0.4420	1.1458	0.5503	0.6768	0.6423	0.5025	0.5966	0.5151	1.7061	0.5743	0.3680	1.0538	0.7582	0.9690	1.5953	1.4235	0.8749	0.6862	0.7746	2.2142	1.1582	1.1739	1.5149	1.3732	0.7206	0.6851	0.5675	2.3980	0.6271	1.5679	0.8318	1.2628	0.9407	1.0242	0.6781	0.9350	1.1677	1.4071	0.9983	0.6438	0.7079	1.4239	1.0199	2.0023	1.1449	1.1424	0.5998	1.3317	0.8823	0.5728	0.4546	1.4177	1.0201	1.3132	0.5420	0.8431	0.6528	1.5500	1.1912	1.1608	0.9299	0.6605	0.8445	0.6704	0.6100	1.2494	0.3812	1.0766	1.4767	1.5573	0.7684	1.6699	1.9750	0.8999	0.3328	1.6125	2.4995	1.8706	0.3193	0.8583	2.5656	1.2427	1.9179	1.4231	1.0228	1.0454	0.7204	1.1179	0.9865	0.1837	1.0065	0.7785	1.4311	1.2513	1.2170	1.0055	1.4378	1.0710	1.5667	0.7554	1.5441	1.0506	1.2571	1.0875	0.6016	0.2776	1.4588	1.6632	1.4802	0.6634	1.0565	1.6731	1.5353	1.8627	1.5525	1.5052	2.2634	1.1889	1.2366	0.9098	0.6037	0.8162	1.1463	0.9825	1.5980	2.8742	1.4025	1.5263	2.1234	1.9674	1.6713	1.4230	2.0991	0.9357	1.8453	0.7204	0.0548	2.1628	1.5025	0.2475	1.1378
2-Dehydro-D-gluconate	1.1218	0.7795	0.9272	0.7669	0.8893	1.0206	0.6491	0.5973	0.7578	0.7056	1.1110	0.7229	0.9167	0.5664	0.9050	1.2877	0.6420	5.9806	1.2661	0.7896	0.7099	0.5774	0.7180	0.7912	0.6901	0.9377	1.0727	1.1476	1.0862	1.1737	1.2227	1.2411	0.7603	0.8649	2.0353	0.8468	1.0155	0.8192	1.8512	1.9007	5.1180	1.9252	0.7852	0.5496	0.9474	0.8297	0.9592	1.0943	0.8972	0.8145	1.1745	1.1704	0.4957	0.6897	1.8713	1.8630	0.7387	0.7260	1.3008	0.8762	0.6986	1.1241	0.8158	0.8064	0.9117	1.1854	1.0112	0.8829	0.7299	0.7396	0.7344	0.6114	1.2197	0.6401	1.0945	2.1190	0.9255	0.8534	0.6312	0.7378	0.7855	1.2724	0.8801	1.4422	0.6838	0.6968	0.5775	0.9465	0.6803	1.2330	0.6210	0.5463	0.8416	0.7625	0.8395	0.7970	0.7569	0.7013	0.8570	0.7146	0.7105	1.1970	0.7315	0.8935	1.1636	1.8067	1.1954	0.7136	0.7589	0.9226	0.9883	0.8057	0.6917	0.7425	1.0419	0.7342	3.3361	1.0203	0.9652	0.7128	1.3353	0.8303	0.9192	0.9774	1.0019	1.1979	0.9230	0.8124	0.5323	1.1159	0.5474	0.8542	0.5028	1.1620	0.6502	0.7636	0.7052	0.8822	1.2378	0.7606	1.0665	1.4559	1.0416	0.0085	0.6473	1.1485	1.2531	1.4147
(2E)-2-Methyl-3-phenyl-2-propen-1-yl hydrogen sulfate	2.0167	1.1305	0.0915	0.1508	0.1118	0.4647	0.2383	0.2532	0.9181	0.7013	0.9356	1.0322	0.4147	0.0670	0.2723	9.1927	0.1572	0.0982	0.0825	6.9760	0.5590	0.2065	0.0579	3.2823	0.9444	1.3433	0.6563	0.3760	0.0622	3.8880	0.2006	0.1462	0.0422	0.0860	0.1149	1.1703	5.1486	0.0648	3.7914	0.1007	1.8238	0.3869	0.0752	0.0874	0.8390	0.6195	0.0781	0.3211	0.3048	0.4762	0.4172	0.1600	1.6454	0.1967	2.0484	0.1260	0.1960	0.1133	0.2425	1.4392	0.2883	0.3060	0.1308	0.1081	0.0687	0.4011	0.1877	0.8757	0.3714	0.3042	11.4011	14.3699	0.2390	0.5526	0.0960	0.0903	0.2745	0.6537	0.3911	0.5876	0.1039	2.9247	0.2903	0.3366	0.3616	0.1040	0.1014	0.2397	0.3769	0.1435	0.1247	0.1132	0.7832	1.8937	0.1539	0.2695	1.5736	1.3963	0.4352	0.1790	0.7629	0.0455	0.0877	0.7875	1.8534	3.9884	0.1735	0.6846	0.1001	0.1606	0.0926	1.7753	0.7218	0.0941	0.3347	0.1695	0.3701	1.1365	1.2676	0.9315	2.4123	0.0840	0.3913	1.5695	0.6957	0.5804	0.1739	0.1643	0.4358	0.1222	0.1597	0.1787	3.9809	0.4623	1.3445	1.8859	0.4391	1.0104	0.1279	3.9328	0.2318	0.0745	0.0717	0.0529	0.0939	3.5311	1.5205	1.3251
2-Hydroxy-5-vinylphenyl hydrogen sulfate	0.2865	0.3495	0.0399	0.0562	0.0202	0.6631	0.0407	0.8760	0.0308	0.0688	0.1028	0.0404	0.1168	0.0147	0.0708	0.0440	0.1090	0.0835	0.1733	0.2972	0.2008	0.1204	0.2301	0.1551	0.0830	0.0215	0.0451	0.1518	15.5246	0.6972	2.3269	0.8449	0.0823	0.5361	0.0237	0.1337	0.0261	0.0530	1.8353	0.0507	0.0636	0.1626	0.0827	0.1233	0.0233	0.1435	0.6771	0.9178	0.0589	0.6979	0.1486	0.5104	0.0859	0.0853	0.1260	0.0864	0.0912	0.0704	0.0665	4.2750	0.1023	7.1434	0.1358	0.0260	0.3005	0.3804	0.3742	0.1082	0.0932	0.0191	0.1484	0.0321	0.2991	0.0510	0.0296	0.1731	0.1743	0.4273	0.2549	0.2941	0.2684	0.0857	0.0763	0.8277	0.0306	0.1840	0.0235	0.0937	0.1411	0.9485	0.0415	0.1352	0.0247	0.1462	0.1402	0.0236	0.0334	0.2776	0.0391	0.0621	0.0711	0.0805	0.0240	0.1470	0.0883	0.1246	2.8936	0.0375	0.0274	0.1995	2.7329	0.2567	0.1010	0.0418	0.1531	0.1636	0.1128	1.7270	0.1846	0.0441	90.9996	0.0400	0.1694	0.0894	0.1698	0.0336	0.0209	0.1545	0.1500	0.5672	0.0185	0.1636	0.0552	0.2005	0.0268	0.5165	0.0515	0.3298	0.0248	0.4238	0.1375	0.0188	0.0762	0.0145	0.2172	0.6635	0.9094	1.9253
2-Hydroxy-6-ketononatrienedioate	1.0957	1.6854	1.2480	0.7470	0.2115	0.9013	0.6173	0.2032	0.3346	3.1612	0.4168	0.1460	0.1240	0.4396	0.3001	0.2480	0.5931	0.3651	0.3280	0.4859	0.4193	0.9978	1.0831	0.2782	0.8613	0.3916	0.1849	0.1769	0.7276	0.1800	0.3498	0.2263	0.1325	0.1920	1.2214	0.3069	0.5512	0.4164	0.2501	0.3788	1.2137	1.0264	2.1217	4.7978	0.4183	0.1077	0.6121	0.4173	0.2943	0.2946	0.8113	1.0570	0.2366	0.2881	0.7256	0.9117	0.5075	0.1128	0.1408	0.2858	0.3980	0.5188	0.9492	0.2112	0.4589	0.5979	0.5979	0.9585	0.2397	0.2748	3.1574	2.5754	0.1913	0.4123	0.2592	5.3302	0.6230	0.1899	0.3397	0.7950	1.2061	1.4783	0.3847	0.5279	0.1945	0.0791	0.3626	0.8895	0.3209	0.3833	0.5505	1.0954	0.7652	0.6208	0.5454	3.0905	0.3046	0.2239	1.0849	0.4463	2.4730	0.6026	0.2142	0.6924	1.0118	4.8677	1.6265	0.7836	1.4483	2.0229	0.3500	3.2600	0.0556	0.2033	1.0495	5.3374	0.5729	0.3125	0.6309	0.4557	0.3103	0.8875	3.3942	5.3865	0.2388	0.9819	0.5163	1.0458	0.2931	2.9651	0.7309	5.8535	1.0735	2.8162	5.1924	0.8017	3.7131	3.8051	0.7552	1.2150	2.2190	2.7298	0.9574	0.0287	0.8560	9.9759	0.7557	0.4684
2-hydroxycaproicacid	0.6364	0.7144	0.8872	0.5529	1.6662	1.2187	0.6608	0.6265	0.8206	0.6418	1.0956	1.0997	1.1317	1.1481	4.1621	1.2363	0.5285	0.7941	0.6407	1.3858	1.5076	0.8754	0.7126	0.7543	1.2527	1.1768	1.1587	0.8201	1.1454	0.9537	0.6993	0.8009	0.7102	0.4033	3.3482	0.5544	0.7321	1.0157	1.0570	0.6511	0.7644	1.4629	0.6646	0.7443	1.0019	0.7547	2.8433	2.2168	1.2147	2.5688	0.7352	0.4216	1.0931	0.8665	1.5155	0.9475	1.1385	1.0836	1.3782	0.9172	0.8046	4.4511	0.9916	1.9303	0.8661	0.7863	0.5388	0.6125	0.8928	0.7322	0.9245	1.5015	1.5693	0.4444	0.7865	1.2242	1.0744	1.0236	0.9229	1.1596	0.7586	0.9295	2.3153	2.4499	1.7161	0.8714	1.0287	1.4369	0.7245	1.2018	1.0194	0.8379	1.0791	0.5978	0.9031	2.1131	0.8515	0.9768	0.5129	1.2885	1.1191	1.2976	1.4036	0.8556	0.9716	0.8454	0.5801	1.2514	1.2469	0.5950	0.6689	1.4525	0.7903	0.8232	0.7200	0.8673	1.0027	4.0316	0.9549	0.7867	2.6934	1.7636	0.9015	0.7951	0.6793	0.7089	0.9518	0.8734	0.8338	0.9934	0.7820	1.0457	0.9050	1.0502	1.2499	2.2379	1.5574	0.6259	1.3897	0.8758	0.4940	0.8700	0.5223	0.0103	1.0119	0.5545	0.6006	0.8971
2-Hydroxyethyl laurate	0.4652	0.9657	0.5166	0.8374	1.8541	0.6259	0.6077	1.7856	0.9233	1.0173	0.8720	1.3100	0.7558	2.7905	2.7216	0.5384	0.7424	0.6265	0.5020	0.3513	0.8156	0.7613	0.5153	0.7889	1.8441	1.4765	0.9453	1.5061	1.1700	0.3212	0.5735	0.8848	1.8704	1.1805	1.9653	1.3091	0.8745	1.7714	0.8225	0.3066	0.5208	1.3700	1.6402	1.7317	0.7001	0.4446	1.3122	0.3439	1.2183	0.3722	0.7091	0.6036	0.5964	1.9083	0.9935	1.2715	1.2784	1.2544	0.6991	0.9265	0.5097	0.7025	1.6483	1.4396	1.1085	1.4054	0.6667	0.6207	0.7060	1.9509	0.9286	0.7737	0.8638	0.7185	0.7444	0.7449	0.4897	0.7059	0.6039	1.2421	1.0832	1.4999	2.0478	0.5033	2.1084	1.9802	2.1953	1.2345	0.7124	0.8682	2.0684	0.4057	1.4050	1.8933	0.6186	1.0703	1.9596	1.0059	1.0214	1.1986	1.2854	1.1020	2.0051	0.4802	0.6811	0.9452	1.1533	1.3517	0.9203	0.5406	1.7185	0.5344	0.9490	0.4738	0.7498	1.4110	1.6379	1.5356	0.7474	1.2483	1.8847	0.9027	1.1986	0.9678	0.2011	0.9080	1.4218	3.2884	1.2947	1.2544	2.8070	1.4730	2.7534	0.6866	0.5998	1.5329	0.4374	1.2404	2.0203	0.8257	0.7280	0.5032	1.3309	0.0251	0.4636	1.9310	0.6201	0.5674
2-hydroxy hendecanoic acid	0.7593	0.9966	0.5857	0.9962	1.5095	1.0956	1.0368	1.4186	0.5787	0.2720	0.5874	0.7323	0.6815	0.9164	0.7301	0.6191	0.6582	0.2753	1.1022	1.1245	0.5313	0.2076	0.4295	0.8678	0.9670	1.0479	0.7261	0.7756	0.6252	0.6240	0.5270	0.8236	0.9219	1.1662	0.8733	0.7324	0.5919	1.5240	0.7212	0.2586	0.4743	1.5208	2.0427	2.3909	0.6930	0.5132	0.5085	0.5410	1.2518	0.4007	0.7719	0.6440	0.3714	0.8823	1.2052	1.5357	0.7719	0.9659	0.2382	0.7610	0.6239	0.6558	0.6814	0.5268	1.1208	1.2971	0.1043	0.3027	1.4107	1.4257	0.6942	0.7457	0.2530	0.8145	0.9269	0.1919	0.3457	0.3763	1.3430	1.3522	1.7748	1.5998	0.7887	1.9204	0.7987	0.8312	1.4329	0.7678	0.3910	0.9079	0.9683	0.2580	2.3455	1.9656	0.5737	0.9591	1.1773	0.8156	1.1316	2.0766	2.2011	1.0671	0.9080	0.8170	0.8466	0.3179	0.5397	0.5866	0.2631	0.4884	2.9555	1.2029	0.3280	0.4959	1.0913	1.9957	2.1722	0.3845	1.3455	1.3022	2.5165	0.8340	2.2238	0.9021	0.3507	0.6405	1.9317	2.9404	1.1631	3.4608	3.3063	2.2032	1.5564	3.0864	1.5248	2.6479	1.1998	1.4602	1.2840	2.7033	2.7113	0.8794	1.4111	0.0637	2.2139	2.5359	0.7905	0.8407
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol	1.1182	0.9047	1.0069	0.8569	0.7965	1.1443	1.4970	1.3251	1.2404	0.5647	1.0018	0.7579	0.8308	1.0274	1.2651	1.3925	1.1518	0.8385	0.8419	1.0884	1.0124	1.5706	1.5443	1.4447	0.8547	0.8216	0.5219	1.1337	0.7985	1.4199	1.4724	0.8646	0.8987	1.1276	1.3065	0.5998	1.2142	0.8301	0.7532	0.8199	0.8457	0.8035	0.4922	1.0759	1.2020	1.0287	0.9475	0.8451	1.6999	1.9568	0.7669	0.6983	0.8567	0.9462	1.8174	1.6008	1.2671	0.7083	0.8828	0.9302	1.1671	1.0462	0.7386	0.5494	0.6745	1.0183	1.3154	0.9133	0.9914	0.7956	1.1951	0.8371	1.1363	0.8634	0.9531	1.5968	1.1900	1.0259	1.1357	1.0682	0.8455	0.7945	0.7969	0.6007	0.8290	1.1696	1.4630	0.8940	1.2482	1.4013	1.1351	1.2639	1.0870	0.7661	0.8569	0.9540	0.9150	0.8334	1.6866	1.3045	1.1169	0.9131	0.7692	1.5604	1.1227	0.7729	0.8002	0.8608	0.6730	0.8394	1.3659	1.6097	0.7286	0.8724	1.2366	1.7303	0.7417	1.2692	1.3051	0.9252	0.8805	2.6092	1.1808	0.4251	1.1554	0.7544	1.3907	0.8848	1.2357	1.1026	1.0623	1.3768	3.1894	0.7518	1.4152	1.4956	1.5934	0.9951	0.5587	1.0773	0.7615	0.6794	0.4681	0.0076	1.5933	1.3081	0.9066	1.2755
2-hydroxy palmitic acid	0.6560	0.8015	1.2321	1.1151	0.3725	0.9573	0.7328	1.1504	0.9523	0.4398	1.1493	0.8589	0.8772	0.8641	1.2797	0.4737	1.0292	0.8027	0.9582	0.6708	0.4751	0.3903	0.5477	0.8384	1.1737	1.0012	0.5455	1.5441	1.0768	0.3741	0.5573	1.3438	2.0939	1.2852	0.3840	0.7236	0.9955	1.0846	1.2397	0.8134	0.7458	0.7449	0.9910	1.0780	0.8940	0.8641	0.7051	0.4412	1.2004	0.9634	0.4233	1.2513	0.7476	1.4819	1.2843	1.0802	1.0719	0.8336	0.4065	0.6703	0.9099	0.8671	0.7251	0.5702	0.9742	0.8761	0.9423	0.8841	0.5465	0.6287	0.2709	0.7093	0.6414	0.8050	0.8721	0.4761	0.7881	1.1884	0.5623	0.7379	0.8527	1.8172	1.4274	0.9250	0.9892	1.0790	1.3095	0.5132	0.7537	1.0032	0.8605	0.5762	1.5725	1.5200	0.9515	1.1532	0.6128	0.3737	2.3037	1.3485	1.7100	1.3800	0.9294	1.2355	0.7459	0.7051	0.9146	0.9576	0.8003	0.9892	1.5623	1.2953	0.4029	0.7233	0.6747	0.8755	1.4925	1.4041	0.3216	0.4879	0.5517	1.4210	0.7715	0.9107	0.1870	1.4243	1.1766	1.0948	0.9579	1.3592	1.3510	0.8545	0.5569	0.9452	0.2823	0.6997	1.0214	0.8408	1.0187	0.8207	0.5556	0.5945	1.3254	0.0097	0.9977	1.7796	1.9940	0.8028
2-Methylenebornane	0.5192	0.8813	0.9952	1.0212	1.2719	0.7136	0.9177	1.3829	1.3159	1.0894	1.1079	1.4226	1.2437	1.8583	1.9666	0.7207	0.9603	0.4244	0.8671	0.4882	0.8019	0.8636	0.8724	0.8656	1.2573	1.1737	0.9123	1.5405	0.9722	0.4187	0.6659	1.2938	1.5828	1.1079	1.6261	1.6552	1.2106	1.5040	0.9907	0.5892	0.3213	0.9637	0.7546	0.8628	1.2106	0.9715	1.3364	0.7031	1.1767	0.5633	0.7669	0.5996	0.9134	1.3329	0.7618	0.9121	1.5692	1.4737	0.2803	0.7659	0.7296	0.6238	0.9911	1.2159	0.7753	1.2625	0.9727	0.9148	1.2294	1.2740	1.3803	0.8536	0.6880	0.9208	0.9461	0.6871	0.7404	0.9894	1.0990	1.4978	1.2143	1.6979	1.9281	0.4883	1.6672	1.6820	1.4543	1.3737	0.6832	0.5899	1.1447	0.7821	1.1632	1.6089	1.0078	1.3869	1.8312	1.0370	1.3755	1.2812	1.6078	1.1643	1.7201	1.0330	0.8664	0.6848	1.0044	1.2275	1.0952	0.6947	1.2803	1.1032	0.9401	0.7095	0.7586	1.3866	1.7008	0.7359	1.5953	1.0944	0.8993	1.2451	0.8887	0.7562	0.3873	0.9268	1.6272	1.4288	1.8303	1.3317	2.2608	1.0190	2.0516	1.0252	1.0637	1.3914	0.7349	1.0691	1.6320	1.3807	0.9293	1.0015	1.0062	0.0051	0.9928	1.6837	0.7521	0.6755
2-Methylserine	1.0446	1.1123	1.1028	0.7303	0.7398	0.8626	1.0178	0.8538	1.0683	0.9944	0.8303	0.6625	0.7190	1.5777	1.6317	1.2067	1.0163	1.2934	1.0443	1.3111	1.1790	0.8281	0.7987	1.1862	0.8496	0.6856	0.8778	0.8435	0.6028	1.9108	1.2680	0.9482	0.6122	0.6143	0.7604	0.7724	1.2534	0.9905	1.5632	1.6133	1.1788	0.8651	0.9617	0.9382	0.7801	0.6448	1.4334	1.2878	1.1755	0.6812	1.4377	1.1164	1.0702	0.9159	0.9791	1.1555	0.9539	0.8351	1.2419	1.3310	1.0163	0.6814	1.0264	0.6866	0.4751	0.5898	0.6678	0.9878	1.3466	0.8913	1.1799	1.3951	0.8241	0.7879	0.9654	0.9928	1.6322	1.4630	1.3964	1.2546	1.0143	1.5786	0.9051	1.6553	0.9355	0.6563	1.8852	0.7026	0.9174	1.4759	0.8770	1.1110	0.9902	0.6861	1.2062	1.3959	1.6073	0.7223	1.8363	1.1261	1.1553	0.7199	0.8410	1.5247	1.0658	1.6599	1.2877	0.9807	0.9575	0.8488	1.1228	0.7183	0.5719	0.9415	1.0132	1.4059	1.3873	0.9132	1.8366	0.6028	0.5624	1.6770	0.9609	1.4012	0.7652	1.4562	1.0220	0.8871	1.0427	1.1626	2.1845	0.9100	1.3370	1.1315	1.4501	1.3482	1.5229	1.1055	1.0075	0.6840	1.0665	1.3793	1.3828	0.0009	1.0388	0.7032	0.8759	1.1036
2-Oxoglutaramate	0.6534	0.8744	0.5941	0.7198	0.1634	0.5880	0.6873	0.6645	0.5920	0.9214	0.8959	0.7316	1.0254	2.9281	1.4637	1.0616	0.6028	1.8905	1.2663	0.9756	0.6395	0.4642	0.8660	1.0346	0.2142	0.4861	0.9881	0.7198	0.7009	1.4452	1.0154	0.7333	1.8040	2.0965	1.2562	1.1440	1.3891	1.3407	1.2968	1.0588	1.3944	1.7214	0.9562	1.1197	0.6897	0.5083	0.9728	0.8898	2.4333	2.0038	0.7175	0.9239	0.6595	1.1628	1.4593	1.5739	0.4651	0.3812	1.4729	1.1092	0.8082	1.1613	0.9652	0.9561	0.9053	0.1605	0.7484	0.8873	0.9549	0.5551	0.7850	0.7391	0.8441	0.5584	2.5326	2.8985	1.3595	1.2305	0.8658	0.8378	0.8943	0.7530	0.6723	2.4044	0.5954	0.9296	0.7369	0.7096	0.4006	0.8102	0.9169	0.9438	0.1279	0.6674	0.5946	0.8913	1.1231	1.1488	0.6137	1.7607	1.8192	0.7780	0.9171	0.7849	0.7634	0.9080	0.9233	0.8773	1.0594	0.6165	0.6772	0.9083	0.2180	0.9156	0.6128	0.6620	1.1868	0.9592	1.2453	0.3289	0.4597	0.8920	2.0537	0.8666	1.4737	0.5735	1.2697	0.1627	0.9163	0.6906	0.6139	0.6213	0.6689	0.9316	1.6679	1.0099	0.1902	0.8594	1.4535	0.7646	0.8585	0.9797	0.7237	0.0722	0.6848	0.7168	1.6503	1.0443
2-Oxovalericacid	0.9700	0.9517	1.0743	0.7757	1.2289	1.4140	1.0162	0.9412	1.0916	0.8183	1.2091	1.2735	1.0212	1.3293	1.0323	1.0895	1.0125	0.6605	0.9401	1.0490	1.1777	1.2861	1.0690	0.9764	1.3567	1.8068	1.3635	1.3170	1.2710	1.1160	0.9017	0.9286	1.1529	0.8622	1.9907	0.7579	1.1122	1.0835	1.0246	0.7632	0.7658	1.0109	0.9888	1.0920	0.8820	0.6714	1.0682	0.9182	1.0681	0.7756	0.8482	0.9734	0.8744	1.0041	1.1546	0.8581	1.0477	0.8509	1.1088	0.9762	1.1627	0.9259	1.0518	0.8126	0.9534	0.9037	0.7929	0.9275	0.8705	0.9682	0.8747	0.8614	1.3967	0.9427	1.0919	1.0052	1.0309	0.9005	0.9957	1.0088	0.9398	0.9240	1.8639	0.9378	1.4881	0.8101	1.2573	1.1466	0.9748	1.3973	1.0723	1.0105	1.6436	0.9683	1.2246	1.3671	0.9657	0.8695	1.2825	1.3019	1.3161	1.4815	1.1510	1.0285	1.0135	1.0736	1.2384	1.3358	0.9795	0.9316	1.3107	0.9168	0.8398	0.9987	0.9148	1.1289	0.9518	1.4816	0.8445	1.0865	1.6108	2.0035	1.0544	1.0605	0.8101	0.8124	1.2343	1.4903	1.0268	1.3116	1.3914	1.0876	1.2402	0.9706	0.9435	1.4618	1.5890	1.0784	1.0620	1.1936	0.8181	1.2927	1.0306	0.0040	1.3538	1.3637	0.7844	0.9171
(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid	1.0333	0.8502	1.0579	0.6713	0.6652	1.4457	1.3686	1.2603	0.9032	0.7489	1.3486	0.9156	1.3200	0.6530	0.3314	1.1330	0.8532	1.0846	1.4344	0.7295	0.7899	0.9898	1.1226	1.1351	0.8622	0.8712	1.0885	1.0735	0.9227	1.3893	1.3227	1.3095	0.6902	0.8641	1.2997	0.6974	1.2038	0.8817	1.0523	1.4149	1.4003	1.1592	1.0513	0.9291	1.1673	0.8353	1.0522	1.0242	1.1588	0.7995	1.1591	1.3105	0.9588	1.1546	1.7702	1.8365	0.9571	0.8843	2.1869	1.0683	1.0286	1.0480	1.0112	0.8635	0.8956	0.8975	0.9192	1.2485	1.2987	0.8863	1.0890	0.9267	1.2634	0.9486	1.5804	1.2831	1.0657	0.8814	0.8486	0.8518	1.2924	1.4825	0.7277	1.3235	0.7843	0.9809	1.5425	1.2040	1.2875	1.2420	1.1137	1.0440	1.0958	0.9643	1.2077	1.1197	1.0510	0.9508	1.1799	1.0461	1.1526	1.1097	1.1027	1.4024	1.0955	1.4144	1.4597	0.9915	0.8308	1.0661	1.0401	0.8935	0.9095	1.1151	0.8825	0.8212	1.1675	1.2423	1.4038	0.9957	0.9251	1.6232	1.3928	0.8515	1.2405	1.0538	1.4911	0.5698	0.9228	1.1862	1.1092	1.6182	1.0884	0.8850	1.4383	0.9831	1.1792	0.7259	0.8324	0.8580	1.4121	0.9115	0.7878	0.0069	1.2997	0.8507	0.8176	1.0576
(2R,3S)-2,3-dimethylmalic acid	1.2113	0.7135	1.2280	0.5627	1.1935	1.0721	0.8460	0.8487	0.7054	0.5471	0.9266	1.1609	0.7326	1.0181	0.6443	1.2090	0.7669	0.9126	1.0446	1.1840	1.0924	1.0627	1.3457	1.1767	1.0177	2.7469	1.0033	0.7604	0.7073	1.1020	0.9952	0.7446	1.1396	0.8542	3.1359	1.0227	0.8831	0.9477	0.8396	0.6544	0.8286	0.5573	0.9619	1.0104	0.7028	0.8311	1.0928	1.1243	0.7564	0.9010	1.1058	0.8262	0.8749	0.7287	0.8902	0.7962	0.7461	0.7119	0.9543	0.7506	0.7613	0.5579	0.9687	0.6891	0.7536	1.0020	0.8530	0.8932	1.0429	0.9092	0.8530	0.8762	2.9796	0.6652	1.2358	1.0489	1.1976	0.8887	0.9526	0.7433	1.1661	1.0743	2.6343	0.8215	2.0894	0.7366	1.4254	2.5175	1.1435	1.6630	1.1301	0.9934	1.3901	1.3057	1.2677	0.9423	1.0262	1.1156	1.5697	1.2996	1.0381	1.1172	1.1246	1.1934	0.8584	1.5290	1.5489	1.0107	1.1595	0.9524	1.5571	0.5790	1.3239	0.7913	0.8395	1.3500	1.4530	1.1221	1.2231	1.2162	4.0043	1.1531	1.1049	1.0747	0.6161	1.5201	1.0121	1.2059	0.8932	1.0092	1.3363	0.8997	1.2384	1.2983	1.1864	1.2714	1.3842	1.3403	0.8903	1.2760	1.2279	1.3640	1.1938	0.3114	1.2048	1.5127	0.5797	0.9536
3,4-Dihydroxymandelic acid	0.9728	0.3462	0.4408	0.3899	0.7482	0.7044	0.3622	0.4843	0.4741	0.3531	0.7376	0.3415	0.4988	0.3498	0.4604	0.4181	0.3813	1.7724	0.3677	0.4849	0.3975	2.5643	1.4849	0.3285	0.3975	0.3700	0.4414	0.3083	0.3111	0.3885	0.5653	0.3699	0.3816	0.3803	0.4781	0.3566	0.4282	0.3880	0.4359	2.0157	0.3354	0.3851	0.3539	0.3776	0.3402	1.4268	0.4584	0.8620	0.3672	0.4392	1.5280	0.4108	0.9341	0.3832	0.3870	0.4031	0.3421	0.3293	0.5283	0.3115	0.3821	0.4147	0.3583	0.3297	0.3327	0.4650	0.4451	0.3451	0.4654	1.1557	0.3255	17.5286	0.4287	0.7754	0.3791	0.5378	0.3151	0.3581	15.5869	1.2503	0.4310	0.5881	0.5746	0.8888	0.5149	4.9839	0.5632	3.9831	12.3383	0.5616	0.3584	0.3623	1.9757	3.8919	0.5158	0.4957	0.4593	0.4064	0.6513	0.4864	2.4818	2.1645	2.6736	0.4910	1.4023	0.3592	0.3971	0.5176	0.3854	0.3948	0.5263	0.3650	0.6378	1.6873	1.4263	0.6023	0.4018	0.6171	0.5247	4.6849	0.4430	2.6598	0.4743	0.3359	0.3312	1.0270	0.4163	0.3696	0.4478	3.5744	0.4215	0.5009	0.5090	3.5025	1.1563	0.6739	0.5808	0.4324	0.3767	0.5606	0.9369	0.5949	0.8952	0.3212	0.5234	0.4941	0.7031	0.5211
3-(4-Methoxyphenyl)propyl hydrogen sulfate1	0.5069	0.2490	0.3630	0.4524	2.6022	0.4796	0.2237	0.0493	0.4317	2.4310	0.8263	0.5163	0.4731	0.3991	0.0491	1.1967	0.1767	0.7268	0.4130	1.9761	1.0680	0.1208	1.9290	0.8807	0.0405	0.2659	0.6107	0.2287	0.0112	3.7418	1.4224	0.3814	0.1940	0.1668	1.4914	0.4895	1.0386	1.1966	0.1100	1.3346	0.3707	0.7752	0.0056	0.2376	2.1002	3.5480	2.0376	1.9303	0.5691	0.2221	0.8188	0.5107	0.6643	0.3216	1.0952	3.3837	1.5687	0.5492	1.2385	1.4882	1.4506	1.2853	1.1369	2.5423	0.6900	0.0194	1.2678	1.4890	0.2575	2.5640	1.1184	1.3997	3.0960	0.3552	0.8489	1.5600	0.2045	0.1753	1.4053	0.8148	1.8404	0.8806	0.7476	0.2227	1.4489	0.7234	0.4117	0.1295	0.2041	0.7639	0.3944	0.6476	0.4489	1.7013	2.7552	0.3771	1.0224	1.9429	5.9961	1.5745	0.2294	0.4229	0.0286	0.5160	1.0036	0.6760	0.1603	2.4251	0.0259	3.8133	6.1634	0.7683	0.0894	4.8044	0.1151	0.1120	1.1918	0.1654	1.6339	0.2969	1.0701	1.6691	0.7032	2.5933	0.1087	0.1824	0.2177	0.6891	0.2758	0.1761	0.7917	1.0650	0.6262	0.6196	1.0790	0.9024	0.9897	0.0508	1.7439	1.9598	1.9689	1.4611	0.4334	0.0021	1.0170	0.0651	1.2232	0.9011
3-(4-Methoxyphenyl)propyl hydrogen sulfate2	0.2295	0.2876	0.2660	0.3412	2.1733	0.3923	0.1774	0.6498	0.4195	1.8005	0.4636	0.4086	0.3434	0.3672	0.3122	1.2333	0.2351	0.8495	0.3538	1.9130	0.3470	0.3076	1.9045	0.7117	0.2281	0.3318	0.4820	0.2936	0.3020	4.6555	1.2459	0.3129	0.3197	0.3240	1.3769	0.4800	1.2048	0.7870	0.2793	1.2496	0.4575	0.5339	0.2246	0.2511	2.6262	2.3781	1.6891	0.8362	1.1365	0.2078	0.3687	0.3835	0.1721	0.3328	0.5292	2.5565	1.4536	0.5039	0.5982	1.4961	1.5449	1.8524	1.4052	2.8964	0.3368	0.2564	1.3281	1.6262	0.2278	2.1539	1.2856	1.0158	2.5975	0.2669	0.3927	0.7183	0.2499	0.2817	1.1577	0.3371	1.8236	0.2793	0.3344	0.1302	1.0786	0.2964	0.3196	1.7077	0.5587	0.2278	0.2149	0.4886	0.7710	2.3682	2.3377	0.4384	2.3861	2.3557	2.7831	1.4165	0.2356	0.3889	0.6126	0.4760	1.0900	0.3174	0.3871	2.3003	0.3414	2.5908	4.0225	0.4849	0.2441	3.6556	1.5181	0.1923	1.1737	0.1921	1.2937	0.3669	1.8310	1.0306	0.4007	3.0271	0.3939	0.3410	0.2210	0.4586	0.1761	0.2425	0.4989	0.6325	0.4791	0.1735	1.1615	0.4315	0.2718	0.6695	1.6064	1.4481	1.2961	0.9909	0.4193	0.0302	0.3876	0.2398	1.9204	0.4751
3,5-dichloro-4-hydroxy-benzoic acid	1.4070	1.9403	1.8141	0.7786	0.4651	0.8385	1.2730	1.7169	0.4218	0.4437	0.1012	0.4677	1.0838	0.0793	0.0918	1.3126	0.0689	0.1170	0.1037	0.5222	0.2916	0.8566	0.1043	0.7209	0.8984	0.1912	2.3480	0.0710	0.0769	1.5407	1.0334	0.6416	0.3854	0.1655	1.2854	0.4955	0.4537	0.5230	0.1683	0.4032	0.1750	0.2069	0.3803	0.4791	0.1673	0.4790	0.7441	0.4479	0.2655	0.1250	0.0714	0.1068	0.3966	0.4762	0.1283	0.2155	0.1780	0.1652	0.1080	0.3627	0.4164	0.1998	1.0766	1.0242	0.2511	0.3832	0.3293	0.1545	0.9768	0.9010	1.0115	3.9168	0.1351	0.0709	0.4052	0.9366	0.1434	0.1291	0.4644	0.3800	6.5804	7.9902	2.1622	1.8870	3.9625	5.9802	5.1753	1.4281	0.5340	0.2582	0.0597	0.1210	0.2549	1.0395	0.1288	0.1049	10.3985	4.8386	0.7180	0.6505	0.4334	0.1368	0.0890	0.6277	3.2946	0.2469	0.1396	0.5542	0.5644	0.1569	0.1090	1.0189	0.0999	2.0253	0.7487	0.1495	0.4989	0.5389	0.4564	5.6966	0.8093	0.1538	0.1010	0.1233	0.1148	0.3496	0.5300	0.5644	1.1986	0.2315	1.5734	0.2327	0.5755	0.3604	1.5452	0.5705	0.6957	2.4014	0.7329	1.0049	2.2525	0.2137	1.0765	0.0406	2.6391	0.2207	1.7020	1.4036
3,5-dihydroxybenzoic acid	1.7117	0.4943	0.8394	0.2503	0.7754	0.8018	0.1730	0.2364	0.4391	0.5448	3.0047	0.4574	0.8546	0.3588	1.2409	1.1751	0.6541	1.4443	0.5198	3.5327	1.8838	0.3157	0.4547	3.9601	0.8671	0.2635	0.9002	0.2272	0.4275	2.1271	1.4957	0.4930	0.2722	0.6690	0.6524	0.1719	1.0895	1.0704	2.1051	1.5194	1.5598	1.5848	0.5391	1.6602	1.8613	1.6348	0.3628	0.2781	0.3676	0.9339	1.0971	0.9301	0.8720	0.5766	1.2067	1.4025	0.9899	0.2915	0.1185	0.5313	0.4436	0.6492	2.1801	0.5577	0.0652	0.4947	2.3611	0.3574	0.0989	0.2248	0.5236	0.6236	0.6693	1.4503	0.3998	1.0257	0.2971	0.4116	0.4672	1.5155	1.5223	0.5661	1.2868	3.1578	1.4373	0.7019	1.6992	1.9065	1.5009	0.8705	0.1889	0.2931	0.4721	0.7626	1.4823	0.7676	0.3007	0.2556	0.8775	1.1432	0.9697	0.3821	0.7143	0.2861	1.0373	0.6837	0.3620	1.1319	0.5009	1.8593	0.9037	0.6890	0.2910	0.5967	0.7374	3.3046	0.6444	2.5895	0.4561	1.3376	0.7470	0.5230	2.1460	0.7681	0.2674	0.3179	1.0577	2.9304	0.3585	2.3078	0.2886	1.2979	1.3545	2.6393	0.6140	1.7926	2.4973	1.4964	1.4448	1.5547	1.1509	1.6488	1.4610	0.0037	4.0286	0.8440	1.1731	1.1053
3_5-Dihydroxy-phenylglycine	0.3550	6.4554	0.4502	0.6659	0.2501	1.1697	0.7884	0.2992	0.4859	0.4373	0.9139	0.3320	0.2590	0.3966	0.2173	0.3937	5.1486	1.8606	3.0555	0.3611	0.4474	0.3606	0.4784	1.8011	1.0232	0.2337	0.3809	0.6842	0.6586	0.4062	3.0615	0.4578	0.2490	0.3219	1.2346	0.8971	0.3486	0.2611	1.4075	3.7928	0.8847	0.3802	0.5571	1.8906	1.0869	1.9486	0.2483	0.2812	0.3588	1.5213	0.4448	1.2601	0.4850	1.3197	2.6550	2.8875	0.4539	0.1732	0.1825	0.1888	0.8018	0.3928	0.3424	0.1908	0.7018	1.9630	0.5113	0.3566	0.8351	0.6923	0.3030	0.1714	0.4769	2.1126	0.2384	0.1697	0.4251	0.2544	0.2184	0.1344	0.3205	0.4369	0.5021	0.6258	0.7544	3.0488	0.3135	0.3687	2.8373	0.7152	0.3390	1.5266	0.5075	1.6883	0.3299	0.4022	0.1311	0.6009	0.3637	1.4182	0.2624	18.9348	0.3172	0.1934	0.9959	0.4706	2.9669	0.3171	0.2557	1.4643	4.1576	0.2016	0.5327	0.4231	0.3435	0.3741	0.3037	0.6841	2.0123	0.2918	0.3826	1.8379	0.6118	0.5800	1.8276	0.7558	0.4635	1.3519	0.3183	1.6996	0.2704	0.6493	0.2535	0.6628	0.4640	1.7808	0.4562	3.1989	0.6697	0.4790	0.4627	0.5663	0.5238	0.0046	0.5152	5.0333	1.1286	0.7560
3b,16a-Dihydroxyandrostenone sulfate	0.5764	1.2180	1.9782	2.7632	0.4202	0.2787	0.0600	0.2954	1.8349	2.0594	0.4221	0.5999	1.9067	3.3464	5.6290	0.0620	0.9942	0.1862	0.2179	2.9482	2.7239	0.9068	1.2099	1.2680	3.3564	1.0457	1.6642	0.2500	0.5059	1.2211	1.5504	0.4622	1.4170	1.2228	0.1725	0.4045	2.2940	3.8118	0.8074	0.4431	0.5875	0.8066	0.2038	0.2820	0.6613	2.1362	0.5319	0.6782	1.6397	2.2631	0.4073	0.2312	0.5253	1.6689	1.0478	0.9057	0.7556	0.3615	0.1824	0.2864	1.2436	1.9906	0.8367	1.6547	0.5881	1.4817	2.0867	2.5168	0.1502	0.2910	0.3143	0.3298	0.2177	2.1641	0.2772	0.1053	1.1352	2.2344	1.3819	3.9973	1.0430	1.1320	0.6739	0.4784	0.9242	2.2572	0.7831	0.3756	0.2007	0.6146	0.7652	0.6936	1.6253	1.5975	3.6562	3.2509	0.1592	0.5642	1.3823	0.5884	0.7162	1.7561	1.9134	0.3192	0.4814	0.5519	0.7872	1.5483	3.4511	0.2220	0.5442	1.3211	0.4076	3.0713	0.2410	1.3100	0.3066	0.3803	0.8822	0.7597	0.1989	1.2107	0.7153	0.5735	0.1351	0.1988	1.9002	3.4269	0.4633	0.5344	0.3797	1.3065	0.6966	1.4122	0.2151	0.5651	0.6179	0.5161	0.2110	0.7655	1.3016	0.4078	0.5444	0.0028	0.8427	0.5434	0.7428	0.9326
3-Chlorotyrosine	0.4353	1.5125	0.1320	0.2185	0.5485	0.2565	0.2563	0.6059	0.0636	0.0421	1.4668	0.5372	0.9192	0.1201	0.3754	0.1960	0.6880	1.8525	0.2569	0.1027	0.3019	0.7242	2.1726	0.6708	0.5625	0.0715	0.0807	0.5076	2.9922	1.3474	1.8994	0.4766	0.0632	0.4825	0.2513	0.5224	1.2642	1.6010	4.8861	3.9322	2.5605	3.1174	2.0923	3.1005	0.4229	0.1077	0.1616	0.7529	0.2774	0.0509	2.0152	3.6938	0.0377	0.1376	1.0128	0.5036	0.4124	0.8311	1.1278	0.8937	1.0298	0.9914	0.8432	0.0794	2.1196	0.1451	2.5274	1.0736	2.1354	0.4476	1.0865	0.5650	10.5685	1.0401	0.1779	0.3365	1.9859	0.6563	0.1173	0.2493	2.0498	1.5437	0.1659	1.3359	0.7742	0.2429	0.0452	0.7600	0.3366	1.0152	0.0997	0.6140	0.2668	0.0917	0.0445	0.0449	0.2801	0.2050	0.0393	0.9407	0.6847	0.0530	0.5040	0.6305	0.8520	0.0811	6.8601	0.0417	0.3879	2.0586	0.5821	0.0808	0.9418	0.0514	1.1030	3.2566	1.7959	0.7113	0.3976	0.5524	0.9454	1.9586	2.7041	1.0622	0.2071	4.9546	0.0405	0.2173	0.0362	0.3130	0.1846	0.9256	0.1150	5.1014	0.2850	0.7688	1.1213	2.4801	0.8852	0.6169	0.2695	0.0500	0.2272	0.0300	0.0931	1.4038	1.3884	0.8018
3-Dehydroquinate	1.4721	1.0373	1.3017	1.2127	0.9535	1.3231	0.9686	0.6234	1.0723	0.9876	2.0146	0.9873	0.7097	0.8122	0.2247	2.2894	0.9300	1.9366	1.7199	1.1171	1.2626	0.5295	0.6269	0.9384	0.4767	0.5463	1.3287	1.3558	1.6021	1.4566	1.4128	0.7467	1.2453	0.9147	1.8726	1.3222	1.2197	1.1585	1.8995	1.9226	4.5411	3.5092	1.0439	0.8533	1.6342	1.0006	0.7241	0.5401	1.2386	1.1429	0.7700	1.5487	0.8910	0.7906	2.8583	2.3931	1.2953	0.7671	0.7542	1.2007	1.3433	1.0469	1.4477	0.7327	1.5399	1.2810	1.1982	1.2539	1.5214	1.0155	1.5837	1.1190	2.7735	1.1020	1.4859	1.1058	1.0837	1.3750	0.4745	0.4969	0.6971	0.8689	0.6107	1.3438	0.5628	0.4634	0.8581	0.5824	0.4325	0.6905	0.8096	0.5162	0.2992	0.2945	1.1360	0.5094	0.8224	0.7347	1.3166	0.6764	0.5321	1.0743	0.8466	1.1717	1.0353	1.0854	0.8959	0.8417	0.7022	0.9232	1.1409	1.1030	0.9620	1.0767	1.6285	0.6148	1.5724	0.7406	1.2306	1.4041	0.2216	0.9441	0.8809	0.8574	2.2149	0.8613	1.2420	0.8548	0.6508	0.9645	0.6043	0.6222	0.6470	1.1834	0.5772	0.7532	0.4519	1.0252	0.7096	0.9009	0.9386	0.6490	1.2377	0.0069	0.5988	0.5802	0.7663	1.3214
3-deoxy-D-glycero-hexo-2,5-diulosonic acid	2.9877	0.3550	0.6736	0.4738	0.4176	0.1546	0.1344	0.4168	0.3171	0.1704	0.3214	0.1525	0.0756	0.0933	0.1298	0.3616	0.7000	1.6733	0.5894	0.4427	0.4698	0.0934	0.1908	0.1966	0.1899	0.4443	0.3132	0.2521	0.1359	0.1468	0.2798	0.0514	0.2495	0.6385	3.9433	0.4026	0.6703	0.6386	0.4239	0.4194	0.8518	0.8338	0.2315	0.1778	0.2335	0.4542	0.1548	0.2084	0.2579	0.1328	0.0805	0.5516	0.0973	0.1844	0.4537	0.6193	0.1316	0.2294	1.2221	0.3069	0.1727	0.1204	0.4200	0.2589	0.2720	0.6569	0.5939	0.6563	0.1855	0.3725	0.3954	0.1481	0.3604	0.2444	0.1842	0.0765	0.1454	0.4296	0.1118	0.1542	0.1212	0.9250	0.2073	0.7186	0.0747	0.3062	0.0742	0.0901	0.2890	0.1751	0.1110	0.3954	0.8038	0.6128	0.3086	0.2536	0.1439	0.1301	0.0699	0.5287	0.0945	0.7266	0.1783	0.1070	0.4840	0.2791	0.4682	0.4934	0.5159	0.4370	0.4659	0.2628	0.2773	0.4462	0.5775	0.1364	0.1196	0.3622	0.2856	0.4770	0.5616	0.2418	0.3127	0.1273	0.1191	0.0797	0.4176	0.7182	0.2129	0.7075	0.5277	0.3686	0.1027	0.6437	0.3409	0.0631	0.1277	0.5872	0.2103	0.4698	0.1869	0.1235	0.3504	0.0258	0.2710	0.4475	4.4107	15.1875
3-Indoleacetic Acid	0.6671	1.4002	0.0689	0.1092	0.8865	0.8714	0.9397	0.9606	0.6468	0.5976	1.6027	0.2584	1.6554	0.7413	0.7589	0.7898	0.7348	0.9895	0.6579	6.8265	0.1156	0.2635	1.0108	0.1781	1.2566	0.6887	0.8989	0.3316	0.1088	0.9207	0.6641	1.9784	0.3038	0.3562	1.0035	1.1608	0.4301	0.7292	0.9484	0.0651	0.5725	1.1708	0.0984	0.9780	0.7556	2.1330	0.3529	0.1131	0.8826	1.0898	1.5783	1.5540	0.8531	2.2297	0.9417	0.8862	1.0090	5.3032	0.2130	0.1988	0.7059	1.1745	0.3586	0.4115	0.0967	0.7569	0.1772	0.5196	0.5522	0.3746	0.6174	0.7249	0.4319	1.3297	0.1146	0.7510	0.8995	1.4536	0.4998	0.9442	1.2388	2.0398	0.6439	0.5659	4.5727	1.2736	0.6259	0.6687	1.1576	0.8013	0.6404	0.8161	0.9546	1.0831	0.7099	1.0405	0.5216	1.1459	1.2126	1.2454	0.9647	2.8523	0.7561	1.6650	1.8259	1.0907	1.1423	1.1020	1.2349	1.1028	1.0283	1.7040	0.6895	0.7653	1.2505	0.6003	0.5265	3.4964	0.9628	0.5198	0.6235	1.0201	1.2854	1.1443	0.1667	0.6960	0.6038	0.4859	0.1684	1.4038	1.3661	2.0066	0.4892	1.0237	1.8761	1.7750	1.3708	0.7691	5.7949	1.3450	0.8031	0.9495	0.8490	0.0264	0.8499	0.6972	1.2331	0.9917
3-Indolepropionicacid	0.4673	0.4616	0.2074	0.5476	0.5946	0.1802	0.2582	0.6108	0.0503	0.2814	0.7952	0.1771	0.3637	0.3489	0.6135	0.3782	0.4614	0.5581	0.5082	0.8810	0.4088	0.4927	0.8300	0.4042	0.3902	0.2873	1.0592	0.3267	0.1905	0.1584	0.1175	0.8095	0.1472	1.4002	0.5734	1.0838	0.8673	0.5117	0.5247	0.3590	0.1617	0.6003	0.6909	1.1314	0.5815	0.0445	0.4294	0.1399	0.6511	0.2759	0.4918	0.8546	2.8400	0.6447	0.2098	0.2277	1.7350	0.9218	0.3877	0.1264	0.8074	0.5283	1.1268	0.0416	0.4070	0.0805	5.5250	0.7633	1.0235	1.2167	2.1844	0.8333	0.3218	0.6851	0.3579	0.9911	0.8932	0.7316	1.5266	0.8109	2.3394	1.3866	0.6798	2.0881	0.6637	0.7012	0.8536	1.1616	1.0481	0.9035	0.6061	0.5273	1.2406	1.1105	0.6793	1.0202	0.5831	0.5604	1.2071	3.5192	3.1997	0.2384	0.5490	1.7694	4.1456	0.9216	1.0298	1.5669	0.3702	0.6476	1.4403	1.0016	0.8841	0.3916	0.8283	4.1718	0.6492	1.8182	0.6207	2.7462	0.2087	2.3626	1.7825	5.6744	0.1058	0.4194	0.7071	1.1849	0.7145	1.6835	1.2528	2.6766	1.0085	2.1280	2.9098	1.7356	1.9822	6.9937	3.2096	7.6297	0.8768	2.7583	0.7092	0.0071	1.3600	1.9537	0.7313	0.8680
3-Methylindole	0.9198	1.5502	0.9363	0.6754	0.0259	0.2975	1.6383	0.9997	0.9682	1.3138	1.8627	0.2102	1.2502	0.1515	1.1135	0.1616	1.0103	0.3340	0.4374	5.3290	0.7020	2.5601	1.8272	0.0624	1.1578	0.0580	0.4293	0.3261	1.1077	0.2113	0.8302	2.9547	0.1375	0.6194	0.1253	0.3783	0.4978	0.7712	0.6220	0.4382	0.4614	0.5124	0.6399	0.9553	0.8246	3.0928	0.4032	0.0355	0.6089	0.4919	1.8925	0.9914	0.9282	2.6694	0.4911	1.5652	0.7590	5.7412	0.0543	0.1367	0.8532	0.3130	0.0850	0.1354	0.5396	0.5888	1.5550	0.5154	0.0838	0.4956	1.1322	1.1765	0.4880	2.5849	0.7772	1.2162	1.6398	1.9388	1.1099	1.4942	1.8572	2.4765	0.5362	0.9997	3.8898	0.5500	0.4060	0.6606	0.4569	1.1397	0.8605	1.1517	1.4346	1.2938	0.8031	1.1194	0.6175	1.1081	1.8070	1.1441	1.1347	2.5888	0.7838	1.9986	2.0610	1.5646	1.7536	1.3084	1.5186	1.2816	1.2239	0.7062	0.6744	0.4347	1.1912	0.4643	0.8494	3.5968	0.7855	0.7877	0.0915	0.1750	1.3640	1.4341	1.1646	0.7174	0.1099	0.1110	0.0725	1.7805	0.3416	0.7679	0.1676	0.8399	1.6322	0.5725	1.9250	0.3569	6.8335	1.5125	1.3659	1.3037	1.3422	0.0149	1.3222	0.2277	0.8790	0.3928
3-Oxododecanoicacid	1.0718	0.5243	0.4262	0.8888	1.2351	1.0365	0.9472	1.8173	0.9658	0.8836	0.5602	1.7820	1.4021	2.5591	2.3669	1.0122	1.0495	1.3670	0.7775	0.9139	0.7505	0.7799	0.7859	1.0171	1.3810	0.7416	1.1371	1.8398	1.4672	0.1896	0.7101	0.2257	1.6555	0.7941	0.9838	1.2817	1.1332	0.8358	1.1721	0.6763	0.3692	0.8604	1.2964	0.5088	0.6208	0.5409	0.8865	0.3038	0.8724	0.2864	1.3019	0.7281	0.6409	0.7778	1.3574	1.4104	1.7232	1.6804	0.2485	0.9490	0.4797	0.9731	1.2052	1.1636	0.7749	0.9606	0.3380	0.3531	0.1734	1.3576	1.3566	0.4280	0.9002	1.1368	1.0177	0.5234	0.8892	1.0138	0.5325	0.7351	1.0247	1.2211	1.6055	0.7542	0.6948	1.9633	2.6950	1.2197	0.2748	0.7938	1.4490	0.5943	1.5136	1.8322	0.9012	0.9481	2.1492	0.6674	0.8858	1.4472	1.6109	1.6459	1.6977	1.0055	0.7908	0.9543	1.4483	1.2559	0.9930	0.3078	1.5022	0.9994	1.0534	0.5262	0.4581	0.8797	1.9996	0.5758	1.3490	0.7313	1.6700	0.4898	0.5325	0.6642	0.1924	0.9078	2.0658	2.9645	1.5762	0.8900	3.0724	1.2084	2.1617	2.0231	0.6187	0.7362	0.5556	1.6097	2.1555	0.7001	0.8592	0.8464	0.8823	0.0101	0.4599	1.9215	0.9163	0.9178
3-Ureidoisobutyrate	1.1518	1.0870	1.0120	1.4603	1.0398	1.0207	1.1298	1.1576	1.0625	1.0277	1.2683	1.1186	1.2957	0.9830	1.0908	1.0296	1.2596	1.6940	1.3135	1.0878	1.2148	0.9159	1.0954	1.2556	1.0247	0.8751	0.9590	1.3425	1.1730	1.5148	1.5581	1.0483	1.0774	1.0716	0.9651	1.3935	1.0357	1.4340	1.0535	1.5092	1.3354	1.3896	1.4624	1.5654	1.1513	1.1960	1.0832	1.1491	1.0460	1.0349	1.0842	1.0873	1.1225	1.2062	1.2038	1.3157	1.1852	1.3530	1.1917	1.3769	1.3634	1.2677	1.4803	1.4408	1.2227	1.1012	1.0508	1.5496	1.5256	1.0965	1.3033	1.2716	1.1070	1.5564	1.3814	1.0904	1.3514	1.8821	1.1777	1.1303	0.9956	1.2127	0.9650	1.1306	0.9213	1.0109	1.1205	0.9182	1.0522	1.0313	1.0049	1.0335	1.0552	0.9446	0.9964	1.2439	1.0456	1.0226	1.0487	0.9614	1.0614	0.9899	0.9927	1.0616	1.1395	1.0300	1.0501	0.9266	1.0603	1.0863	1.0466	0.9690	1.1765	1.1992	1.1418	1.0804	1.0472	1.1737	1.2875	0.9524	1.0247	1.0890	1.0499	1.0270	1.4328	1.1591	1.1846	0.9904	1.0524	1.1983	1.1397	1.0314	1.0800	1.0614	1.0868	1.0094	1.1159	1.0606	0.9428	1.0149	1.0731	0.9528	1.0571	0.0009	1.0862	1.0943	0.3483	1.0584
4-(2-Hydroxyethyl)phenyl hydrogen sulfate	2.5482	1.4923	0.1024	0.2102	0.2033	0.7467	0.1698	1.5493	0.0409	0.0207	0.6804	0.3939	0.1917	0.0282	0.4380	1.2605	0.8592	0.5809	0.3643	1.3924	0.1918	0.1979	1.7710	0.0633	0.3621	0.0283	0.2452	0.2081	4.3020	0.5808	2.9000	2.5448	0.0611	3.1243	0.0486	0.2260	0.2688	1.5398	2.0071	0.0707	1.8459	1.9203	0.9497	1.8529	0.3305	1.3745	1.7849	2.6940	0.1351	0.0467	0.3743	1.5005	0.0732	0.3351	0.8101	0.5173	0.4105	0.9934	0.1398	2.5510	2.2979	4.6288	0.7452	0.0320	0.4403	0.0885	1.0217	1.9496	0.2268	0.3565	0.5082	0.8594	0.4550	0.1766	0.5789	1.3351	1.4598	1.3029	0.3828	0.9499	1.1152	1.5322	0.3049	0.5504	0.0979	0.1469	0.0605	0.1283	0.8448	1.0869	0.1808	0.2557	0.3553	0.8135	0.3739	0.1419	0.2365	1.1804	0.0843	0.5272	0.9867	0.0222	1.4223	0.0323	1.1235	0.1693	3.1929	0.1176	0.1414	1.4429	2.4050	0.4628	0.3178	0.0832	1.1751	0.8823	1.4894	1.6997	1.4967	0.2338	4.5858	0.5116	1.3024	0.7440	0.1308	0.2938	0.0447	0.1785	0.0403	2.5312	0.1380	1.6449	0.5138	0.3110	0.1879	0.8213	0.7380	1.4530	0.6623	0.9882	0.5771	0.0648	1.6878	0.0285	0.1293	3.2105	2.1623	2.8170
4,5-Dihydroxy-1-naphthalenesulfonic acid	2.4593	2.0914	0.3625	0.2165	0.1719	0.8260	0.9469	0.8093	0.3225	0.1501	0.1665	0.1741	0.2086	0.1683	0.1614	2.4481	0.1531	0.2997	0.4455	2.4839	0.9329	0.7268	0.8197	0.5583	0.1730	0.1728	0.2635	0.4934	0.1772	1.5912	1.6964	0.1913	0.8099	0.3960	0.2217	0.1888	0.1817	0.1996	0.4431	0.2547	0.2292	1.3591	0.4002	0.3018	0.6722	0.4924	0.1728	0.2161	0.1959	0.2039	0.1620	0.1616	0.1582	0.1568	1.8206	0.1305	0.1423	0.1719	1.0703	3.4806	0.2368	0.2258	0.3372	0.2219	0.4451	0.2849	0.8103	0.5820	0.2008	0.1623	0.6039	0.4880	0.2924	0.2635	0.3496	0.2565	2.9694	10.5951	0.3615	0.2534	0.5328	1.0499	0.3006	0.1939	0.2090	0.1638	0.3494	0.3995	0.2728	0.2791	0.1087	0.2030	0.2564	0.1823	0.3361	0.2356	0.2041	0.7876	0.2526	2.0655	9.2249	0.1752	0.2038	0.9961	0.9795	0.4293	0.5956	1.3201	1.0456	0.3263	0.1899	0.1918	0.1806	0.1742	0.2488	0.6278	0.1896	1.0480	0.3231	0.4430	2.3584	0.2296	0.3629	0.2265	0.6597	0.8616	0.5299	0.2429	0.9684	0.4485	0.2206	0.3845	1.9567	0.2055	1.1231	1.2055	0.2140	1.2650	0.2280	1.0349	0.8714	0.2374	0.1801	0.2184	11.1740	0.4992	2.7785	3.1758
4-amino-butanoic acid	1.1660	1.2838	0.8019	0.5949	1.0601	1.3886	0.7893	0.7153	1.0334	0.5149	0.9642	0.8870	0.9268	0.9504	1.1896	1.1473	0.7767	2.2437	1.1737	1.2432	0.6914	0.8063	0.5826	0.8631	0.5832	1.5532	0.9680	1.3978	1.0171	1.4361	1.0365	0.8186	0.6908	0.7894	1.5673	0.7820	1.0153	0.7828	1.2450	0.7131	1.4063	1.1798	0.7376	0.7138	0.9786	0.5530	0.7537	0.6982	1.0291	0.6560	1.0129	0.7540	0.9034	0.8489	1.7610	1.1563	0.9770	0.5315	1.7970	0.8382	1.1940	1.0449	0.8794	0.6943	0.9012	0.7194	0.8391	0.7493	0.7563	0.6932	0.7695	0.6591	1.5124	0.9302	1.1406	1.0007	1.4395	0.7602	0.8708	0.6093	0.7301	2.0944	1.0949	1.1832	0.9151	0.8807	0.9438	1.0509	0.5506	1.4871	1.1284	0.9083	1.2171	0.8020	0.7540	1.3223	0.7284	0.6002	0.8083	0.7452	0.5678	1.6659	0.8425	1.2408	0.9224	1.0072	0.8651	0.8718	0.7495	0.7941	0.9257	1.0182	1.1329	0.8208	1.1579	0.9992	0.8293	1.2778	0.8699	0.6906	1.0848	1.2821	0.8500	0.4702	0.9032	0.9068	1.4367	0.8210	0.6924	1.4760	0.8403	0.6511	0.5957	0.6224	0.5062	0.9405	0.7902	0.9521	0.7834	0.6074	0.6567	0.5005	0.5563	0.0577	0.5986	0.4771	1.7980	1.2432
4-Coumarylalcohol1	0.2176	0.2206	0.3865	2.2898	0.1359	0.4193	0.6807	0.8224	0.2493	0.1100	0.1851	0.7526	1.8512	0.1615	0.7176	0.0868	0.1197	0.5141	0.6425	0.1287	0.3145	0.8749	11.7239	0.1101	0.2243	0.3083	0.1094	0.5718	0.2237	0.0852	0.2265	0.5706	0.4042	0.1253	0.1091	0.7762	0.2149	2.6919	0.1156	0.1406	0.6184	1.3223	3.6628	9.0662	0.9782	0.1832	0.1809	0.1246	0.1131	0.1880	1.6588	3.0144	0.8566	0.3877	0.1311	0.1962	1.5970	3.5870	0.1324	0.1001	2.8355	0.3895	0.2581	0.2154	0.7497	0.2436	2.1390	0.1057	0.1709	0.7963	2.1517	1.5245	0.1849	0.4730	0.2665	0.7712	0.9758	1.7000	0.1004	0.1540	0.2545	1.1816	0.1587	1.5839	0.2199	0.2761	0.1687	0.3023	1.5875	0.2477	0.1557	1.7145	0.4793	0.9925	0.1960	0.5631	0.1128	0.1376	0.1794	2.0254	4.3976	0.1831	0.1119	4.7541	6.7085	0.8522	1.2791	0.1768	1.1962	1.3937	1.0610	0.4763	0.2073	0.4375	0.9421	0.1199	1.1693	2.3244	0.1208	0.3592	0.3679	3.0283	4.3085	3.8360	0.0876	0.1278	0.1317	0.1635	0.3477	0.3205	1.2494	1.5863	0.7699	0.3077	0.9648	1.9820	0.1743	7.1984	3.0594	0.8183	0.2359	1.1972	0.8580	0.1048	0.1312	10.0356	0.6430	1.4964
4-Coumarylalcohol2	0.2949	0.4152	0.3025	0.7985	0.3413	0.4306	0.9675	1.6760	0.5138	0.4035	0.5270	0.4937	1.0463	0.3458	0.7600	0.2571	0.4369	0.2116	0.5554	0.2892	0.2394	1.5277	5.9030	0.1847	0.2390	0.3053	0.2461	0.3875	0.2592	0.2156	0.3441	0.7206	0.3277	0.3082	0.2515	0.5108	0.7621	0.9624	0.1851	0.1117	0.5278	0.5469	1.4517	3.5754	0.6606	0.3948	0.2849	0.2189	0.1911	0.2927	1.0301	1.5018	0.4246	0.5536	0.6711	0.1891	0.9262	1.5885	0.3358	0.2736	1.3563	0.8501	0.2781	0.2920	0.5976	0.2238	2.2541	1.5419	0.2594	0.5473	1.2437	0.9294	0.2288	1.6785	0.4309	0.5516	1.3142	0.8752	0.3219	0.5268	2.0000	1.8279	0.6877	1.1231	1.4528	0.4317	0.4848	0.3404	1.2870	1.4250	0.5650	1.4111	0.9300	1.1003	0.4702	0.5268	0.2944	0.3724	1.0206	3.2996	2.5879	0.4377	0.4846	5.2620	3.2319	0.8122	1.8948	0.4473	0.9534	1.5402	1.5258	0.7096	0.7937	0.3747	0.9540	0.8008	0.9099	2.2413	0.3960	2.2504	0.5618	1.7195	5.6261	2.3107	0.1262	0.4291	0.2499	0.3407	0.4729	0.3909	1.5731	1.5022	1.0764	0.7272	1.0850	1.6665	1.8493	4.1772	2.4552	2.5455	0.3280	1.5748	0.6506	0.0154	1.1256	5.8346	1.0440	1.1866
4-Ethyl-2-methoxyphenyl hydrogen sulfate	0.4512	1.6719	0.1732	0.8633	0.1397	0.9283	1.0870	0.9476	0.2394	0.0825	0.2840	0.2398	0.1352	1.0489	0.2426	1.8121	1.0552	0.1859	0.1561	1.5817	0.1614	0.6694	1.5811	0.0887	0.0980	0.1250	0.3452	0.3846	0.2586	0.9187	0.3957	0.2385	0.0799	0.9055	0.1635	0.1207	1.0825	0.1051	0.8132	0.1343	3.5495	1.0757	8.2298	6.2817	0.1606	0.6057	0.2008	0.1763	0.1692	0.0934	1.2125	0.8854	0.6123	0.1234	0.5868	0.4020	0.1111	0.2145	0.4591	3.0214	0.5442	0.3134	0.5935	0.1019	0.1194	0.1437	1.9786	1.2122	0.1047	0.4531	1.0261	0.6872	0.4753	1.7462	0.4848	0.2298	1.7552	0.7572	0.1148	0.3653	0.1449	3.3198	0.0847	0.6172	0.2115	0.1968	0.0772	0.3242	0.2340	0.7816	0.0873	0.2142	0.2059	0.9884	0.1540	0.1629	0.1303	0.6969	2.5575	0.5232	0.2347	0.0931	0.1659	0.1471	0.6112	0.1439	0.2249	0.2839	0.1894	1.1876	0.2024	0.2078	0.1666	0.1781	0.2651	0.1460	0.6960	2.4518	1.7071	0.0962	2.8012	2.8998	0.4645	0.2119	0.1649	1.7752	0.1056	0.0961	0.0857	1.6295	0.4689	3.1751	0.9551	0.1176	1.5129	0.6953	9.5588	10.9123	0.1680	2.2184	0.5859	0.1410	0.1240	0.1001	0.5602	0.2086	2.1834	2.6312
4-Formyl-2-methoxyphenyl hydrogen sulfate	0.3556	0.1966	0.0512	17.2495	0.1137	0.3613	1.7647	0.0285	1.1057	0.0268	0.1901	2.6586	10.1166	0.0123	0.0228	2.1337	0.0122	0.2101	0.0155	0.2480	0.0301	0.0195	0.0464	0.0804	0.2732	0.5765	6.1323	0.0506	0.0182	0.0990	1.7896	0.0442	0.0527	1.3741	0.0996	0.2637	0.1063	0.0380	1.3003	0.5763	0.6640	1.2280	0.0260	0.0296	0.8328	0.1699	0.8421	0.9666	0.1040	0.0385	0.0344	0.0227	0.0447	4.3754	0.0347	0.0216	0.0213	0.0232	2.8571	0.7490	0.0199	3.4585	0.1909	0.0756	0.0693	0.3252	0.1655	0.2701	0.6209	0.2613	0.0340	0.0407	0.0350	1.3879	0.0189	0.3698	0.0403	0.0253	0.0610	1.1243	2.1162	1.9331	0.2439	0.6932	0.6230	0.0967	0.5494	0.0613	0.1563	0.0606	0.0567	0.6233	0.0654	1.1481	0.1604	0.0777	0.1565	0.4819	0.4031	0.5041	0.3106	0.2769	15.0244	1.1038	3.7762	0.1724	0.0222	2.1017	4.2819	1.1792	0.1180	0.4100	1.5734	7.2384	1.1374	0.0626	1.4444	0.0541	0.0883	0.9204	0.2738	0.5735	0.1447	1.5032	0.0402	14.6410	0.2752	0.9215	2.8534	1.7761	2.9915	0.6199	0.5628	0.4789	6.2334	1.4319	1.0564	1.0044	4.2625	1.0159	0.9310	0.2514	2.7919	0.0070	0.0836	0.1291	0.2578	0.4515
4-Methylene-L-glutamine	0.9781	1.3208	0.9166	1.0739	0.4812	0.5301	1.3341	1.3391	0.4830	0.9262	1.4970	0.3259	1.8349	0.4191	1.1073	1.0061	1.1790	3.1546	1.1230	1.0351	1.2531	0.6821	0.7939	1.3230	0.9106	0.6524	0.9234	1.4619	0.7035	0.7317	0.4166	1.3372	1.4701	1.2893	0.3789	0.4035	1.5586	0.9438	0.8114	2.1375	1.5690	0.4025	1.7956	1.8737	1.1211	0.3654	1.0811	0.7951	1.2181	0.7558	1.3566	0.8121	1.3298	1.3394	0.4483	0.4217	0.5744	0.3986	2.0584	0.5787	1.4296	1.7448	0.4455	0.3918	1.1060	1.1504	0.6934	1.4619	0.4242	1.6424	1.4221	1.3426	0.3785	1.2411	0.8552	1.5638	1.0680	1.4704	0.9581	0.9868	1.5011	1.6511	0.7748	4.7265	0.4561	0.6274	1.2568	0.4721	1.1602	1.8599	1.1428	0.5675	1.2646	1.3477	0.9467	1.6929	2.2172	0.3670	1.3254	1.2828	1.3463	1.5995	0.3874	1.9128	0.7072	0.8304	2.6903	1.2629	0.4289	1.3005	3.5333	1.1900	1.3411	0.7471	1.5185	1.1326	2.4991	1.7304	1.7842	1.0982	0.5765	1.1672	1.1171	0.8161	0.4559	1.3166	1.0311	1.1219	1.1288	1.6255	1.2170	1.2095	0.9695	0.4036	1.2350	1.2930	0.7910	1.1446	0.9091	1.2066	1.4448	0.3507	1.4421	0.1916	1.3702	1.6687	0.3055	0.5954
4-phenolsulfonic acid	0.2644	1.3188	1.5129	1.5231	0.4743	0.7489	0.4941	0.5923	0.3660	1.1900	1.0736	2.6480	2.2595	0.6493	1.5531	0.6835	2.4953	0.1423	0.2115	0.3739	0.9745	0.7443	1.7511	0.3108	0.4535	0.9044	0.4215	0.1736	0.9477	0.2290	3.1014	0.9039	1.5140	1.7754	0.5254	0.4552	4.5086	0.5236	0.8252	1.1994	3.5240	0.4485	0.2454	0.3312	0.2671	0.5569	2.2227	3.2169	0.5645	1.4707	0.8429	1.4458	0.7286	4.1141	8.2220	7.5389	0.2299	1.2449	1.7646	3.6337	0.5331	0.7210	0.2265	2.2835	0.1971	9.9087	0.2070	0.1822	1.0100	0.6388	0.2937	0.6194	2.3767	0.8912	0.2770	0.6172	0.2025	0.6894	0.3411	1.7203	0.1185	0.8653	0.3920	1.6419	2.1577	1.2591	0.5947	0.7785	0.8242	0.7674	0.9077	3.8697	0.6546	0.5781	0.2360	0.2612	0.0637	0.5589	0.2222	0.3662	0.2581	0.8888	0.3729	0.8215	0.6701	0.1211	1.2717	0.3081	0.4790	1.5041	1.5243	1.3993	3.0409	1.1618	0.2873	1.1971	0.1046	1.0572	5.4343	0.9290	0.1400	0.4718	0.6529	0.3778	0.8767	0.2153	1.1548	0.3814	0.9663	0.3679	0.1448	0.1628	0.5867	0.4434	0.4425	0.6439	0.4411	0.9842	0.1684	0.2398	0.4410	1.4490	0.3277	0.0006	0.8447	0.2632	0.6038	0.7008
4-vinylguaiacol sulfate	0.8422	0.1711	0.2184	0.3097	0.1533	0.4176	0.7941	0.3367	0.5437	0.2957	1.3881	0.7996	0.7867	1.6537	0.2520	4.1329	0.3174	0.0865	0.3442	1.9370	0.3581	0.4601	0.3969	2.4424	3.9775	0.0944	0.5458	0.1191	0.6557	4.1683	0.8737	0.4079	0.7765	2.1573	0.1623	0.7552	0.4816	0.1655	1.9689	1.6956	1.0388	0.3802	0.9991	0.7612	0.1610	0.3251	0.3818	0.0598	0.1158	0.3976	3.7359	0.3300	0.3801	0.1212	0.3999	1.1334	0.0712	0.8326	0.2902	2.7377	0.3116	0.3313	0.6106	0.0524	0.3041	0.1468	1.2104	0.2297	1.0155	0.4219	0.3955	0.1542	3.3450	1.5655	0.2315	0.8867	1.2532	1.2878	1.2194	0.6681	0.1476	0.8579	1.0969	0.5626	1.0214	0.1108	0.4045	0.3581	0.1210	0.5028	0.5506	0.5343	0.1693	0.2399	1.5290	0.0816	0.4585	0.1039	2.5624	2.4347	2.6633	0.0737	0.0795	0.2724	0.9393	1.0559	0.1213	0.6695	0.1531	0.1666	1.5338	0.0979	0.6962	0.4707	0.1641	0.7213	0.1390	4.2359	3.4985	0.2569	5.9841	2.4350	0.3872	0.5276	1.1103	0.3267	0.2478	0.9208	0.5049	0.5073	0.4340	0.4642	0.8607	1.2184	1.7996	1.9475	2.4276	2.4431	1.1436	2.0278	0.5766	0.1841	1.7888	0.0592	0.5327	4.0758	1.8240	1.7510
4-vinylphenol sulfate	0.4169	0.4716	0.4464	0.0620	0.0780	5.4199	0.1074	0.8826	0.0892	0.0455	0.2592	0.0524	0.0689	0.0414	0.0332	0.8666	0.0424	0.2720	0.5573	0.9729	0.3786	0.0480	9.0538	1.7051	0.1547	0.0150	0.0752	0.2360	0.8365	0.6310	4.6829	0.3280	0.3517	1.7821	0.2230	0.5002	0.0742	1.3668	0.9079	0.5486	0.1869	0.6696	0.3545	0.9210	0.1191	1.2859	0.3320	0.6003	0.2723	4.0024	0.3280	1.9631	0.7960	0.5065	0.4729	1.0058	3.6124	0.0269	0.3036	2.6107	0.7253	3.2109	0.8412	0.0913	0.0764	0.3287	0.2001	1.1538	0.1556	0.0485	0.1386	0.8647	2.4289	0.0857	0.0152	2.1129	0.3052	0.3934	3.2403	2.4827	0.6021	0.2985	2.5188	2.5867	0.2787	0.3083	0.0897	0.4462	0.5677	0.3429	0.3733	0.0802	0.0676	0.2341	0.4627	0.6322	0.1195	0.4581	0.5215	1.5326	0.1337	0.0291	0.9436	0.1633	0.7883	0.2929	4.5592	0.1366	0.1115	2.1459	1.3487	0.1952	2.4753	0.0902	3.2560	1.2539	1.0303	4.3266	0.9391	0.0869	5.6831	0.6607	2.5227	0.3451	0.4044	0.1562	0.1597	0.1388	0.1500	5.2181	0.1750	0.4182	0.8169	0.2568	1.2285	0.8078	0.3313	0.7358	0.1771	1.0261	1.3979	0.2415	0.2607	0.0089	5.8603	1.7901	1.4914	1.9760
5-Acetylamino-6-formylamino-3-methyluracil	3.3002	0.0856	0.8179	0.2636	0.0255	0.3639	0.8335	0.1639	0.0103	0.0079	0.2251	0.2371	0.0107	0.0091	0.5534	0.1998	0.0165	0.6090	0.0652	0.1684	0.1180	0.2568	0.0856	0.0081	0.4303	1.0071	1.4868	2.7614	4.3966	0.4969	2.0489	0.3785	0.0081	0.2594	0.7640	0.0976	1.1653	0.2532	1.7742	1.8028	3.6115	8.2601	9.9265	3.6297	2.9727	1.7777	2.7808	4.5617	0.2533	0.0186	0.9859	1.3199	0.0701	0.0550	0.0759	0.5856	0.4300	0.7195	1.3089	5.4951	3.6412	1.7827	0.1479	0.0124	0.0680	0.1263	0.2349	5.8367	0.0557	0.1281	0.7134	0.2718	0.0094	0.0466	0.6243	0.8688	2.1074	1.9081	0.3816	0.7301	1.2615	0.2051	2.3387	0.0127	0.9138	0.3316	0.0104	1.7741	1.9033	5.7958	1.3663	0.1662	0.3053	0.1295	0.8128	0.2100	2.1375	1.0644	0.2808	1.7807	2.1394	4.0519	0.0164	1.0256	2.7749	0.2801	1.8806	0.0311	0.0841	0.5576	3.3769	0.0092	0.0120	0.1391	1.1119	5.1718	0.7754	0.0117	0.7571	1.2213	3.6228	0.0936	5.4154	1.3789	0.0085	0.9396	0.0129	0.8808	0.0114	2.3619	0.0853	1.7329	0.0115	6.6364	0.0138	0.4474	0.1604	0.0105	0.7164	0.4707	0.0491	0.3303	1.6251	0.0099	0.0105	0.1817	0.0608	1.5840
5alpha-androstane-3alpha,17beta-diol disulfate	0.1350	0.5210	0.1242	0.1229	0.2112	0.2130	0.1216	0.2812	0.7576	0.2955	1.4974	0.3118	0.1865	0.7573	2.3243	0.6713	0.5657	0.1000	0.1704	0.1296	0.1884	4.6622	1.5589	0.0916	0.1449	0.4503	2.0427	0.3150	0.4533	0.8827	0.5732	1.5054	0.2161	0.0732	1.9316	0.1921	0.3356	0.6723	1.5991	1.0217	0.5322	0.2283	0.5672	0.8479	1.0585	0.6988	0.1187	0.1828	1.4070	1.1981	0.6010	0.3719	1.2253	1.7983	5.7614	6.5186	1.4128	0.5542	0.1930	0.1818	0.4402	1.5454	0.7575	0.1388	0.2197	0.1376	0.0861	0.2171	0.1300	0.1703	0.2794	0.2475	3.2300	0.1239	0.5196	0.1330	1.6015	0.6681	0.6470	0.2421	0.5415	0.3445	2.6382	8.5306	3.8208	0.5377	1.0870	0.8654	0.7109	2.0608	1.2196	1.0904	1.9071	1.0220	0.0612	0.1938	0.8627	0.7880	0.6488	1.0070	0.7876	2.8172	1.0523	0.7989	0.2258	0.4361	0.2102	0.9332	0.2614	0.2521	1.6299	0.6974	1.3989	0.1669	0.1864	0.8995	0.4903	7.6262	0.3243	0.2896	0.1978	1.8735	0.2467	0.4081	2.2739	0.0976	3.6473	0.3395	0.1975	1.0782	0.4448	0.2661	2.3182	0.6259	0.6996	1.9874	1.3874	0.4978	0.0517	1.1491	0.1987	1.2078	0.1356	0.0163	0.7661	0.4812	1.4524	3.3436
5alpha-androstane-3alpha-ol-17-one sulfate	0.9983	1.0064	0.4660	0.1134	0.4014	0.3840	0.4154	0.5906	0.9924	0.3406	1.0459	0.8225	0.1952	1.2445	1.1991	0.2771	0.9584	0.2317	0.3814	0.2933	0.6871	3.1628	1.3802	0.8918	0.4201	2.3466	2.7583	0.8711	1.2673	0.3509	0.1462	0.7903	0.3024	0.0919	0.7142	0.3617	2.5032	1.1901	0.6429	0.5712	0.0565	0.0656	0.6515	0.7736	2.1042	0.6996	0.1890	0.1205	0.4481	0.5192	0.9638	0.4099	1.2620	2.1575	2.2267	1.9536	2.0835	1.0391	0.2808	0.2766	0.8899	0.8432	0.9119	0.3597	0.3751	0.2386	0.1253	0.1180	0.7954	0.8493	0.7774	0.7877	1.8571	0.2609	0.7191	0.4578	1.1693	0.5033	1.6160	1.0019	0.6165	0.3600	1.7699	2.6259	2.2995	0.7986	1.0628	1.4914	2.1095	1.0611	1.2527	1.3765	2.6576	1.9076	0.1682	0.0767	0.9407	0.9226	0.8030	1.4825	1.2305	2.3135	1.4523	1.0250	0.6796	0.4551	0.3618	0.6298	0.2048	0.4517	1.1175	0.8691	0.8673	0.7432	0.3649	2.0400	0.5274	2.3601	0.4756	1.9734	0.5444	1.8372	1.3306	1.1475	1.1120	0.7197	4.6492	0.7111	0.9464	1.0595	1.2731	0.2422	3.8371	1.4799	0.9379	2.4511	1.9135	0.7936	0.0421	2.2263	0.4862	0.9112	0.9601	0.0007	1.9630	0.7798	1.3213	1.2708
5-hydroxy-2,4-dioxopentanoic acid	0.7633	0.6854	0.5001	0.4505	0.4685	0.7000	0.3355	0.5860	0.4100	0.4245	0.4722	0.6028	0.7093	0.3255	0.3914	0.8435	0.6339	1.1594	0.4747	0.6718	0.5341	0.3050	0.3633	0.3765	0.6702	0.9606	0.8177	0.8108	0.6467	0.5705	0.5001	0.7181	0.6263	0.6717	1.2100	0.4967	0.6271	0.7622	0.5829	0.4487	1.2011	2.2009	0.3095	0.3782	0.4834	0.4202	0.6136	0.5364	0.4502	0.2752	0.5235	0.5881	0.3509	0.3703	0.7398	0.5868	0.5333	0.5042	1.5245	0.4346	0.4713	0.8181	0.4710	0.5146	0.4005	0.6149	0.6057	0.6590	0.4487	0.7018	0.2912	0.4217	1.0737	0.6387	0.5506	0.5619	0.6865	0.5642	0.4293	0.6357	0.4672	0.2294	0.8718	0.5168	0.4883	0.6650	0.4331	0.5335	0.5778	0.6552	0.4558	0.4986	0.7337	0.7021	0.1604	1.1418	0.5472	0.7183	0.1819	0.6579	0.7285	0.9893	0.6971	0.5153	0.6541	0.6499	0.7099	0.5202	0.6615	0.5514	0.6049	0.5173	0.4494	0.4387	0.7915	0.9237	0.4847	0.5567	0.4381	0.5106	0.6325	1.0839	0.5537	0.3523	0.3062	0.5282	0.4037	0.5435	0.3222	0.9370	0.5946	0.8033	0.6293	0.5140	0.3714	0.5062	0.5999	0.6404	0.7112	0.6229	0.2767	0.5236	0.4512	0.0018	0.4395	0.9163	4.4160	0.4380
5-Hydroxyisourate	1.0659	0.7216	1.3380	0.9840	0.8880	1.0800	1.0082	0.8615	1.0219	0.8520	1.6510	1.0994	0.9272	1.2432	2.1797	1.2246	0.9635	1.4934	1.1228	0.3946	0.9930	0.7968	0.6540	1.0142	0.9327	0.9489	1.2471	1.6845	1.4712	1.5989	1.2520	1.0735	0.9600	0.6230	0.8522	0.9149	0.9798	1.1245	1.2214	1.0964	1.7255	1.0324	0.7907	0.8017	1.3786	1.2638	1.2123	1.1346	1.4152	1.1834	1.1462	1.1003	1.4297	1.2622	1.5999	1.5145	1.2636	0.9967	1.0277	1.3880	1.5404	1.4088	1.0714	0.8948	0.9929	0.8335	0.9452	0.9394	0.6823	0.6434	1.0867	0.8632	1.5631	0.8589	1.3240	1.1411	1.2133	1.2470	1.0297	0.6851	1.0974	1.0100	1.0600	0.8408	0.9622	0.8061	0.9537	0.8481	0.6822	1.1044	1.2608	0.8785	1.6852	1.1688	1.1519	1.2057	0.9431	0.8898	1.3148	1.1532	0.6672	1.2357	0.8933	0.7165	0.8218	1.1473	0.9498	1.1877	0.9441	0.7218	1.0396	1.3495	1.2818	1.0400	1.1094	1.2716	1.1758	1.6309	1.1867	0.9413	0.6353	1.3718	1.0162	1.1510	1.4781	1.0798	1.0901	1.0328	0.8337	1.0058	0.5564	0.7189	0.5991	1.0531	0.8296	1.3840	1.1380	1.0749	1.1408	0.9097	0.8727	1.0272	0.8861	0.0041	1.0961	0.7708	0.8618	1.2246
5-hydroxynorvaline	2.3050	0.6364	0.7978	0.5690	0.3613	0.7421	0.6859	1.4384	0.8225	0.5679	0.8037	0.2282	1.4645	0.3808	0.7090	0.7280	0.6369	1.2006	0.9805	0.8921	1.2629	0.3736	1.1752	1.1728	0.4561	0.4837	0.3719	1.3270	0.6275	1.2976	2.4322	1.2673	0.6661	1.6239	0.8814	1.0543	1.0404	1.1410	1.6973	1.3149	2.5050	1.2984	1.9504	2.4000	0.8815	1.1825	1.5976	2.5824	0.7509	1.2560	2.0525	1.7844	0.5537	0.8767	0.9731	1.0763	0.6023	0.8033	1.0671	1.4263	0.5603	2.4046	0.8813	0.8086	0.6399	1.2927	0.7797	1.3447	0.7939	0.9145	0.6326	0.7488	0.6592	0.7334	0.9174	1.2194	2.3595	2.2587	1.3646	1.6331	1.1528	1.2586	0.5712	1.4366	0.4843	1.0725	1.2647	0.6166	1.9663	1.3667	0.8110	0.6810	0.7341	0.5950	0.8016	1.0762	0.6593	0.6838	0.6636	0.5034	1.6035	0.3444	0.8283	1.5952	2.8906	0.4613	1.0485	0.4922	0.5993	1.7469	1.8089	0.6195	0.5533	0.7771	1.3277	1.0584	1.2597	1.0399	0.6862	0.7923	1.0761	1.0772	1.9500	0.7549	0.6335	2.9571	0.9957	0.6069	0.8999	3.3658	1.7993	1.8600	0.1123	1.2020	1.4590	0.6172	1.4798	1.5327	0.8674	1.1635	0.8592	0.8508	0.6214	0.0457	1.0816	1.3752	0.6408	1.1579
5-Methoxyindoleacetate	0.5968	0.5943	0.7075	0.2997	1.1338	0.7142	0.6043	0.4269	0.4200	0.5053	1.2134	0.8292	0.5042	0.8994	0.9782	3.5016	0.2974	0.3940	0.8300	1.2344	0.9520	0.9539	0.9448	0.6290	0.6759	0.5714	1.2522	0.9414	0.9568	1.4697	0.5764	0.8061	0.4390	0.4061	1.6046	0.4625	1.3954	0.7085	1.7948	1.0199	1.0956	0.6868	1.2331	1.3797	1.2137	0.5742	1.2013	1.2058	1.5751	1.5860	1.3389	1.1930	1.0988	0.8802	1.4292	1.1760	0.6705	0.4304	1.3706	1.2859	1.0472	1.0001	0.7403	0.5087	0.7931	0.6790	0.8575	0.6982	1.1869	1.2577	0.9203	0.7516	1.5478	0.2735	0.7646	1.2861	1.4166	0.7339	0.9974	0.8879	0.9144	0.7242	1.4787	4.3685	1.3170	0.5208	1.1496	0.9470	0.5182	2.0185	1.0649	0.6740	1.1125	0.8205	1.2448	0.9039	1.1110	0.7565	0.5733	1.1888	1.0180	1.4494	0.6730	0.7435	0.8988	1.1278	0.8503	1.4493	0.9993	0.8786	0.9849	0.5502	0.5518	0.7939	0.9649	1.8087	0.6046	4.7927	1.2810	0.8781	1.2182	1.4801	1.1907	2.2065	0.7708	0.9150	0.6979	0.9387	0.4885	1.6660	0.8743	1.6353	2.2040	2.0084	1.1313	2.2275	1.5556	1.3027	1.7049	1.1860	0.7475	1.4306	0.9775	0.0075	1.2311	0.8339	0.9257	0.9409
5-methyl-2E-tridecenoic acid	0.6728	1.3410	0.7306	0.6337	1.3870	0.9500	0.6825	1.3515	0.7252	0.5074	1.3582	1.0096	0.4636	2.6088	1.8513	0.4305	0.7576	0.6435	0.5451	0.8046	1.1820	0.6660	0.4830	0.5873	0.6553	1.0461	0.9978	3.5232	2.3932	0.2912	0.3277	1.7063	1.1403	1.2197	0.8205	0.5540	1.0794	0.7466	0.4894	0.2900	1.1267	2.9877	0.9774	1.3016	1.5556	0.7109	1.0643	0.2545	0.6756	0.2976	1.9674	1.0453	0.7990	1.5535	1.2762	0.9835	1.3520	0.7371	1.0260	1.2635	0.7503	0.7557	1.3056	1.0215	0.8806	0.9668	0.7247	0.7346	0.5256	0.8006	0.6850	0.3952	0.8061	1.1436	0.8337	0.6378	1.1136	1.8199	0.6126	0.9864	0.5793	0.9562	0.9100	0.8848	0.6306	1.4833	1.2077	0.5915	0.4290	0.8109	0.7018	0.2636	1.5289	2.1812	0.7993	0.8741	3.1766	1.3597	2.3652	1.7792	1.8488	1.4200	1.6021	0.8983	0.5563	1.0497	1.1564	1.2331	0.7398	1.0247	1.1775	1.6182	0.7319	0.3498	0.9658	0.8897	1.6198	0.6681	0.6723	1.2664	1.8491	0.6067	1.3581	0.8685	0.1372	1.5801	1.4427	2.0987	1.6473	1.5686	1.9475	1.6705	1.6554	0.4837	0.4301	1.0738	0.4372	0.6264	2.0844	0.9718	0.9009	0.4471	3.5519	0.0009	0.5978	1.9624	0.8562	0.8466
5-oxo-6E,8Z-tetradecadienoic acid	1.2739	0.7814	1.1463	0.8833	0.7567	0.7970	0.9597	0.6985	1.0418	0.3804	0.6290	1.1352	0.6007	1.2135	0.7644	1.8554	0.4415	0.8893	0.9366	0.7885	0.5464	1.1777	1.0026	1.0419	0.4458	1.0416	1.0913	1.3005	0.4968	0.9587	0.4733	0.6107	1.4329	0.7325	1.0137	0.5082	0.9463	0.8734	1.1613	0.7686	1.0826	2.2581	1.4284	1.1852	1.1691	1.1255	1.0937	0.6581	0.6121	0.4738	1.1091	0.6273	1.1306	0.8256	0.7991	1.2161	0.4123	0.7933	0.3289	0.8024	0.7660	0.6002	1.0960	0.7557	0.9422	0.9932	1.0339	1.0078	2.6093	1.6506	0.9997	0.6249	1.2869	0.5561	1.1154	2.1684	0.4434	0.6745	1.4781	1.5485	1.2618	0.7530	1.2389	1.1122	0.9001	0.7588	3.0707	1.5669	0.5380	0.7233	0.7898	0.5777	0.9991	0.6813	0.5983	0.6439	1.6016	1.0850	1.4282	1.6709	1.5783	0.7910	0.8134	1.4813	1.1405	0.4179	0.3094	0.9411	0.6246	0.7336	1.3233	1.5047	0.2693	0.5269	1.2788	3.7472	1.3074	0.6523	1.6032	1.3843	0.9444	1.6271	1.3629	1.0964	0.6744	1.4697	1.2188	1.7962	1.1803	2.1387	1.4330	1.3727	1.7910	1.7656	2.0139	2.7899	1.0705	2.2857	1.9996	2.5137	1.8972	1.1723	0.8181	0.0063	1.4729	1.6797	0.6361	1.0089
5(S)-HpEPE	0.0575	0.0503	0.1217	0.0316	0.0159	0.0416	0.0184	0.0515	0.0146	0.0209	0.0600	0.0196	0.0400	0.0195	0.0609	0.0256	0.0773	0.0736	0.0727	0.0314	0.0410	0.0518	0.0514	0.0431	0.0277	0.0771	0.0284	0.2274	0.2185	0.0390	0.2330	0.0521	0.0198	0.0849	0.0233	0.0221	0.0609	0.0453	0.0234	0.0217	0.0152	0.0173	0.7952	0.7796	0.1000	0.0391	0.0520	0.0290	0.0516	0.0520	0.3041	0.4393	0.0609	0.0465	0.0483	0.0418	0.0285	0.0153	0.0414	0.0178	0.0387	0.0443	0.0374	0.0243	0.0943	0.0799	0.1665	0.0405	0.0173	0.0217	0.0453	0.0781	0.0241	0.0259	0.0586	0.0326	0.0687	0.0547	0.0237	0.0565	0.0972	0.0347	0.0376	0.0426	0.0529	0.0363	0.0426	0.1399	0.0466	0.1182	0.1921	0.0630	0.0416	0.0895	0.0662	0.0545	0.0306	0.0315	0.0356	0.0534	0.0841	0.0662	0.0554	0.0928	0.2513	0.0337	0.0764	0.0919	0.0316	0.6936	0.4960	0.0326	0.0289	0.0428	0.1247	0.1545	0.1399	0.0462	0.0580	0.0622	0.4828	0.0544	0.2554	0.0322	0.0153	0.0495	0.0432	0.0469	0.0246	0.3778	0.0321	0.0236	0.0324	0.0863	0.0504	0.0816	0.0472	0.0630	0.0211	0.0909	0.0386	0.0305	0.0236	0.0108	0.0420	0.1679	8.1559	0.1463
5-sulfooxymethylfurfural	0.5982	0.3565	0.1624	5.2830	3.3598	2.9598	0.0741	0.0423	0.1728	0.0336	0.2125	0.2961	0.1132	0.0113	5.4277	0.6735	0.1214	0.1604	0.0153	0.6993	3.9963	0.0068	0.1042	1.0188	0.3646	0.0152	0.4937	0.0109	0.2033	0.5978	0.8740	0.0087	0.3008	0.5315	0.0422	1.0255	1.7353	1.3600	1.5705	6.3796	0.0503	0.1149	0.7808	0.9803	0.2949	0.1981	0.5348	0.5937	5.4724	2.1194	0.0369	0.0196	4.3126	0.2100	0.5905	0.2325	0.3425	0.0051	0.0903	0.1754	4.2647	0.5042	0.6475	0.0209	0.0727	4.0962	0.8054	6.5719	9.2893	0.1397	0.8828	2.6964	0.6216	0.0450	0.0054	0.0137	0.1016	0.0388	0.3047	0.0956	2.6108	0.0791	0.0297	2.4237	0.7872	1.0993	0.5674	0.3257	0.0869	0.0640	0.0089	0.0121	0.0123	0.0355	0.1886	4.1631	1.4525	0.0097	0.5232	0.1467	0.0348	0.0205	1.5940	0.0059	1.7469	0.2106	0.0210	0.2596	0.0148	0.0524	3.4208	0.1267	0.0263	0.4280	0.0148	11.7812	0.1257	0.7703	0.3613	0.3499	2.4904	4.5804	0.1185	5.7435	0.1373	0.0085	0.0110	1.0145	0.2053	0.0330	2.3320	0.1645	0.1812	3.7737	0.1198	0.8322	0.3790	1.4359	0.0422	1.0994	0.2234	3.0635	0.1802	0.0028	0.7926	0.9299	0.9434	0.7152
6-[(methoxythio)carbonyl]pyridine-2-carboxylic acid methyl ester	0.0147	0.0197	0.1642	1.5101	0.0241	0.0136	0.4735	0.2842	0.0106	0.0956	1.4299	0.0122	0.0619	0.0152	0.0248	3.2038	0.0772	0.0269	0.0206	0.0108	0.1233	2.3176	0.3633	0.0309	1.3871	0.0242	0.0183	0.0707	0.0178	0.0609	0.0837	8.3721	0.0111	0.0508	0.0741	0.0148	0.0232	1.5145	0.0137	0.0182	1.4773	1.1934	0.8430	1.9333	1.4860	2.0580	0.0134	0.0176	0.0108	0.0175	5.5485	7.7645	0.0140	0.0350	0.0297	0.0304	0.4375	7.9746	0.0191	0.0146	2.5386	0.0238	0.0148	0.0134	0.0108	0.0264	0.2863	6.0944	0.0143	0.1511	0.7494	1.3727	0.0197	3.6241	0.8629	0.0242	0.3087	1.9921	0.1894	0.0957	0.7607	1.9590	0.0711	0.0212	5.5322	0.9818	0.0128	0.0213	0.6691	0.0318	0.0120	1.4831	0.1549	0.0200	0.0140	0.8924	0.0158	0.1036	0.2039	0.6197	1.4508	0.0139	0.0187	12.7385	10.3128	0.3405	0.0859	1.8550	3.2697	1.6161	0.0252	0.1173	0.0227	0.0260	2.6709	0.0192	1.7017	0.4752	0.1109	0.0215	0.0248	0.0179	0.7455	3.7640	0.0264	0.2245	0.0180	0.0143	0.0108	0.9367	3.2439	2.6371	0.0214	0.1147	5.2178	0.0202	2.0839	0.8910	0.7933	2.9794	0.0635	0.0166	0.0649	0.0083	0.0189	1.7401	1.2685	1.4822
7-oxo-11E-Tetradecenoic acid	0.2800	0.6943	0.8404	0.8056	1.2351	0.5899	0.8495	1.3999	0.9506	0.7836	0.8969	1.9327	1.2310	2.5979	1.7798	0.4834	0.6482	1.0646	0.5029	0.4947	0.6775	0.8345	0.5382	0.7363	1.3389	1.1228	1.0908	1.6761	1.0841	0.5650	0.7120	0.8302	1.6743	1.2923	1.6017	0.9114	0.9683	1.6545	1.0476	0.4476	0.5269	0.9686	1.1132	1.2251	1.2707	0.6408	1.6777	0.6184	1.4211	0.3557	0.7701	0.6592	0.7540	1.2003	0.9603	0.9569	1.7297	1.2238	0.3035	0.8261	0.6750	0.5830	0.9389	1.0383	0.8932	1.4144	0.8345	0.7909	0.9641	1.3308	1.3880	0.8135	0.8377	0.8184	0.7478	0.7702	0.5607	0.7624	0.7433	1.2429	0.9931	1.3455	1.5200	0.2565	1.6224	1.6591	2.7844	1.2723	0.7195	0.7522	1.6147	0.5188	1.5854	1.8963	0.6477	1.1121	2.4224	0.7754	1.1042	1.2427	1.2909	1.2249	1.6848	0.8917	0.6576	0.8430	1.2101	1.2663	0.9309	0.5300	1.3524	0.7294	0.6936	0.4862	0.5769	1.7703	1.8941	1.0543	1.6990	1.6950	1.1061	0.8380	0.7079	0.7029	0.3190	1.0602	2.4434	3.2695	1.8912	1.3121	2.9583	0.9923	2.5792	1.3871	0.8354	2.0371	0.7540	1.7911	2.3503	1.2640	1.0155	0.7784	0.9139	0.0119	1.0393	1.7304	0.6010	0.5973
9,12-hexadecadienoic acid	0.5689	0.9925	0.9643	0.7928	1.0440	0.8437	0.6153	1.0786	1.0497	0.7626	1.6481	1.4390	0.6708	2.1029	1.3279	0.7367	0.8140	1.0314	0.6777	0.4880	0.8628	0.9162	0.7288	0.8166	0.6061	1.3735	1.4176	2.1823	1.5959	0.3738	0.4341	1.4001	1.8421	1.5449	1.2323	0.7519	1.2550	0.8210	0.8280	0.5180	0.6647	1.3427	0.6743	0.8264	1.7142	0.7297	1.0281	0.3886	0.7693	0.6210	1.2004	0.7847	0.9777	1.3076	0.8601	0.8960	1.3020	0.8255	2.0136	0.8999	0.8735	0.8617	1.5248	0.8450	0.6484	0.8971	0.8646	0.9837	0.6078	1.0281	0.7974	0.1091	1.2826	0.8764	1.2021	0.8019	1.2136	1.5841	0.4949	0.4577	0.8797	1.0143	1.0874	0.6086	0.9932	1.0332	1.1715	0.6977	0.5377	0.8432	0.7908	0.4486	1.2172	1.6660	1.0521	0.8172	1.8581	1.0106	1.6029	1.1233	1.3710	1.0202	1.1249	1.0082	0.5740	0.8297	0.8634	1.7199	0.9850	1.0211	0.9533	1.2347	0.7921	0.5871	0.8580	0.7550	1.6793	1.3168	0.7971	1.2332	0.8539	0.7361	1.1010	0.9067	0.2647	1.8308	1.8176	1.7012	2.0378	1.4411	1.5680	0.9334	1.3811	0.6739	0.6233	0.8605	0.5338	1.3370	2.1257	1.0365	0.7392	0.5636	2.5447	0.0044	0.7333	1.9680	1.1644	1.0072
9-A1-PhytoP	0.3296	0.2789	0.3551	0.2906	0.2666	0.3209	0.2919	0.3903	0.3007	0.2845	0.2712	0.2752	0.4019	0.2818	2.4587	0.3369	0.3072	1.4281	0.2963	0.3907	0.3203	0.3130	0.4057	0.2647	0.2710	0.2981	0.3556	0.2485	0.2507	0.3131	0.3175	0.2981	0.3075	0.3065	0.4938	0.2874	0.3450	0.3126	0.3512	0.2867	0.3201	0.3103	0.2851	0.3069	0.2742	0.2716	0.3693	0.3559	0.2959	0.3539	0.2953	0.3310	0.2844	0.3088	0.3118	0.3248	0.2757	0.2654	0.4257	0.2510	0.3078	0.3341	0.2887	0.2656	0.2681	0.3747	0.2855	0.2781	0.2731	0.2928	0.2623	0.2912	0.3454	0.2827	0.3055	0.4333	0.5790	0.2885	0.3156	0.3715	0.3473	0.4739	0.4630	0.5835	0.4367	0.2585	0.4538	0.2983	0.3597	0.4022	0.2888	0.2919	0.3559	0.4547	0.4156	0.3994	0.3701	0.3275	0.5330	0.4157	0.3949	0.4279	0.3271	0.3957	0.3555	0.2895	0.3200	0.4170	0.3106	0.3182	0.4241	0.2976	0.2334	0.3295	0.3197	0.4996	0.3238	0.4972	0.4228	0.2725	0.3570	0.5155	0.3822	0.2706	0.2669	0.8275	0.3354	0.2978	0.3608	0.4563	0.3396	0.4036	0.4101	0.3611	0.4198	0.5430	0.4880	0.3484	0.3035	0.4556	0.3604	0.4793	0.3361	0.2588	0.4217	0.3981	6.0122	0.4199
(+/-)9-HpODE	0.0463	0.0435	0.0091	0.0368	0.0033	0.0032	0.0066	0.0022	0.0016	0.0113	0.0186	0.0088	0.0076	0.0167	0.0415	0.0145	0.0059	0.0432	0.0206	0.0062	0.0055	0.0123	0.0019	0.0203	0.0442	0.0171	0.0135	0.0233	0.0375	0.0024	0.0059	0.0154	0.0608	0.0422	0.0061	0.0283	0.0400	0.0139	0.0237	0.0032	0.0194	0.0102	0.0141	0.0039	0.0188	0.0051	0.0267	0.0055	0.0107	0.0215	0.0220	0.0576	0.0102	0.0341	0.0067	0.0156	0.0190	0.0061	0.0413	0.0130	0.0263	0.0038	0.0310	0.0294	0.0200	0.0190	0.0040	0.0231	0.0115	0.0034	0.0358	0.0188	0.0079	0.0147	0.0557	0.0194	0.0263	0.0239	0.0354	0.0095	0.0118	0.0023	0.0066	0.0309	0.0411	0.0225	0.0347	0.0072	0.0084	0.0059	0.0240	0.0044	0.1091	0.0387	0.0296	0.0398	0.0192	0.0092	0.0189	0.0330	0.0151	0.0213	0.0289	0.0090	0.0179	0.0041	0.0053	0.0158	0.0068	0.0339	0.0063	0.0079	0.0159	0.0479	0.0116	0.0295	0.0293	0.0096	0.0057	0.0058	0.0424	0.0135	0.0234	0.0224	0.0339	0.1261	0.0248	0.0223	0.0282	0.0304	0.0827	0.0332	0.0367	0.0204	0.0267	0.0257	0.0266	0.0057	0.0436	0.0225	0.0211	0.0238	0.0373	0.0015	0.0254	0.0322	8.6053	0.3367
(9S,10S)-9,10-dihydroxyoctadecanoic acid	0.3645	0.4451	0.4384	0.4019	0.3256	0.4023	0.2356	0.2814	0.3155	0.1507	0.2943	0.3613	0.3255	0.5044	0.5962	0.2364	0.1513	0.3754	0.2253	0.3038	0.2596	0.2212	0.2555	0.2933	0.3488	0.3270	0.3196	0.4624	0.5279	0.1940	0.1486	0.4357	0.4004	0.4304	0.1585	0.2776	0.3078	0.3243	0.3198	0.2086	0.3342	0.6683	0.2940	0.5324	0.3954	0.2861	0.3556	0.1492	0.3058	0.2360	0.5814	0.5284	0.1637	0.4096	0.4414	0.4548	0.4838	0.3194	0.5722	0.4091	0.2431	0.3033	0.3879	0.3247	0.2646	0.5613	0.3144	0.3486	0.2702	0.3495	0.3424	0.2837	0.1420	0.2132	0.4248	0.2971	0.3561	0.3096	0.2257	0.3462	0.2467	0.4528	0.2985	0.3934	0.2309	0.4899	0.3705	0.2160	0.1648	0.2242	0.2192	0.1325	0.5605	0.7170	0.3533	0.3614	0.5188	0.3142	0.5727	0.4384	0.4136	0.3693	0.3450	0.4265	0.4634	0.3231	0.6146	0.5743	0.2968	0.3369	0.3632	0.4334	0.2078	0.2672	0.2213	0.4688	0.5244	0.2738	0.3284	0.4910	0.6429	0.3096	0.4195	0.2660	0.1749	2.3914	0.3830	0.7927	0.3480	0.5339	0.4504	0.3465	0.4953	0.4022	0.3174	0.3020	0.2053	0.2369	0.6155	0.3230	0.3382	0.2484	0.9351	0.0187	0.2236	0.4978	5.9950	0.5618
9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid	0.0769	0.1044	0.3387	0.2967	0.2369	0.1943	0.0876	0.2805	0.1677	0.1239	0.4298	0.1739	0.2190	0.2627	0.8159	0.0750	0.1829	0.3179	0.1026	0.1709	0.0845	0.0912	0.1493	0.2296	0.1850	0.3037	0.1434	0.2285	0.2471	0.0800	0.2492	0.3835	0.1105	0.1595	0.3996	0.2521	0.3685	0.2846	0.4004	0.0922	0.1307	0.3714	0.0635	0.0683	0.2180	0.3760	0.0822	0.0792	0.1862	0.1741	0.3812	0.1838	0.2004	0.2280	0.3684	0.3683	0.5446	0.5684	0.0948	0.0959	0.1680	0.1004	0.0643	0.1599	0.1598	0.1994	0.1659	0.0877	0.2231	0.0716	0.2470	0.1544	0.1670	0.2232	0.0855	0.1130	0.3510	0.3604	0.1241	0.5036	0.1764	0.3387	0.1817	0.2205	0.1985	0.4895	0.1725	0.1253	0.1079	0.1305	0.1368	0.1009	0.3583	0.1388	0.1946	0.1023	0.1582	0.1250	0.1975	0.2158	0.2102	0.0953	0.0919	0.2856	0.1074	0.1827	0.0821	0.2370	0.1714	0.1415	0.1097	0.2087	0.0644	0.1026	0.0712	0.6566	0.2892	0.2637	0.3052	0.1252	0.1059	0.3782	0.0851	0.1162	0.1093	0.3983	0.1629	0.6011	0.0990	0.2251	0.1179	0.1729	0.3742	0.2980	0.1208	0.2428	0.1420	0.1115	0.3174	0.2016	0.3355	0.3153	0.2962	0.0576	0.0939	0.2307	7.2156	0.2564
9(Z),11(E)-Conjugated linoleic acid	0.5100	1.0623	0.9765	1.0022	1.0163	0.9097	0.6289	1.0195	1.1259	0.8917	1.4385	1.5911	1.0189	1.7667	1.4734	0.5936	0.8720	0.8462	0.7919	0.5867	0.6639	0.9342	0.7788	0.7917	0.8359	1.3015	1.0147	1.5362	1.0741	0.3441	0.5154	1.6283	1.7312	1.8451	1.0552	0.8774	1.4577	1.1781	0.8578	0.5766	0.5395	1.1322	0.7458	0.9614	1.4389	0.7612	1.2153	0.3961	1.0014	0.5390	1.3381	0.7953	0.8923	1.3893	0.8331	0.7855	1.6755	0.9671	1.5325	0.8392	0.8599	1.0090	1.1185	1.1178	0.7013	1.0400	0.8145	0.9118	0.6664	0.8693	0.8663	0.6072	0.9525	0.9687	1.0442	0.6038	0.8694	1.3899	0.6681	0.9095	0.8095	1.2773	1.4881	0.4655	1.1626	1.3885	1.0547	0.6802	0.4872	0.7657	1.0157	0.7281	1.5287	2.0972	0.9433	1.0227	1.6457	0.8858	1.3671	1.1171	1.4471	1.1150	0.9548	0.9408	0.6981	0.7231	0.8798	1.7066	1.2446	0.7822	1.0564	1.3963	0.9799	0.6654	0.7410	1.1827	1.4876	1.0788	1.0081	1.2879	0.8701	0.7935	0.7683	0.9822	0.3013	2.3526	1.9648	2.0973	1.5581	1.4832	1.1658	0.6797	1.1399	0.6774	0.4591	0.7741	0.4128	1.0391	1.3698	0.8699	0.6919	0.4960	2.0412	0.0005	0.6081	1.6611	1.2359	0.9128
(9Z)-Tetradecenoicacid	0.4529	1.5007	0.6339	0.5733	1.2286	1.0344	0.8299	1.2660	0.8555	0.8184	1.5129	1.2911	0.9000	3.1280	3.0281	0.1307	1.0415	0.4125	0.5312	0.2704	0.9310	0.9284	0.6107	0.9333	0.7611	0.7914	0.5859	3.7232	2.7080	0.1953	0.5624	2.0653	0.9780	1.1858	0.4763	0.4122	1.0876	1.1282	0.2443	0.2037	0.6158	2.9278	0.7969	0.9575	1.7665	1.1551	1.3084	0.4781	1.1177	0.1726	2.2867	1.1461	1.0982	2.1946	1.6403	1.2578	2.0363	1.1530	0.6702	0.5065	0.6384	0.5849	1.2473	1.6217	0.9885	1.2547	0.1709	0.7352	0.5482	1.1344	1.0892	0.5827	0.5117	1.0486	0.9176	0.5765	1.4530	1.5235	0.3971	1.0764	1.0389	1.1173	1.4986	0.1685	1.0447	1.4426	1.6209	0.7046	0.1662	0.6180	1.2641	0.4058	1.9598	2.0169	0.5229	1.1943	3.3658	1.5182	2.9364	2.2934	2.1356	2.2665	1.9815	1.3497	0.4271	0.8428	1.2424	1.5220	0.6943	0.5495	1.1622	1.6950	0.5003	0.3799	0.9125	1.1184	1.6762	0.3804	0.8427	1.8977	1.8878	0.2276	0.7218	0.3244	0.3683	1.2248	1.4073	2.4535	0.5477	1.7651	1.8742	1.6933	2.1752	0.7362	0.6576	0.5569	0.2309	0.5559	2.8039	0.2851	0.8889	0.4186	4.4184	0.0748	0.8686	1.7206	0.3899	0.6152
(±)-Abscisic acid	1.3598	0.3716	2.1114	0.4697	1.4564	1.4501	0.8417	0.4367	0.7802	0.9763	0.6347	0.8680	0.0868	0.7335	0.5982	1.0645	0.3397	0.9422	1.3440	0.3041	0.3507	2.3327	2.5399	0.4540	0.3827	0.6765	1.0837	1.5674	1.6621	0.5274	0.6511	1.8457	0.8911	0.9194	1.7359	0.2187	0.4858	0.9516	0.6094	1.2132	0.3283	0.4871	0.4488	0.6283	1.9031	1.3149	0.3024	0.3889	1.0487	0.9589	1.2558	0.6894	1.4649	0.5390	1.1762	1.5488	1.2181	1.0465	0.2818	0.9033	1.0849	0.3477	0.8452	0.3794	0.3576	1.1120	0.2831	0.3986	0.6628	1.8773	1.2164	0.7448	0.7140	0.2033	0.3796	1.2195	1.6751	1.3058	2.1384	3.1823	1.6944	0.9499	1.3737	0.6810	1.6871	0.5102	1.5132	0.9107	0.7587	1.2227	0.9147	0.6640	0.4667	1.0856	1.0153	0.5297	1.0219	0.7934	2.2786	2.7119	1.7996	1.2790	0.4594	1.2829	0.6350	0.4871	0.3864	1.1899	0.5864	0.8744	1.3861	1.1143	0.3346	1.7823	1.6219	2.3621	1.3917	3.0460	1.6838	0.4359	0.0773	1.5585	0.7039	1.9272	0.4264	0.3034	0.7822	0.8842	0.6257	1.4022	0.7459	0.2452	0.9504	0.9018	0.2963	2.0013	1.5049	0.4707	0.2397	1.5961	2.2232	2.8709	0.6522	0.0367	1.2267	0.5862	1.2752	0.9466
Acesulfame	4.9713	0.0206	0.1100	0.0516	0.4831	0.2315	0.0235	0.2825	0.0238	0.0349	0.0249	0.0303	0.0787	0.0409	0.2105	0.0189	4.8727	0.0151	12.7688	0.0414	0.0804	0.0646	0.0371	0.0238	0.6370	0.0483	0.0307	3.5731	3.0673	5.6627	2.3278	0.0300	0.0303	0.0254	0.0381	0.1120	0.0638	0.0558	4.4350	0.5666	0.1752	0.0327	0.0325	0.0311	3.9785	4.5331	0.0458	7.5084	1.5500	1.2598	0.0501	1.0760	1.0601	0.0217	0.0200	0.1870	1.8356	0.0225	0.8346	0.0753	2.5607	5.0288	1.6593	1.5966	0.0338	0.4075	0.9579	2.0351	0.0422	0.0809	0.1419	0.1373	0.0926	0.5132	0.0985	0.1387	0.0440	0.0398	0.0640	0.0758	0.0176	0.0205	0.9294	0.0428	0.9896	0.0148	3.4293	0.0583	2.2866	0.0273	0.0108	2.0065	0.2522	1.1302	0.0097	0.0817	0.1119	0.0858	2.9609	5.3842	2.7085	0.3624	0.1217	0.0101	0.0716	0.0714	1.6093	0.0104	0.0149	0.0377	6.3915	0.3451	0.2162	0.0187	0.0123	0.0113	0.0118	0.0161	0.0342	0.0765	0.0844	0.0371	0.0130	3.0743	0.0912	0.0228	0.0121	0.0102	0.0081	0.0142	0.0100	0.1117	0.0972	0.0204	0.0740	0.1468	0.0134	0.0115	0.0184	0.0190	0.0847	0.0199	0.0101	0.0077	0.0174	0.9889	2.6652	0.0584
Actinozine A	0.7743	7.0030	0.1446	1.8881	1.6202	1.0724	0.1462	1.1835	0.5000	0.5259	1.7769	0.3986	1.0902	1.7853	8.7508	0.2093	3.4879	1.1711	0.8228	0.1873	0.3802	0.1696	0.1474	1.3304	2.9997	1.0223	0.2810	1.3963	3.0143	0.2110	0.2849	2.8209	2.4250	0.5210	3.9164	2.4679	0.9039	2.5591	2.3532	0.1486	0.6126	0.6989	0.4669	0.9523	0.6374	1.9623	0.2214	0.1993	0.7909	0.3102	1.5948	0.5659	0.1207	1.2787	0.9280	0.3765	10.1167	2.7822	0.3456	0.5339	0.7098	2.4719	0.4959	1.4373	0.4261	1.0353	0.1766	0.1380	0.2318	0.4178	0.4298	0.5292	0.3671	1.2359	0.6598	0.2603	1.0655	4.8767	0.6891	1.5082	0.1726	0.2638	1.2341	0.8739	0.2103	2.6169	0.3990	0.2503	0.3169	0.6762	0.3865	0.2783	3.6529	1.3025	0.1682	3.3058	0.6846	0.3529	0.4806	0.0890	0.2453	1.1957	0.6443	1.1081	0.6937	0.0716	0.4003	0.0825	0.4552	0.0267	1.3242	1.1858	1.6394	0.2250	0.1092	1.2304	0.4023	0.7750	0.2238	0.4547	0.7700	0.1261	0.1284	0.1569	0.2804	0.1594	2.3240	0.7967	0.1664	1.6809	0.1243	0.7615	0.7042	0.1330	0.0911	0.1510	0.0544	1.3715	0.9601	0.5613	0.5777	0.1458	0.4297	0.0121	0.0722	1.4590	1.1069	0.3209
Adrenic acid	0.4628	1.5354	0.6492	0.8193	0.8166	0.9125	0.5369	1.3697	0.8035	0.8064	1.6170	1.6328	1.4076	1.9018	3.3545	0.9070	1.6538	0.5421	0.7113	0.5120	0.8900	0.8340	0.6538	0.6584	1.2878	1.6352	1.1904	1.5799	1.2066	0.3844	0.6115	2.2278	2.0389	2.1787	1.8751	1.2138	1.1597	1.6142	0.8062	0.4729	0.3867	1.1629	0.6915	0.9123	0.7629	0.4735	1.0626	0.4259	1.3908	0.5964	1.0873	1.2556	0.6804	2.1289	0.9488	1.1029	1.6282	1.6956	1.5761	0.9682	0.4951	1.1772	0.9392	1.4996	0.7752	1.1705	0.2048	1.3216	0.4684	0.9048	0.7038	0.5682	1.0953	0.9393	1.0736	0.6250	0.7235	1.6562	0.5317	0.8368	0.7786	2.0351	1.9295	0.5842	1.7418	2.6087	1.4039	0.6863	0.5548	1.0365	1.0854	0.9471	1.5800	2.2918	0.9007	1.2439	1.3882	0.8405	1.0413	1.0318	2.0290	1.3342	1.9622	0.7398	0.6621	0.6964	0.7855	1.5594	1.6261	0.5420	1.2889	0.9277	1.4671	0.7270	0.9436	0.8390	1.8424	1.2703	0.6060	0.9032	0.6360	0.4997	0.7262	1.0353	0.4297	1.7472	1.3520	2.2992	1.3724	0.8736	1.7546	0.5374	1.3587	0.6240	0.3395	0.7535	0.6373	0.6115	1.0615	0.4628	0.5062	0.5936	2.1494	0.0017	0.6860	0.8828	0.7903	0.7720
Alepric acid	0.4261	0.6740	0.5557	0.7768	1.0989	0.6188	0.8835	1.4351	0.7675	0.6442	1.1976	1.6947	0.8893	2.4889	1.8522	0.5386	0.7310	0.4502	0.6764	0.5196	0.7393	0.9033	0.6157	0.8114	0.8842	1.0098	1.2081	1.9682	1.2071	0.3309	0.5075	0.9580	2.2664	1.3987	0.9773	0.8667	1.1170	1.3130	0.5859	0.4018	0.6048	1.4858	0.9568	1.2031	1.1392	0.7205	1.7376	0.5036	1.1618	0.5049	1.0588	0.8044	1.4965	2.2360	0.8506	0.9389	1.4946	1.3934	0.3719	0.9427	0.4929	0.4227	1.1617	1.7151	0.6160	1.1332	0.8146	0.7529	0.8564	0.9575	1.3062	0.6050	0.5697	0.7876	0.7848	0.8547	0.8847	1.3034	0.8966	1.5193	1.3038	1.9041	1.1198	0.3182	1.0827	1.4675	3.0963	0.9725	0.5536	0.4927	1.3283	0.4512	1.1858	1.4590	0.7247	1.0414	4.4866	1.3390	1.3556	1.7052	2.0616	1.2716	2.1752	0.7642	0.7369	0.6655	1.0324	1.4898	1.1801	0.7749	1.0038	0.9933	0.7656	0.5889	0.5203	0.9109	2.2515	0.8391	1.1553	1.4458	0.9672	0.8019	1.2352	0.7309	0.1691	0.8887	1.4070	1.9003	2.9019	1.1743	3.9087	1.0847	1.8052	0.7631	0.9445	1.0391	0.5056	1.0374	2.8181	1.1904	0.7294	0.6663	1.7140	0.0022	1.0344	1.3700	0.6409	0.6425
all-cis-4,7,10,13,16-Docosapentaenoic acid	0.5659	1.2405	0.7322	0.9415	0.9258	0.8039	0.5511	1.5767	0.8558	0.6544	1.2691	1.2901	1.0262	1.7469	2.5904	0.9903	0.9490	0.5560	0.6911	0.4101	0.8406	0.7657	0.6651	0.6670	1.0514	1.1396	1.1999	1.5957	1.0515	0.3469	0.4610	1.2863	1.8961	1.6471	1.4749	0.9710	0.9703	1.1597	0.8080	0.5078	0.4717	1.3292	0.8432	1.1723	0.7672	0.4833	0.9389	0.3349	1.1473	0.5098	0.7591	0.9742	0.6768	1.7870	0.8620	1.1602	1.2841	1.2477	2.2206	1.0387	0.3622	0.7869	1.1265	1.0028	0.6979	1.0412	0.9996	1.1811	0.6414	1.1967	0.6464	0.3735	1.0311	0.8125	0.9324	0.6785	0.5969	1.3177	0.4887	0.7476	0.7718	1.5507	1.5240	0.5191	1.3459	2.0054	1.5639	0.6947	0.5269	0.8928	0.8354	0.6025	1.4877	2.1783	0.7947	1.0140	1.8092	0.9011	0.9454	0.9675	1.7627	1.0809	1.6526	0.5952	0.6079	0.5796	0.6444	1.4791	1.0940	0.6066	1.1850	0.6790	1.0145	0.5790	1.0804	1.2199	1.9806	1.1261	0.7110	1.2673	0.6599	0.6952	0.9114	1.1734	0.2816	1.7953	1.6155	2.2457	1.5819	1.5178	2.3656	0.7030	1.5051	0.8089	0.5196	0.8075	0.6963	1.3715	1.6923	0.8377	0.6986	0.5739	1.9162	0.0011	0.7905	1.3681	1.1937	0.7399
Alliin	1.0859	1.0786	0.8859	0.7298	1.0227	0.8526	0.7082	0.6637	0.6766	0.7582	1.0769	0.8403	0.8125	0.9358	0.7952	1.0865	1.0681	2.2362	1.3153	0.9571	1.2709	0.9456	1.1022	1.0126	0.7763	0.3427	0.6642	0.1437	1.0735	1.1727	0.8845	1.2938	0.9284	0.6883	1.8533	1.0021	1.3715	1.5967	1.7094	1.3939	1.8516	1.9568	1.2704	1.4859	1.5071	1.1664	0.9574	0.9234	1.2710	1.3710	1.1829	1.5788	0.9056	0.8778	2.0787	2.3794	0.9505	0.9253	0.9148	1.4423	1.0938	1.3328	0.9200	0.9053	1.2405	1.1927	0.7531	1.0700	4.6943	4.6169	0.9041	0.8627	2.1365	0.6116	0.9154	1.5117	1.2815	1.5631	0.8820	0.7963	0.7975	0.5176	0.5449	1.3324	0.4822	0.6180	0.6755	1.1887	0.7062	0.9392	0.7003	0.7075	0.4598	0.7741	0.8547	1.1851	0.7996	0.7723	0.8608	0.9405	1.0663	1.0326	1.0025	0.9120	1.0128	0.9075	0.4925	0.7127	0.8085	1.0967	0.6923	0.9603	0.7686	0.7396	0.9773	1.1767	1.0726	1.3465	1.0602	0.9137	0.5384	1.1110	0.9181	1.1676	2.5726	1.2029	0.9231	0.6067	0.4763	0.9448	0.6747	0.9224	0.8364	1.2917	0.9800	1.2096	1.1400	1.2746	1.0178	0.8088	0.8509	1.4108	0.9029	0.0504	0.7398	1.0309	0.8689	0.4832
Allopurinol	0.3416	0.8932	0.3091	0.7050	0.8669	2.2403	0.8863	0.2442	0.7015	0.5977	0.3481	0.9637	1.8734	0.6257	2.9379	0.7488	0.2720	2.0664	0.9930	0.6864	0.6703	0.8517	0.3937	0.6659	1.0353	0.2640	0.2989	0.1630	0.4579	0.6099	1.4487	0.9674	0.2918	1.1031	1.1154	1.2637	0.5321	1.3323	0.3687	1.2448	0.4602	0.6114	1.8067	1.2188	1.2655	0.4633	0.6790	0.3552	1.8064	0.6089	1.4296	0.4395	1.9340	2.7087	2.5091	3.4217	0.5830	1.0366	2.7076	0.6139	0.8209	3.1278	0.6462	1.6963	2.3017	2.3297	0.8247	0.3537	0.7098	0.8955	1.1157	1.4130	0.2695	1.1895	0.3715	1.3489	2.4580	1.5291	0.7212	0.6883	0.8092	4.6599	0.8812	4.3972	2.3943	1.2262	0.6580	2.0861	1.6214	0.7084	1.9321	0.4783	1.0535	2.1348	2.8602	2.4726	1.2131	3.0959	0.2205	1.1174	0.8206	1.4365	2.5156	0.6898	1.2259	1.4081	1.5118	0.9557	0.9210	2.3488	0.2443	2.9331	0.5284	0.2980	2.0962	0.7753	1.0661	0.4865	0.2182	0.4226	1.9279	1.5801	1.5885	1.1277	2.0520	3.5615	0.6132	0.3100	1.5861	0.6594	0.4089	0.4534	0.5105	0.6187	0.9029	1.8848	0.2271	0.8624	0.6010	0.3702	0.2314	0.6759	0.1969	0.0018	0.6351	0.1770	0.3530	0.1950
alpha-carboxydimethyloctylhydroxychroman	1.0653	1.5899	0.4771	1.4793	0.5291	0.4144	0.3668	0.4717	0.2465	0.5875	0.9048	0.4979	0.4686	0.8593	3.2233	0.3723	1.2079	1.9840	1.4867	0.7092	1.1712	2.1431	1.9088	0.2099	2.6721	1.3845	0.8934	0.6707	1.0087	1.0225	0.9080	1.8408	0.7394	0.5994	0.8104	1.0399	0.1744	0.9457	0.1749	0.4591	1.6533	6.3415	0.7098	1.4626	4.0984	2.7209	0.1972	0.2385	0.5035	0.6308	1.5499	0.8634	0.3427	0.4729	0.8104	0.9625	1.4859	1.8374	0.0724	0.2167	1.6931	0.3709	0.4523	0.5161	0.2845	0.2852	0.5032	0.5877	0.8343	1.0914	0.7150	0.6868	0.5969	0.5463	2.4696	2.7094	1.4759	1.0480	0.9100	2.6699	0.7008	1.5782	0.7143	0.8515	1.3504	0.5129	0.5887	2.0382	1.3530	1.2207	1.6547	1.7218	0.8492	1.6948	0.9465	2.8433	0.6998	2.4191	0.8116	1.5027	1.3238	0.1598	0.4733	0.9559	0.2119	2.4175	0.9292	0.9441	1.5614	0.7698	0.8206	0.5407	0.6022	1.4484	1.9836	0.4678	1.9683	1.0115	2.2649	0.4744	0.1617	0.8047	0.7768	1.3035	0.3494	0.2907	0.1932	0.6497	0.4348	1.5048	2.3873	0.3573	0.7526	1.7151	0.5554	0.8918	1.1064	0.6195	3.5189	0.3529	1.7725	2.0630	1.2725	0.0440	0.8465	1.0779	0.6796	0.8767
alpha-N-Phenylacetyl-L-glutamine	0.4004	1.0609	0.4106	1.7665	1.0012	1.2093	0.6202	1.2305	0.3026	0.3742	0.8138	0.3498	0.9755	0.3265	0.8589	0.2011	1.0058	2.8490	1.0742	0.5524	1.1347	1.6542	2.2836	0.1025	0.5093	0.7556	0.6458	0.6015	1.2916	0.7896	1.2359	2.3037	0.5848	1.2346	1.7046	0.6935	1.3628	1.2496	0.7866	0.8335	2.9286	5.0637	1.1976	2.0468	1.1249	1.6138	1.1376	1.1242	0.3867	0.4549	0.9624	2.5195	0.0783	1.2655	2.3029	3.9061	0.5983	3.5490	0.4688	0.7595	1.4899	0.9819	0.5234	0.2789	0.5251	0.6056	0.3325	0.9191	0.7607	0.9807	0.7286	1.1501	0.6087	1.4817	0.9125	1.4916	1.7501	1.6884	0.6816	1.1464	0.5616	1.3141	0.2848	0.3443	1.3625	2.4441	0.8243	0.7339	1.3287	1.1129	0.3565	2.4536	0.7441	0.8539	0.2365	1.2156	0.5952	1.3821	0.6415	0.6348	1.4311	0.4671	1.6781	1.7766	1.5634	1.0012	2.2165	0.9979	1.4298	1.8561	2.0169	1.3055	1.4662	1.3792	2.2060	0.8091	2.0042	2.4600	1.7936	0.5891	1.6054	0.2220	0.8770	0.9920	1.1747	1.1903	0.0766	0.2154	0.0559	1.6432	0.6756	0.5136	0.6756	0.7033	0.6491	0.6764	0.8422	1.0460	1.4628	0.9568	0.8620	1.0782	0.5936	0.0015	0.1363	1.9340	0.5627	1.1673
Ambrettolic acid	0.7707	0.6616	0.8785	0.7166	1.1089	0.9595	0.6440	0.9288	0.6930	0.7300	0.5527	1.0195	0.7293	1.0437	1.2976	1.0582	0.6783	1.1576	0.5866	0.3144	0.5257	0.7224	0.6439	0.6865	0.9193	0.8926	0.9783	1.7508	1.1992	0.5227	0.4092	0.3450	1.1000	1.4468	0.9583	0.7082	0.9985	0.8475	1.0161	0.5764	1.2557	2.8242	0.9229	0.9503	1.2949	0.7091	1.0118	0.5053	0.4751	0.7620	0.2932	1.0847	0.6014	0.9085	1.1345	0.8327	1.2339	0.6320	1.0534	1.0194	0.7033	0.7265	1.1494	0.8510	0.7659	1.0724	0.4421	1.1953	0.4970	0.7569	0.9546	0.6554	0.9507	0.7562	1.4617	0.8929	0.3666	0.8838	0.4084	0.8843	0.7191	0.6651	1.0288	1.4832	0.9086	1.3080	1.0480	0.8002	0.1319	0.8902	0.8356	0.4500	1.2456	1.4100	0.5982	0.4042	1.8649	0.8811	0.6678	0.9215	0.9504	1.0221	1.0481	0.7346	0.2416	0.9013	1.0689	1.2945	0.5644	0.8614	1.0076	0.9939	0.6087	0.6646	0.7893	1.0204	1.2087	1.0429	0.8741	1.1849	1.5670	0.1129	0.8176	0.7343	0.2884	1.4665	0.9328	2.3371	0.7876	1.4820	1.1481	1.9646	1.8624	0.8851	0.5227	1.4469	0.7861	0.8937	1.5936	1.0691	0.9282	0.7037	2.6433	0.0259	0.6884	0.8951	1.8960	1.2601
AminoDHQ	1.2662	0.9121	1.0709	0.6304	0.7000	0.9870	0.6105	0.6198	0.6198	0.5862	0.5995	0.6151	0.9474	0.5867	1.1080	1.2182	0.7856	2.0599	1.0278	1.6014	1.1727	0.3526	0.4511	0.7244	0.9694	0.5955	0.8620	0.9939	0.8074	1.2915	0.5907	1.1400	0.9065	1.3100	1.7823	0.9556	1.0611	1.0566	1.3420	0.8754	1.1693	1.2945	0.5928	0.6937	0.4980	0.5868	1.1623	1.3438	0.8406	0.7897	1.1305	0.9752	0.4265	0.5143	1.7482	1.5481	0.7700	0.6742	1.3445	0.7553	0.4892	2.2953	0.5551	0.4832	0.6232	0.7750	0.7592	0.6176	9.7434	6.9685	0.5444	0.6489	1.0598	0.2469	1.0494	1.1563	0.7147	0.8661	0.5259	0.7940	0.6623	1.9337	0.9144	2.4945	0.7801	1.0053	0.8924	0.8003	0.9610	1.3309	1.0800	1.0011	1.0372	0.7055	1.0988	1.9506	1.3099	0.7466	0.8557	0.9828	0.7157	1.5332	0.9551	1.2696	1.8593	0.9789	1.1178	1.0804	0.9097	0.7949	0.5133	0.5886	0.3979	0.6877	1.0313	0.9710	1.0300	2.0935	0.9523	0.2473	1.4672	1.1311	0.7046	0.5408	0.9772	1.1022	0.8211	0.5557	0.4921	1.3646	0.8839	0.8001	0.9394	0.8001	0.4010	1.3125	0.8545	1.0288	0.7961	1.1174	1.0813	0.8893	0.6082	0.2046	0.5857	1.0600	1.0127	1.3607
Anhydroecgonine Methyl Ester	2.3392	0.4669	1.8187	0.2091	0.4517	1.2789	0.9417	1.2143	0.4141	0.7964	0.4789	0.4529	0.2740	0.5378	0.5274	0.5137	0.2096	0.8324	0.5561	0.5465	1.0810	1.7727	2.0181	0.2779	1.2041	0.9691	0.4820	1.3685	0.8506	0.5469	1.0501	0.6847	0.4150	1.1342	0.7821	0.2693	0.9420	0.3300	0.5346	0.3769	2.5462	2.1315	2.0766	2.9591	0.7809	1.6741	1.0103	0.9797	1.1278	0.8684	1.7326	1.7057	0.3903	0.7960	0.5061	0.9170	0.8573	0.2543	0.6314	0.7223	0.6427	0.4382	1.8755	0.2898	1.4289	0.8812	2.1162	4.1221	0.1599	0.2701	1.6711	1.0440	0.4477	0.3580	0.7996	2.0043	1.5770	1.2584	0.7920	1.7755	1.3886	1.2510	1.5723	0.9740	0.6996	0.2201	0.1920	0.9992	0.3012	1.1619	1.5157	0.9200	1.2667	0.9973	0.9989	1.0991	0.6770	0.7917	0.3676	1.4213	2.4343	1.5501	0.6676	0.8683	1.9320	0.8084	1.3864	0.5313	0.6104	2.3468	0.8107	0.2512	0.1626	0.7511	2.4439	1.0239	1.5686	1.4402	1.0335	0.5835	1.3758	0.5331	2.9842	1.6717	0.1949	6.3106	0.2980	1.3764	0.3056	1.9652	1.1315	0.6593	1.3947	1.0631	0.5898	1.1848	0.6496	0.1305	1.0797	1.0621	1.5163	1.8896	1.1297	0.0153	0.5249	2.8167	0.8538	1.1442
Anisole	0.8121	1.1215	0.8385	1.8952	1.0729	0.5654	0.7873	0.9895	0.1537	0.3735	1.5573	0.0877	0.4851	0.3495	0.8077	0.0957	0.6053	1.8371	1.8080	0.1491	1.3757	2.0426	1.4541	0.0224	0.6065	0.9260	0.1517	0.7414	0.6574	0.9025	1.4333	2.6980	0.1820	1.4984	1.8002	1.0100	0.3219	0.8872	0.2480	1.0616	2.8394	3.9721	1.3936	1.7323	1.7866	2.1722	0.4246	0.7559	0.1020	0.2209	0.9433	1.6415	0.1053	0.6449	0.3557	0.9913	0.5774	3.0900	0.1734	0.0791	2.0012	0.9689	0.5001	0.0822	0.5903	0.0107	0.3541	1.0722	0.4752	0.8846	1.3647	1.7508	0.5950	0.8679	1.5542	2.1969	1.5113	1.6521	0.7949	0.7385	1.1508	1.7201	0.3358	0.2174	1.8844	1.9622	0.0872	1.0512	1.8796	1.2283	0.2759	1.3598	1.2259	1.2321	0.7044	1.4528	0.8054	1.4801	0.9498	0.5891	1.5378	0.1381	1.2046	1.3064	1.0123	1.2911	2.3723	1.6680	1.7310	2.5004	1.4856	1.6591	1.2686	1.7891	2.7166	0.7884	1.8860	1.2248	1.4216	0.5768	0.7030	0.4778	1.5130	1.9151	2.0607	1.5380	0.0073	0.2416	0.0069	2.2429	0.8800	1.0435	1.0430	0.5184	0.7877	0.9558	1.5129	0.8246	1.2631	1.3834	1.6989	1.0198	0.8554	0.0038	0.2423	1.8639	0.7993	0.9120
Ascorbic acid-2-sulfate	0.6124	0.7472	1.1342	1.8944	0.8431	1.4256	0.3850	0.5104	0.7575	1.1564	1.4498	0.7310	0.8590	0.3966	0.5896	0.5554	1.4103	3.6003	3.2155	0.6934	0.9411	0.3585	0.8346	0.9426	0.9826	0.6752	0.6223	1.0648	1.5512	0.6108	1.2420	0.6982	0.8218	0.7720	1.9498	1.2622	1.2621	2.1096	1.9047	2.2741	3.2485	3.2862	1.5100	1.7082	1.1414	1.6216	0.8013	0.7217	0.8120	1.0428	0.6378	2.4275	0.5644	0.8756	1.7552	1.7241	0.5813	0.4421	1.5872	1.8302	1.1063	1.0529	0.8037	0.8272	1.7613	1.9527	0.8113	0.9428	1.1364	0.8629	0.5766	0.7512	1.5724	2.0809	1.4075	1.0768	0.6897	1.4026	0.3846	0.5445	0.5832	1.4237	0.1716	1.0631	0.3044	1.2320	0.3909	0.5507	0.7156	0.5134	0.6016	0.8204	0.7610	0.9764	0.8327	1.0495	0.4227	0.6951	0.4035	0.2219	0.5386	1.3022	1.1172	0.4624	1.2473	0.8643	1.2269	0.3147	1.1312	0.8301	1.0862	0.6164	1.2152	0.9897	1.1118	0.7198	0.7988	1.1994	1.1464	0.6196	0.8327	1.2215	0.7936	0.8997	1.9080	0.8156	0.7098	1.2080	0.5791	1.6871	0.5913	1.6444	0.3364	1.0097	1.1483	0.2431	0.4298	0.9951	0.7453	0.7510	0.5816	0.7070	0.8340	0.0105	0.9515	1.3906	1.1618	0.7264
Benzocaine	1.1132	0.9059	1.1127	0.6296	0.9849	1.0532	1.0844	0.6202	0.9699	0.8451	0.9567	0.9304	0.7532	0.9877	0.7878	1.1867	0.7975	0.9942	0.9484	1.1530	1.0879	1.1435	0.9661	1.0220	0.9009	0.8617	1.0944	1.2443	1.0108	1.5890	1.0311	0.9006	0.8424	0.5842	1.1905	0.7555	1.1466	0.7828	1.1051	1.1084	1.3080	1.1546	1.0585	0.9429	1.2187	0.7589	0.9376	0.8599	1.3284	0.9762	1.3843	0.9930	1.0388	0.8398	1.3623	1.2662	0.9891	0.7669	1.7602	1.0519	1.1974	0.7727	0.9564	0.7931	1.0023	0.9808	1.1372	0.9438	1.0368	1.0266	0.9669	0.9098	1.2645	0.7392	0.9190	1.1359	1.1547	0.9404	1.1713	1.0658	1.0477	1.0007	1.0893	1.3659	0.8806	0.7398	0.9434	1.3772	1.0527	1.1335	1.1656	1.0879	1.0966	1.0404	0.9935	0.9882	1.0438	0.9086	1.1127	1.1362	1.0820	1.1207	1.0109	1.1121	0.9936	1.5689	1.2327	1.0895	0.9222	0.8869	0.8608	0.9399	0.5196	0.9247	1.2936	1.1992	1.2199	1.0279	1.1862	1.2889	1.2126	1.4292	1.0754	1.1267	1.2915	1.0863	0.9738	0.9218	0.9686	1.1742	0.9699	1.0444	1.0393	1.2182	1.2204	1.3199	1.1731	1.1737	1.2861	1.2050	1.0125	1.0089	1.0040	0.0003	1.0750	1.1409	1.0945	0.9820
Beta-Alanine	1.3620	0.8189	1.2262	0.6970	1.0323	0.8135	0.8116	0.7470	0.8246	0.7293	1.0216	1.0528	1.0122	1.0298	0.7296	1.2280	0.8268	1.6270	1.0370	1.5183	1.9445	0.9473	0.8589	0.8126	0.7288	0.8619	0.8680	1.0513	0.7577	1.6598	1.0696	0.8227	1.0059	0.7593	1.3913	0.9961	1.1236	0.9713	1.5943	1.1900	1.2216	1.2533	0.9547	0.8281	0.9508	0.7134	1.2641	1.1019	1.1612	1.4316	1.0390	0.8935	1.1882	0.9359	1.2645	1.3526	0.7383	0.7196	1.5950	0.9782	1.0016	0.7940	1.2183	0.9293	0.8642	0.9379	0.8872	1.0296	1.0511	0.8973	0.9631	1.0797	1.3086	0.7628	0.7641	0.9001	0.8626	1.2240	0.8899	0.9825	0.8757	1.5267	1.2697	0.8608	0.9983	0.8110	1.3696	1.0390	0.9715	1.3139	1.0093	0.9366	0.8585	0.6858	1.0303	0.8424	1.0551	0.7038	0.9590	0.8847	0.7753	0.8833	1.0656	1.0908	1.1514	1.4801	1.3161	0.9720	0.9418	0.9036	0.9357	0.6514	0.7791	0.9054	1.2583	0.7559	0.9280	0.9825	1.1537	0.6489	0.7626	1.5847	0.8723	0.8841	0.8766	1.1857	1.1342	0.8232	0.8978	1.1351	1.2061	0.8587	0.8739	1.1066	0.5958	1.0172	1.4649	0.8511	0.9250	1.0309	0.8674	1.0135	0.9021	0.0035	0.9510	0.8335	1.3603	1.0202
bisphenol F	0.0781	0.0410	0.0529	0.0498	0.0480	0.4092	0.0407	0.0416	0.0441	0.0430	0.0432	0.0448	0.0469	0.0480	0.0554	8.1809	0.0498	0.0464	0.0379	0.0611	0.0716	0.0632	0.0525	0.0499	0.0838	0.0550	0.0501	0.0486	0.0485	0.0447	0.0395	0.0478	0.0423	0.0447	0.0703	0.0409	0.0578	0.0384	0.0528	7.0839	0.0459	0.0441	0.0365	0.0529	0.0443	0.0375	0.0554	0.0422	0.0425	0.0432	0.0447	0.0374	0.0427	0.0455	0.0614	0.0524	0.0491	0.0380	0.0914	0.0396	0.0421	0.0666	0.0516	0.0598	0.0411	0.0447	0.0398	0.0497	0.0405	0.0472	0.0448	0.0528	0.0560	0.0455	0.0518	0.0706	0.0434	0.0986	0.0431	0.0834	0.5656	0.0670	0.0815	0.0748	0.0728	0.0530	0.0890	0.0780	0.0506	0.0577	0.0446	0.0398	0.0762	0.0760	0.0596	0.0605	0.0588	0.0525	0.1075	0.0810	0.0536	0.0930	0.0567	0.0636	0.0588	24.6633	0.0894	0.0773	0.0603	0.0510	0.0660	0.0529	0.0554	0.0424	0.0647	0.0859	80.8963	0.0774	0.0439	0.0659	0.0840	0.0753	0.0644	0.0497	0.0400	0.1112	0.0470	0.0547	0.0417	0.0716	0.0733	0.0531	0.0950	0.0466	0.0610	0.0881	0.0635	0.0673	0.0637	0.0611	0.0623	0.0922	0.0711	0.0327	0.1021	0.0635	2.1496	1.4399
(+)-Bornane-2_5-dione	1.1593	1.0727	0.7832	1.2954	1.0931	0.8675	0.7956	2.1158	0.9375	1.1018	0.5632	0.7547	0.9979	1.1934	3.0138	0.7739	0.7800	0.8579	1.5883	0.8136	0.7079	1.1258	0.9537	1.4236	1.4884	1.3485	1.2286	0.7551	0.8802	1.2924	1.6751	0.5805	3.0377	1.0075	0.9628	1.1204	1.1514	1.2418	1.6315	0.4129	0.3382	0.4776	0.3958	0.4999	1.3299	2.6944	0.8031	0.5472	0.8054	0.6414	0.8732	0.2367	1.1613	1.3352	0.9031	0.6140	1.8997	1.0345	0.3201	0.8074	1.8940	1.2966	0.5856	1.2859	0.2392	0.4454	0.9845	0.6994	1.0388	0.9022	0.8926	1.0208	0.5539	0.6443	1.0084	0.3928	0.7791	1.4422	0.9963	1.3271	1.5737	1.9591	1.3593	0.6132	1.2013	1.2399	0.9572	0.6311	0.5308	0.5087	0.8552	0.8635	1.5907	1.8059	1.4353	1.3907	1.4233	1.1859	1.2078	1.5686	1.2660	1.0789	0.7033	2.6128	1.2016	0.4858	0.6662	1.0233	1.2455	0.5282	0.9328	1.9721	0.8727	0.8379	0.8160	2.7658	0.9438	0.4430	0.9603	0.8362	0.8410	0.7408	0.6464	0.8859	0.4659	0.2982	2.2410	1.4874	0.8661	1.1548	0.7498	1.0479	1.8381	1.2040	0.4715	1.3589	0.6614	2.1438	1.8141	1.4452	0.8283	0.9042	0.8144	0.0014	0.8114	3.3351	0.8441	0.6146
Bufexamac	1.5005	0.5368	2.1247	1.0332	1.2707	1.1758	0.9056	0.8746	1.0777	0.7508	1.3084	1.9042	0.6621	0.8503	0.9028	1.5856	0.3555	0.8190	1.4141	0.8693	0.5371	2.1858	0.9545	0.7338	0.5982	0.6321	1.2709	0.6716	0.5089	1.0874	1.3185	0.6931	1.1417	0.5824	1.8551	0.8407	1.4095	1.1852	2.5190	0.7926	1.4877	1.5664	0.5544	0.3612	1.8063	1.6810	1.0279	1.1845	2.1648	0.7409	1.4042	0.7389	2.3426	1.0255	1.6189	2.2704	0.4079	0.4022	0.9145	1.4973	1.3639	0.6078	0.8733	1.2356	0.3110	0.1619	0.9878	2.1820	0.8087	0.4693	1.7612	1.1025	1.1453	0.4505	0.9053	0.7148	0.9045	1.2500	0.4708	1.0040	1.1124	1.3885	1.0400	0.6770	2.0543	0.5855	0.3722	0.8855	0.3267	0.8197	1.0982	0.5855	0.7311	1.2422	1.6511	0.7700	1.2375	0.6233	0.3524	0.5922	0.5845	1.7307	0.7707	1.2823	0.7368	0.8201	0.5533	1.2915	1.0897	0.9136	0.4875	0.6937	1.2569	1.3573	1.5978	1.0203	1.1528	0.7162	2.0060	1.5173	0.8932	0.9519	0.4799	1.8686	1.2218	0.5633	1.2741	0.9745	0.4268	0.9816	0.9692	2.7759	1.0179	1.2125	0.4515	1.3913	1.1832	0.4234	1.3779	1.9944	2.4089	1.3912	0.9374	0.0726	0.4843	0.8992	0.9375	0.6647
Butylbutyrate	0.8953	0.4618	1.0204	0.6153	0.4262	0.5419	0.6396	0.8612	0.4762	0.3631	0.4119	0.4214	0.7166	0.6941	0.8365	0.4196	0.3783	0.2954	0.3427	0.7955	0.4706	0.4442	0.3542	0.3331	0.4507	0.3844	0.5573	0.5064	0.5529	0.5021	0.3210	0.5378	0.8990	1.0847	0.4686	0.6401	0.7448	0.6331	0.5208	0.2998	0.3752	1.0820	0.4154	0.5973	0.4337	0.5739	0.7848	0.5735	0.5600	0.3386	0.7429	0.5171	0.3522	0.3985	0.4684	0.4595	0.4504	0.3694	26.5079	0.6027	0.3452	0.3304	0.6347	1.3674	0.4793	0.5011	0.4720	0.4715	0.5860	0.5074	0.7054	0.8037	0.5270	0.3990	0.5235	0.5299	0.4136	0.0526	0.4673	0.6236	0.6629	1.1115	0.5557	0.8462	0.5370	0.5759	1.3261	0.4832	0.5873	0.5117	0.6925	0.4183	0.6813	0.8175	0.4837	0.6100	1.4055	0.8680	0.8116	1.1861	0.8503	4.2572	0.6774	0.5971	0.6299	0.5424	0.9073	0.9242	0.7551	0.4912	1.2089	0.5587	0.2782	0.3588	0.4747	0.6602	0.5295	0.5568	0.4148	0.5772	1.8154	0.4582	0.7138	0.5344	0.2981	0.6271	0.5363	0.7628	0.6220	1.2208	1.2563	0.9477	1.0702	0.5394	0.4599	0.7860	0.4040	0.5422	0.9071	0.7377	0.8097	0.4525	0.6897	0.2338	0.4540	0.9089	2.0088	7.0106
carbapenem MM22383	16.1318	0.4671	0.1561	0.1364	9.9990	2.0020	0.1370	0.2350	0.1391	0.1198	0.2888	0.1373	0.1290	0.1636	0.2612	0.4671	0.1324	0.1925	0.1355	0.1667	0.1320	0.1228	0.1257	0.1274	0.1349	0.1519	0.1285	0.1362	0.1408	0.1233	0.1626	0.1472	0.1149	0.1322	0.1916	0.1463	0.1413	0.2113	0.1446	0.1869	0.1423	14.9101	0.1349	0.1698	0.1356	0.1437	16.0104	11.5783	0.1375	0.2698	0.1312	0.1314	0.1300	0.1466	0.1534	0.1515	0.1502	0.1282	7.4195	1.5076	0.1411	0.1463	0.2824	0.1315	0.1337	0.1436	0.1455	0.1250	0.2022	0.1425	0.1371	0.1223	0.1319	0.1343	0.1283	6.0540	0.1337	0.1395	0.1412	0.1311	0.2271	7.7559	0.1705	0.1608	0.3698	0.2295	0.3452	0.1541	0.3150	0.1524	0.7916	0.1477	0.1920	0.1814	0.1328	0.1661	0.1345	0.1510	6.4021	0.1366	0.1383	3.5941	0.1293	0.1641	0.1219	3.4420	0.1674	0.2322	0.1263	0.1400	0.1334	0.1402	0.1360	0.1226	0.1595	0.1636	0.1376	0.2212	0.1350	0.1889	0.1941	0.1521	0.1381	0.1305	0.1264	20.8576	0.1423	0.1386	1.4520	0.2431	0.1318	0.1654	0.1362	0.8301	0.1858	0.2742	0.1460	0.1993	0.1851	0.1651	10.1639	0.1749	0.1359	0.0981	0.2042	0.1401	0.4598	1.9455
Catechol;1_2-Dihydroxybenzene	2.1899	1.2040	2.0364	0.3872	0.6263	2.1321	0.2125	0.3340	0.2420	0.1759	1.5682	0.2619	0.6844	0.1811	0.7834	0.7204	0.2566	1.5184	0.8545	1.0269	1.5218	0.1019	1.8445	2.3112	2.4129	0.0708	0.2907	0.2969	5.7257	1.4594	1.9513	0.4854	0.2776	1.7899	0.3847	0.8753	0.7171	1.0949	1.8652	1.1259	0.7843	0.3128	0.9487	1.2956	0.6936	0.7592	1.5284	1.5485	0.1296	0.8009	0.4999	1.4510	0.6831	0.4780	0.6625	0.5700	1.1255	0.1247	0.1100	1.6163	0.7808	0.7485	1.8114	0.1844	1.5501	2.0668	2.9389	0.7412	1.5726	0.8110	1.6325	0.5204	5.8575	0.9293	0.1991	0.6653	0.8985	0.4659	0.8252	1.5210	1.9664	1.6002	0.7230	1.7915	0.2565	0.3528	0.5368	1.0239	0.9231	0.6612	0.4603	0.5499	0.7729	0.6787	0.7489	0.4315	0.2493	0.1873	0.4451	1.0612	1.5267	0.3665	0.3641	0.0652	0.6913	0.5736	1.4821	0.6406	0.2499	0.6239	1.7228	0.2022	0.2591	0.6232	0.7809	2.2839	1.1874	2.4205	0.2475	0.6188	1.7269	2.8653	1.5274	1.0163	0.1706	0.0973	0.3651	1.3306	0.6429	1.3630	0.5190	1.0368	0.3603	2.4542	0.6154	1.4987	0.9909	2.0206	0.9482	0.8532	0.9945	0.6712	0.7593	0.0307	2.1315	2.1426	1.2358	1.3626
cholesterol sulfate	0.6430	0.8171	0.8115	1.3384	1.7670	1.4851	0.6671	0.4037	0.8798	0.5085	1.0148	1.2657	0.9069	1.0450	0.3529	0.9063	0.4535	2.0435	1.5377	0.6596	1.5239	1.0078	1.1040	1.2477	0.6718	1.3090	0.9365	1.4708	1.0476	1.7621	1.8630	0.5509	1.1164	1.1462	1.8653	2.3026	1.4206	1.7530	1.3674	2.1017	1.1302	1.7070	1.6035	1.4268	0.9785	0.9825	0.8158	0.8639	0.9203	1.0119	0.9225	1.0402	1.2645	1.2756	1.0313	0.9583	1.0151	1.2687	0.7697	1.7298	1.2609	0.9403	2.0636	1.9510	1.0168	1.0704	1.7743	1.9377	1.5799	1.0942	0.8899	1.0468	1.6724	1.5309	2.4730	1.0921	1.0943	1.4408	1.1776	0.7858	0.5972	0.2268	0.7047	0.6226	0.4316	0.8015	0.2227	1.0905	0.8481	0.4728	0.8414	1.1053	0.2933	0.2152	0.2147	0.5001	0.8475	1.1606	0.0965	0.2396	0.6229	0.2383	0.6108	0.1178	0.9814	0.8028	0.5768	0.2272	0.9549	0.9310	0.3516	0.7377	0.7891	0.9157	0.5936	0.2715	0.8063	0.5591	1.0365	0.6577	1.2841	0.5330	0.4225	0.8718	1.8867	0.4282	1.4116	1.0622	0.8706	0.2461	0.4674	1.1695	0.5248	0.6649	0.7518	0.4696	0.2876	0.6831	0.8453	0.2328	0.9742	0.2118	0.6521	0.0320	0.4705	0.6181	1.6851	0.9791
cis-Aconiticacid	1.0183	1.4867	0.8723	1.2236	0.7303	0.8788	0.5394	0.8907	0.8995	1.2399	0.8023	0.7596	2.0840	0.4650	1.2506	0.6567	1.8490	1.7018	1.2023	0.6204	0.9460	0.2816	0.5253	0.9599	1.2189	0.3826	0.5652	0.9483	0.9603	0.9704	1.0783	1.7337	1.0717	0.9474	0.8178	0.9927	0.8847	1.3430	1.6522	0.9882	1.0428	1.2441	0.8489	1.0466	0.7683	1.1278	1.0386	1.3496	0.8865	0.7255	0.6115	1.0719	0.3526	0.8168	1.6387	1.4618	0.9885	1.1037	0.5333	0.6580	0.6418	1.2960	0.5395	0.9390	1.0049	0.9606	0.6808	0.7006	0.7752	0.9957	0.5128	0.7330	0.7560	0.8940	0.8440	0.6308	0.5883	1.4548	0.6888	0.8958	0.6783	1.4762	0.7970	1.1494	0.6126	1.5045	1.1280	0.6312	1.2094	0.3376	0.7066	0.9650	1.1438	0.5189	0.7734	3.4133	0.8330	0.7304	1.0541	1.0099	1.2429	1.4622	1.3110	1.2136	1.5129	1.0268	0.9423	0.9012	1.0754	1.0388	1.1172	0.8594	0.7672	0.6060	1.1299	1.2464	1.3235	1.5981	0.9766	0.6367	1.4503	1.7057	0.7985	0.8979	0.5455	1.3393	0.8601	0.6365	0.5779	2.4388	1.0448	1.1343	0.7530	1.3254	0.9795	1.1365	1.1225	1.5756	1.7293	1.0276	0.8308	1.0860	0.9247	0.0040	1.1274	1.2708	1.3007	1.3427
Clozapine N-Oxide	0.4272	0.5232	0.5009	0.6729	1.0924	0.6681	2.6208	0.3235	0.4975	0.3176	0.9500	0.9071	0.5362	0.7989	0.3903	2.9632	0.5230	0.3358	1.4671	1.2095	0.6099	1.1182	0.5551	0.8277	0.5190	0.6062	0.6306	0.7723	1.5261	2.0029	1.2270	0.3963	0.4921	0.2602	1.5429	0.4985	1.6857	3.9949	0.5608	1.7337	1.2678	1.1161	4.6871	0.9266	0.9695	0.4912	1.3145	0.6880	1.3256	1.7555	0.3219	1.4633	3.5787	1.0530	0.5738	2.1959	0.4427	0.3691	1.9975	0.8712	1.3998	0.3825	6.1819	0.9816	2.9739	1.3590	3.9244	0.9804	6.2230	0.8261	0.8844	0.5149	4.2706	1.4668	0.4814	2.3323	1.0550	2.0338	0.8123	0.4381	0.2999	0.3792	0.6679	2.7180	1.2701	0.2848	0.4570	1.2598	0.2886	2.6499	0.4760	1.3580	0.5439	0.3566	0.3383	0.4940	0.3477	0.6926	0.3317	0.4399	0.3420	0.5270	0.6539	0.3380	0.3652	0.5867	0.3808	0.3325	0.3122	1.4794	0.4781	0.3603	0.3594	0.4441	0.5885	0.4490	0.3244	0.8880	0.6780	0.3455	0.6892	0.6135	0.5366	0.9230	8.0140	0.4148	0.3961	0.3302	1.4056	0.3566	1.6274	0.5423	0.4877	0.5229	0.5840	0.5426	0.4299	3.6440	0.8093	1.5432	0.3058	0.8333	0.3709	0.2050	0.7886	1.1051	0.5974	1.3099
Confluenine A	0.1564	0.1934	0.1457	0.1878	0.1680	0.1838	0.1360	0.1498	0.5845	2.9340	0.1831	0.8241	0.1455	0.1828	0.3324	0.2589	0.1517	0.2383	0.1662	0.9506	2.3911	1.4977	0.1440	0.1589	0.1727	0.2524	2.9348	3.4272	1.3413	1.0703	0.2040	0.2015	1.4481	0.1581	1.6096	0.9774	0.4984	0.1479	0.2167	0.1698	0.2453	0.4003	0.2521	0.2501	0.1864	0.1555	1.8389	0.9732	0.4504	0.1203	0.1528	0.1503	0.3284	0.2109	0.2153	0.1754	1.4761	0.3151	0.1670	0.1509	0.9662	1.0199	0.1329	0.1310	0.2069	0.1754	1.3223	0.6430	0.6201	0.5718	0.1515	0.1319	0.1692	0.1343	0.1390	0.1371	0.3097	0.1748	0.9557	0.1489	0.1367	0.2161	0.6537	0.1519	0.4520	0.1889	0.4214	0.9922	0.2171	0.1729	0.1499	0.1447	0.4632	0.1627	0.5263	0.1908	0.4916	0.1996	0.1264	0.1295	0.4218	0.2987	0.1464	0.1385	0.1043	0.6681	0.8966	0.3708	0.1556	0.1445	0.1648	0.2760	0.2202	0.1714	0.7107	0.1314	1.3118	0.6035	0.1305	0.1671	1.1113	0.1534	0.2272	0.9815	0.1798	0.1471	0.1969	0.1802	0.1518	0.3087	0.1525	0.1754	0.1544	0.4094	0.2284	0.1679	0.1303	0.2020	0.2101	0.9498	0.2140	0.4431	1.4353	0.1448	0.1245	0.1519	5.3640	0.8099
Cortisol	1.4833	1.7317	0.7719	0.6089	1.2045	1.3256	0.4954	0.7330	0.4090	1.7762	0.5209	1.2796	0.7883	0.4653	0.8840	1.2869	1.3812	0.7625	1.4651	0.9749	0.7060	0.7465	0.7625	0.6840	0.9316	1.2163	0.7213	1.4590	1.4622	0.8982	0.7435	0.8182	0.6927	0.4365	0.0446	0.8104	0.8924	1.4818	1.0064	1.8112	1.4056	0.5703	1.0547	1.5148	0.7336	0.8488	0.2355	0.8616	1.0497	0.8406	0.7778	0.5311	1.4443	0.6772	1.5046	1.5729	0.6284	0.5230	0.6113	0.4261	0.3504	0.9399	0.4531	0.6089	0.7899	0.7827	0.6106	0.8751	0.5426	0.5932	0.2285	0.5887	1.3676	1.5415	1.3717	1.4219	0.7196	1.4409	0.2623	0.9429	0.7811	0.6727	0.4696	2.2235	0.7440	0.4203	0.5446	1.5933	1.4846	0.6145	0.4973	1.4691	0.6111	0.6663	0.9682	1.4067	0.6250	0.6406	0.7428	0.4793	0.6408	1.4228	0.8581	0.5741	0.7298	1.3407	1.4457	0.3074	0.4759	1.3566	0.9833	1.4209	0.5606	0.5345	0.9778	1.2104	0.1599	1.4852	0.6174	1.7159	1.0469	1.0723	0.5573	3.0872	0.0860	0.5087	0.7521	1.6336	0.5198	1.6466	0.5757	0.6582	0.9372	1.9586	0.7463	1.8851	1.6437	0.8084	4.1671	1.5297	0.8706	2.8151	3.1174	0.0170	0.6882	0.8551	1.5405	0.7655
CP 47,497-C6-Homolog	0.5273	0.9282	0.7281	0.7800	0.5987	0.6382	0.5561	1.2008	0.7476	0.6400	1.0484	0.9579	0.8864	1.2015	1.8061	0.7687	1.0979	0.4664	0.5098	0.4270	0.6678	0.7281	0.6026	0.6754	0.8603	0.6835	0.9913	1.2025	0.8514	0.3987	0.5373	1.3241	1.2344	1.2455	1.0587	0.7536	0.7365	0.8707	0.6524	0.5044	0.3729	0.5087	0.7231	0.7936	0.6431	0.4692	0.7339	0.3825	0.8427	0.4934	0.7013	0.6987	0.6336	1.2031	0.7412	0.8403	1.1656	1.0649	1.3593	0.7635	0.4546	0.6242	0.7085	0.8723	0.6098	0.6484	0.8815	0.8049	0.5575	0.9437	0.6179	0.4395	0.9536	0.6412	0.7043	0.5142	0.5362	1.0614	0.5030	0.6459	0.7186	1.2117	1.1950	0.4974	1.2584	1.5409	1.3099	0.5744	0.5255	0.7606	0.7687	0.6370	1.0284	1.3095	0.7553	0.8576	1.2101	0.6784	0.8688	0.7417	1.2759	0.8095	1.0920	0.6711	0.5079	0.5623	0.6148	1.2737	1.1379	0.4597	0.8810	0.5687	0.8487	0.7403	0.8404	0.7541	1.5046	1.0560	0.6433	0.8103	0.5206	0.4876	0.6502	0.8580	0.4201	1.4495	1.1339	1.6580	1.3440	0.8212	1.2909	0.5149	1.2330	0.6673	0.5751	0.6884	0.8330	0.8026	0.9906	0.4731	0.4910	0.5197	1.4042	0.0002	0.7182	0.8752	2.7630	0.9225
Creatinine	0.8467	0.8041	1.0008	0.5557	0.8998	0.8209	0.8666	0.7979	0.7794	0.7786	1.1279	0.7931	0.6792	0.9053	0.7453	0.8902	1.0183	0.9195	0.8383	1.1397	0.7817	0.9316	0.7358	0.8133	0.9732	0.8285	0.7844	0.6975	0.7983	0.6329	0.5907	1.0803	0.5599	0.6422	1.4331	0.6284	0.8610	0.6200	1.5538	1.0886	0.9521	0.6518	0.8987	0.7873	1.0584	0.7063	0.9653	0.6440	1.6534	1.4240	0.9070	0.9621	1.1163	0.8352	1.2066	1.1926	0.8820	0.6629	0.8167	0.9152	0.5390	0.8290	0.6481	0.7435	0.8989	0.8584	0.7870	0.5328	0.5818	0.8116	0.8425	0.7201	1.5986	0.4869	0.7490	1.1874	0.7983	0.7212	0.7673	0.8009	1.7216	1.1698	2.0542	1.0166	1.9064	1.2458	1.4719	1.2238	1.4774	1.2886	1.1388	1.0192	1.0806	1.5429	1.4275	0.7761	1.1040	1.1501	0.8136	1.0482	0.7471	1.1979	0.7141	1.4302	0.6094	1.0907	1.2186	1.6550	1.0874	0.8247	1.3459	0.9190	0.6802	0.7608	0.5659	1.0120	1.1970	1.6740	1.2551	1.4266	0.7171	1.3595	1.1528	1.5095	1.0833	0.7692	1.1810	1.0399	0.9347	1.2309	1.1775	1.2750	1.9204	0.9357	1.7134	2.0155	1.6376	1.4232	1.4772	1.0238	1.2662	1.3317	0.8211	0.0320	0.9957	0.9174	1.3503	0.7204
cucujolide XI	0.4950	0.7794	1.2706	0.9442	1.1776	0.8597	0.6936	1.0553	1.1221	0.7270	1.3958	1.4940	0.6455	2.0227	1.1790	0.7936	0.5116	1.0029	0.7337	0.7018	0.7223	1.0749	0.6565	0.8496	0.7003	1.1646	1.2240	1.6218	0.9253	0.3875	0.4748	1.0452	1.7962	1.6713	1.0518	0.7321	1.2611	0.6917	0.9627	0.6473	0.5900	1.1637	0.7897	0.9235	1.6823	0.6926	1.1040	0.2991	0.8883	0.4428	1.4611	0.5635	1.1225	1.0594	0.8086	0.6894	1.6688	0.6356	2.0855	1.0680	0.9314	0.9705	1.3768	0.9260	0.6112	0.7606	0.8190	0.9414	0.9131	1.0362	0.9108	0.4713	0.9908	0.9169	0.9179	0.6044	0.8416	1.1441	0.4836	0.6963	0.7929	0.9373	1.5675	0.4509	0.9906	1.2782	0.7991	0.7535	0.3773	0.9406	0.8901	0.5323	1.5938	2.2238	1.1147	0.7211	2.4338	0.8566	1.4745	1.2684	1.2028	1.1014	0.7334	1.0126	0.6069	0.7833	0.8167	1.9470	1.0481	0.7815	0.9968	1.4076	0.7287	0.5845	0.8404	1.3427	1.3616	1.0255	1.1546	1.5091	0.7210	0.9094	0.9241	1.1102	0.2375	3.6451	2.2137	2.2117	1.6054	1.5491	1.1380	0.8873	1.2409	0.7519	0.4212	0.9664	0.4433	1.0605	1.8620	1.1368	0.7713	0.5569	1.9189	0.0003	0.5498	1.9228	1.2133	0.8498
Cysteine-S-sulfate	0.9282	0.6178	0.5498	1.0278	0.4938	1.2479	0.5495	0.4899	0.4544	0.7454	0.6436	0.6537	1.3568	0.6425	0.8742	1.0646	0.4237	1.6637	1.0856	0.5072	0.6140	0.6674	0.8099	1.1090	0.5378	0.4944	0.6280	1.0551	0.9234	1.7068	0.9881	0.8647	0.8891	0.9358	0.8517	0.7442	0.8421	1.1186	0.8782	0.7369	0.9434	2.1075	1.2846	1.2586	0.7368	0.6922	0.8015	0.8591	1.1403	0.9351	0.6503	0.7431	0.7489	1.0005	1.5529	1.6588	0.7074	0.9839	1.2750	0.8573	1.2829	0.7442	0.6828	0.6010	0.7537	1.3083	0.8939	0.7764	0.7597	1.0973	0.8477	0.9766	0.8824	1.0905	0.8475	1.4214	1.0764	1.0374	0.7668	0.8178	0.5837	0.7831	0.4640	4.9595	0.5721	0.6919	0.9220	0.5761	0.3687	0.8179	1.2731	0.8214	0.9755	0.8712	1.1230	1.1042	0.8486	0.8741	0.8104	0.7016	0.8096	0.9792	0.8090	0.7980	1.0007	1.1134	0.9006	0.6868	0.9173	0.9165	0.5929	1.1812	0.6824	0.6648	1.1460	0.8222	0.8738	1.2439	1.1311	0.5273	1.1117	1.1265	1.0985	0.7241	1.2022	3.7010	3.2786	2.3637	1.9791	5.0169	0.8888	2.6744	3.3747	3.1224	3.7699	3.4447	2.4134	1.7325	1.7839	2.9271	2.9977	3.4361	2.9341	0.0352	3.0755	2.0981	0.0755	0.4646
DA9185000	1.1345	0.8354	0.7604	0.9066	1.3163	0.9083	0.6663	0.5254	0.6794	1.5062	0.7487	1.1285	1.2991	0.8845	0.8663	1.0713	0.6444	1.5450	0.9544	1.0544	1.3212	1.0204	0.7781	0.6051	0.7919	0.7875	0.8604	1.0459	0.8325	1.2076	0.8030	0.7308	1.0655	0.7010	2.0948	0.9696	1.2444	1.0695	1.0470	0.7469	0.9581	1.4471	1.0510	0.9586	0.7967	0.7398	0.8890	0.7206	1.0533	1.2391	1.0715	0.6176	1.2983	0.8310	0.9365	1.1452	0.6946	0.8039	2.1010	0.9123	0.9269	1.2930	0.8851	1.0245	0.9836	1.3585	0.9780	0.9060	0.6724	0.8769	0.8205	1.2018	1.2260	0.9049	0.8288	1.0414	0.9884	0.8942	0.6872	0.7610	1.0364	0.7487	1.3531	0.8539	1.2028	0.9142	0.6429	1.0271	0.8745	0.8768	1.1610	0.9335	0.7599	1.1923	0.9545	0.8723	0.7585	1.0141	0.5231	0.9259	0.8468	0.9093	0.9764	0.5875	0.8298	0.9183	0.7770	0.7714	0.9077	0.9538	0.7668	1.5932	0.7292	0.7279	0.9274	0.9848	0.8642	0.9116	0.8452	0.5998	0.9051	1.9317	1.1166	0.9421	0.8641	0.7923	0.8713	0.6140	0.8856	0.6939	0.5901	0.5944	0.7506	0.6762	0.6356	0.8356	0.9588	0.6963	1.0227	1.0605	0.6087	0.7416	0.5948	0.0035	0.6998	0.6788	1.9216	1.0177
D-Arabinonate	0.7627	0.7681	1.1454	0.9632	0.5450	1.1315	0.8804	0.8872	0.9162	0.7694	1.0229	0.5343	1.0253	0.4045	0.8855	0.6668	1.0725	1.5220	0.9208	0.7682	0.4978	0.4027	0.4912	1.1642	1.1032	1.4889	0.5281	1.0888	0.5435	0.7056	0.8540	0.8829	1.0807	1.0844	2.9319	0.6636	0.6790	1.1492	1.6005	1.1462	1.8287	1.5607	1.2124	1.1878	1.4823	1.1216	1.9642	1.1988	0.9811	0.4501	0.7541	1.5549	0.5437	0.9394	0.9652	1.2318	0.4828	0.8602	1.1553	0.6029	1.0944	0.8303	1.0071	0.4592	0.9306	1.2421	1.1071	0.8056	0.5582	0.6170	0.8016	0.3870	1.6739	0.4539	1.2983	0.8187	0.6414	0.8084	0.4316	0.5604	1.2079	0.7384	1.9102	3.5530	0.9425	0.9364	1.0204	1.5523	1.0473	1.3037	0.8792	0.7954	1.1554	1.2471	1.1349	1.1114	0.8698	0.4724	1.5072	1.0070	0.9434	1.2496	1.1253	0.9607	1.3693	1.4125	1.3804	0.6051	0.5842	1.1768	1.4379	0.8484	0.9776	1.0566	0.8151	1.2400	0.6860	1.5653	0.7808	1.1517	2.3943	1.6498	1.0170	1.8098	0.9252	1.4266	0.5986	1.1812	0.8829	2.2654	0.9107	2.2428	0.9756	1.3903	0.9840	1.8152	0.8213	1.4290	0.8143	0.8173	1.3712	1.3785	1.4240	0.0768	1.3031	1.5242	0.8857	1.1958
D-Arabitol1	1.1374	0.9558	0.8623	0.5440	0.7488	0.9199	0.6140	0.6236	0.6876	0.8438	1.0509	0.7086	0.9383	0.6945	0.8558	1.8151	0.8203	1.3770	1.2603	1.0278	0.8508	0.7782	0.7809	0.7173	0.7194	0.7620	0.9013	0.9766	0.9839	1.2375	1.1473	1.2584	0.7779	0.8171	1.5163	0.6837	1.0640	0.8445	1.7493	1.2179	1.9168	1.7133	0.8361	1.1037	1.3761	0.8783	1.3018	1.3399	0.9990	0.9015	1.2024	1.1761	0.6811	0.6819	1.5139	1.5318	0.7569	0.7036	1.0673	0.8867	0.6918	1.6942	0.7764	0.8449	0.8424	1.1691	0.8367	0.9288	0.7013	0.8369	0.6702	0.7048	1.3668	0.5987	0.9082	1.3358	0.8245	0.9341	0.7345	0.8168	0.8685	0.9728	0.3256	5.5873	0.5817	0.7824	0.9249	0.7721	0.7792	1.0600	0.7871	0.6750	0.8480	0.9909	1.0293	1.0657	0.8478	0.7496	1.3617	0.6966	0.9972	1.1049	0.9531	0.9411	0.9509	1.2606	1.2277	0.9326	0.7932	1.0217	0.9801	0.8597	0.6827	0.7201	1.2597	1.1819	1.2299	3.1639	0.9617	0.9463	1.1316	1.3624	1.1146	1.0105	0.8726	0.9924	1.0902	0.8009	0.7012	1.3714	0.7733	1.6477	0.7316	1.1326	0.9381	1.5308	1.1025	1.0030	1.2688	1.3601	1.0945	1.4868	1.1946	0.0185	1.1690	1.1585	1.1110	1.2849
D-Arabitol2	0.4575	0.9001	0.9820	0.6317	1.5730	0.8417	0.5884	0.7413	0.6436	0.3652	1.5480	1.9281	0.9080	2.0235	1.3512	1.1540	0.8692	1.1127	0.7750	0.7304	1.2602	0.5387	0.5894	0.6305	0.7448	0.7519	0.8329	2.1790	1.6864	0.4817	0.4441	1.6285	1.4867	1.3094	1.3580	1.2856	1.4945	1.7565	0.9810	0.7511	0.7753	2.0809	0.6414	1.3269	1.2790	0.7371	1.1083	0.4088	1.0241	0.4757	1.6510	0.8421	0.6684	1.1386	0.6300	0.4403	1.6013	0.7536	4.1360	1.4726	0.7782	0.9600	1.5941	1.2810	0.6900	0.7925	0.6649	1.0944	0.6928	0.9431	0.8128	0.6730	1.1608	1.0162	1.1745	0.5482	0.9156	1.7192	0.4750	0.6833	0.4915	0.8326	1.0513	0.7962	0.5114	1.6099	0.7303	0.6896	0.4250	0.6344	0.8198	0.6776	0.9617	1.6802	0.8737	0.8278	1.3865	0.9421	0.9414	1.0632	1.4787	0.9675	1.6205	0.7495	0.7794	0.7303	1.1600	1.3365	1.0472	0.7383	0.7523	1.0591	1.0475	0.5144	0.6081	0.4764	1.2151	0.4424	0.5848	0.7677	1.3863	0.7016	0.4898	0.5686	0.3999	2.2193	1.5119	1.3753	0.6287	1.1652	0.9054	0.9113	0.9655	0.5882	0.3219	0.5797	0.4151	0.6036	1.5765	0.6223	0.5097	0.6906	2.2107	0.0277	0.5288	1.3408	1.5214	0.7437
D-Asparagine	1.1197	0.9334	0.9415	1.2201	1.2053	0.9987	1.0437	0.8293	1.0084	0.8177	1.2801	1.5263	1.4738	0.9290	0.9289	1.2505	1.2045	1.3751	1.4684	1.1829	1.8703	0.6549	1.0130	1.5874	0.6993	0.6353	0.7124	1.4977	1.1723	2.5546	1.9946	0.8769	0.8200	0.8244	0.8425	1.2890	1.1811	1.4853	1.3342	1.8195	1.4685	1.3125	1.8892	1.9176	1.4680	1.1620	0.9704	1.2583	1.2595	0.9515	1.1090	1.1532	1.7962	1.6642	1.6579	1.8554	1.4096	1.2067	1.3449	1.9569	1.7922	1.6515	1.4155	1.2993	1.2503	0.9577	1.2801	2.1428	2.2834	1.3895	1.8244	2.0838	1.3553	1.2276	1.5172	0.9707	1.6275	2.0336	1.2993	0.9794	0.9035	1.0761	0.6776	1.8398	0.5891	0.6192	0.9041	0.6683	0.8548	1.0745	0.6992	0.9451	0.6773	0.5788	0.8265	0.9023	1.1312	0.7007	1.1898	0.7951	0.9381	0.6107	0.6459	0.9912	1.1131	1.0881	0.9293	0.6470	0.8244	0.5869	0.7999	0.6794	0.9608	1.3797	1.4348	1.1219	1.1148	1.1071	1.6939	0.6146	0.5259	1.3126	0.9479	1.2848	1.7223	1.3182	1.0215	0.9133	1.0452	1.3814	1.3687	0.9430	1.4236	1.1660	1.0767	1.1425	1.2515	1.0497	0.8879	0.9456	0.8239	0.9407	1.1555	0.0015	1.2156	1.1047	0.0916	1.2250
D-Aspartate	1.6117	1.1006	0.6754	0.5163	0.6833	1.1666	0.9615	0.4253	1.0142	1.3690	0.7683	0.7429	0.7100	0.5602	0.6452	1.0852	0.3952	1.3907	0.8621	1.7270	0.8753	1.1226	0.6404	0.8174	0.6260	1.2802	1.2552	0.8553	0.9944	1.4096	0.8485	0.6854	0.7658	0.9120	1.0845	0.6425	0.9291	0.6919	0.8923	0.4618	1.4647	0.8457	1.0521	0.6351	1.1335	0.6878	1.0328	0.7405	1.1912	0.7600	1.1350	0.7839	1.1157	0.7212	1.1685	1.1263	0.8286	0.3149	4.7724	0.9652	1.5004	0.8719	0.8877	0.8208	0.8013	1.5788	1.0990	0.7051	1.9098	1.0550	1.0019	0.7162	1.0180	0.7499	1.7193	0.7056	1.5804	0.9207	0.9398	0.7159	0.7043	5.8634	1.9196	0.9039	1.0606	0.9233	0.7566	1.4659	0.6433	0.9809	1.6751	0.8521	1.0457	1.1697	1.2579	1.5847	0.8209	0.8321	0.9506	1.1652	0.8537	1.8740	1.2289	1.1741	1.2543	1.1459	1.1855	1.1730	1.0800	0.6308	0.5296	2.3100	0.7700	0.6156	1.6770	1.1794	0.6160	1.3141	1.0682	0.6797	1.3469	1.4015	1.1134	1.5131	0.7195	1.2370	1.1075	0.7229	0.9746	0.9554	0.5905	0.6402	1.0375	1.1256	0.6978	0.9914	0.8222	0.9750	1.8046	0.7067	0.6143	1.0363	0.9597	0.0088	0.6789	0.4985	0.9429	1.7395
Decanoicacid	0.7570	0.5278	0.7031	0.4796	0.8772	0.8796	0.6155	1.0569	0.4464	0.3470	0.6172	0.6547	0.5183	1.2255	0.9006	0.4386	0.4563	0.3903	0.3855	1.0174	0.5172	0.7478	0.4827	0.3974	0.5620	0.7500	1.1322	0.8890	0.7538	0.8208	0.2981	0.5643	1.4463	3.3004	0.9777	0.7542	1.0340	0.7568	0.5369	0.3379	0.5226	2.3493	0.6417	1.4187	0.5276	0.4092	1.1426	0.3725	0.6362	0.2899	0.9226	0.6587	0.4064	0.6264	0.6698	0.7267	0.6621	0.4295	2.5812	1.0543	0.3683	0.3399	1.0768	1.4489	0.9314	1.3125	0.6184	0.6232	0.5658	0.8934	0.8710	0.5805	0.9747	0.6598	0.6653	0.7686	0.4330	0.4989	0.6750	1.1506	0.7209	1.3503	0.8555	1.3579	0.7162	0.7975	1.5709	0.6145	0.6820	1.1444	1.0610	0.3133	1.0495	1.4022	0.6113	0.8303	3.2161	1.3448	0.8664	2.2407	1.3156	2.7898	0.8309	0.4896	0.7156	1.1298	1.1878	2.1944	0.8256	0.5683	3.6920	0.6504	0.3289	0.2853	0.5126	1.0489	0.8915	0.6410	0.6602	1.2117	4.5736	0.6124	1.1242	1.0184	0.2075	0.9569	0.7037	2.2046	0.8603	2.0083	2.1616	1.6397	2.9600	0.5979	0.4415	1.6966	0.3880	0.4771	1.3850	1.1630	1.1373	0.5711	1.8145	0.0231	0.4988	2.0747	1.6302	1.0259
Dehydrofusaric acid	2.7691	1.3118	0.3507	0.6109	1.0243	0.3003	1.2793	0.5462	0.2314	0.2189	6.0640	0.2117	0.3092	0.9774	0.4988	0.2592	0.7706	1.0989	1.3646	0.3006	0.2464	2.4446	1.7353	0.2037	0.2086	0.2294	0.2736	0.8738	1.0780	2.8468	1.7891	0.6545	1.3311	3.5764	1.0177	0.6797	0.5701	0.2406	0.2867	1.9404	0.6666	0.2387	0.4196	0.7287	1.3226	0.6839	0.3775	0.8891	2.3849	1.4251	1.4096	1.2788	2.4698	2.4720	1.9664	2.4763	1.0796	0.2042	0.3546	0.4040	2.1077	1.0192	0.2110	0.2044	0.4877	0.2883	1.1259	0.5334	0.2102	0.6142	1.9294	0.8633	1.2033	0.2175	0.7763	0.8261	0.2182	0.2220	2.5898	4.4614	1.0501	0.3646	0.3562	1.6607	0.3360	1.7559	0.3492	1.3285	1.7434	2.7942	0.2222	0.2246	0.6317	0.8915	0.4264	1.1100	2.4296	0.8257	0.6348	2.2586	1.2609	0.3738	2.3920	0.7207	1.4375	2.2153	1.4160	1.7484	2.3223	0.7584	2.2580	1.6518	0.3641	1.3186	2.4431	1.3566	0.4259	1.9639	0.3253	0.5394	0.2747	0.5563	3.1912	1.3298	0.2054	0.6367	0.6153	2.0848	0.2776	0.3685	0.4026	0.4099	2.3019	1.4861	0.8176	1.9096	0.7747	2.9282	0.3480	0.5849	1.7460	1.5531	1.5616	0.0981	0.3245	0.8993	0.5727	0.7335
Deoxycholic Acid	1.0679	2.4782	0.7224	0.5576	0.4814	1.0309	0.4135	0.1864	0.2113	0.6696	0.7073	0.6865	1.0722	1.4168	3.4078	0.2374	0.5277	1.2103	0.7661	2.6261	1.7758	2.4004	2.0095	0.1831	1.6782	0.9775	0.8657	0.3948	0.9896	0.9718	1.0807	0.7119	1.0956	1.3498	0.2402	0.4119	0.3393	0.3053	0.8476	0.9796	1.4421	6.5864	0.2478	0.5511	1.5154	0.8617	1.1209	0.2952	1.2165	3.8213	1.0126	0.8686	0.6476	1.4551	1.0258	1.1858	0.2748	1.1107	0.0209	0.1201	2.7287	0.7362	0.4505	0.7421	0.2533	0.2336	0.8929	0.2895	1.0931	0.5616	0.2963	0.3464	0.3825	0.4878	0.4000	1.0965	0.7017	0.5062	0.4479	13.9273	0.6486	1.1727	0.2419	1.9371	0.7334	0.2738	0.9305	3.8298	3.2621	1.4795	0.6304	1.1782	0.2548	1.6294	2.7158	0.9832	0.6156	2.2787	1.3510	1.1685	0.5471	0.5022	0.4964	0.7920	0.1054	3.2271	0.5066	0.8146	1.0459	0.4427	1.1977	1.6067	0.5935	1.8491	1.0300	0.4087	1.0885	0.8927	3.2770	0.1168	0.5882	1.8332	0.5260	0.9314	0.2661	0.4826	0.1514	0.4067	0.7526	1.2109	0.7925	0.2324	0.6791	2.0908	0.3756	1.1307	1.2181	0.2810	0.6832	0.2906	1.0711	1.4334	0.6439	0.0033	0.3915	0.4020	0.7430	1.1774
Dibutyl phthalate	0.0002	0.0003	0.0003	0.0003	0.0003	0.0003	0.0002	0.0003	0.0010	0.0002	0.0003	0.0003	0.0003	0.0004	0.0003	0.0003	0.0012	0.0002	0.0002	0.0002	0.0003	0.0003	0.0002	0.0002	0.0002	0.0003	0.0003	0.0003	0.0003	0.0001	0.0002	0.0003	0.0003	0.0004	0.0003	0.0003	0.0307	0.0003	0.0003	0.0002	0.0002	0.0008	0.0006	0.0003	0.0003	0.0002	0.0003	0.0002	0.0003	0.0004	0.0003	0.0014	0.0002	0.0003	0.0003	0.0003	0.0003	0.0002	0.0232	0.0002	0.0002	0.0002	0.0003	0.0007	0.0018	0.0003	0.0002	0.0002	0.0002	0.0003	0.0008	0.0003	0.0077	0.0002	0.0003	0.0002	0.0002	0.0003	0.0005	0.0003	0.0002	0.0003	0.0003	0.0022	0.0003	0.0003	0.0002	0.0003	0.0008	0.0002	0.0003	0.0003	0.0004	0.0004	0.0002	0.0003	0.0004	0.0003	0.0004	0.0003	0.0003	0.0003	0.0008	0.0212	0.0003	0.0003	0.0003	0.0003	0.0006	0.0002	0.0003	0.0003	0.0002	0.0002	0.0096	0.0017	0.0003	0.0003	0.0002	0.0013	0.0008	0.0013	0.0002	0.0002	0.0002	0.0009	0.0003	0.0004	0.0004	0.0003	0.0003	0.0003	0.0003	0.0002	0.0002	0.0006	0.0002	0.0003	0.0003	0.0003	0.0003	0.0002	0.0088	0.0000	0.0015	0.0003	8.7914	0.0077
D-Iditol	0.5135	0.4891	0.4722	0.3271	0.5358	0.3599	0.9392	0.2003	0.3784	0.1326	0.7926	0.4742	0.5292	0.3392	0.2460	0.3627	0.4880	0.8268	0.0813	0.6374	0.7178	0.3398	0.4277	0.4851	0.3448	0.5183	0.4235	0.5142	0.5761	0.4582	0.5066	0.6982	0.5531	0.5389	25.4669	0.6074	0.5966	15.8470	10.4279	0.7837	0.9419	0.8781	0.4167	0.3487	6.1612	2.9935	0.6438	0.5876	0.5503	0.5965	0.7090	0.6659	0.2434	0.4412	0.9549	0.8461	0.3188	0.3420	0.4260	0.7540	2.6839	0.9018	0.5606	0.4568	0.4464	12.0764	0.2469	0.4463	6.3188	4.9096	0.3905	0.3264	1.3251	0.3089	0.5069	0.5933	0.4651	0.6002	0.4378	0.0071	0.0718	0.6347	0.0920	1.7167	0.0920	0.3706	0.0941	0.6352	0.4329	0.6371	4.5504	0.7138	0.2217	0.0829	0.5461	0.5200	0.4031	0.1605	0.3140	0.2058	0.4943	1.3229	0.6521	0.5348	0.6144	0.0817	0.5369	0.4506	0.4190	0.4082	0.5423	0.1307	0.4791	0.4671	0.6889	0.2677	0.3525	1.0570	0.6362	0.2744	0.5647	0.2597	0.5091	0.3362	0.7322	0.5030	0.5780	0.4200	0.0633	0.9143	0.2286	1.1555	0.3745	0.5601	0.1132	0.7042	0.2270	0.8147	0.8006	0.2728	0.7099	0.1203	0.4043	0.0195	0.4754	0.5058	0.7284	1.0917
Difluostatin A	0.0541	0.3089	0.7307	2.3211	2.5709	3.6621	0.3346	0.0613	0.2379	0.2859	0.3987	0.7611	2.9706	0.7489	0.0677	0.1427	0.1147	0.1341	0.3250	1.1478	2.4445	1.2612	0.6289	0.3593	0.3297	0.4106	0.3804	0.2682	1.4886	0.3365	0.1399	0.2052	0.3678	0.3095	0.9745	3.2355	1.1559	1.1496	0.5915	0.4045	0.3777	0.2867	0.4430	0.3393	0.2234	0.3266	0.9340	1.5398	0.3247	0.5954	0.9574	0.1375	0.0980	0.1842	0.0507	0.0287	0.3285	0.3034	1.8450	0.3900	0.2338	0.1765	0.0603	0.6700	0.4276	0.3635	0.2766	0.1698	0.9676	1.7461	0.8297	3.4732	2.8624	0.7756	0.9672	0.6716	0.7378	0.2879	1.1227	1.6942	0.0659	0.0658	0.0378	0.0237	0.0179	0.0405	0.0178	4.4825	12.9281	0.0586	0.0406	0.1226	0.0183	0.0173	0.0155	2.8038	8.6299	4.8702	0.0451	0.0232	0.0307	0.0164	0.0174	0.0156	2.9563	2.6015	3.3740	0.0164	0.0238	0.1259	0.1037	0.0636	0.0926	0.1404	0.0165	0.0178	0.0149	0.0210	0.1982	5.0766	8.1290	0.0164	0.0164	0.0180	3.2715	0.0366	0.0555	0.0164	0.0130	0.0227	0.0158	7.8414	9.1062	0.0327	6.6436	3.9816	0.0181	0.0184	0.0552	0.0305	8.5548	0.0166	0.0147	0.0112	0.0551	0.0196	0.6646	0.2999
Dihomo-gamma-linolenic acid	0.7257	1.1776	0.6339	0.6154	0.8551	0.8129	0.5496	1.0227	0.7821	0.5956	1.1970	1.3923	0.9457	1.5333	1.9280	0.7800	0.8914	0.5971	0.6262	0.5040	0.7510	0.6760	0.5534	0.5579	0.6589	1.2341	1.1048	1.3832	0.8891	0.4101	0.4706	1.2287	1.6419	1.8169	0.8952	0.7408	1.0247	0.9401	0.7722	0.5528	0.5861	1.1694	0.7193	0.7675	0.8914	0.4857	0.9459	0.4739	0.9336	0.4936	0.7945	0.8836	0.7687	1.7600	1.0317	1.1796	1.0638	0.9507	1.9747	0.8161	0.5257	0.9967	0.9855	0.9569	0.7028	0.9234	0.8161	0.9233	0.5163	0.7972	0.6490	0.3867	0.7937	0.6924	0.7666	0.6401	0.8072	1.4985	0.3821	0.5650	0.5749	1.0888	1.4078	0.6619	1.2341	1.5865	1.1303	0.6147	0.4542	0.8939	0.8955	0.6802	1.2299	1.6142	0.8620	1.0458	1.0878	0.6001	0.8782	0.8620	1.4408	1.0336	1.2219	0.7158	0.5969	0.8746	1.0249	1.3245	1.0525	0.8363	1.1285	0.6135	0.8888	0.5992	0.9925	0.7223	1.7330	1.0948	0.6748	0.8720	0.7487	0.5573	0.8102	0.9329	0.2441	1.3427	1.2369	2.1444	1.1915	1.0634	1.3535	0.5730	0.9326	0.6286	0.4177	0.7182	0.5556	0.6997	0.4692	0.9067	0.6549	0.6768	1.9073	0.0012	0.6584	0.8886	2.1202	0.9230
Dimethachlor	28.1456	29.4196	0.2657	0.2269	0.2383	0.2613	0.1717	0.1809	0.2015	0.1894	0.2016	0.2232	0.1921	0.2469	0.2133	0.2298	0.2016	0.1831	0.1813	0.2705	0.2402	0.3102	0.2874	0.1763	0.2286	0.2969	0.2601	0.2270	0.2123	0.2391	0.1756	0.2492	0.2091	0.1684	0.3619	0.1553	0.1877	0.1820	42.5005	20.2049	0.1818	0.2170	0.1685	0.3203	0.1932	0.1814	0.2217	0.1723	0.2087	0.1965	0.1625	0.1665	0.2008	0.2206	0.2357	0.1849	0.2085	0.1899	0.3534	0.1963	0.2104	0.2741	0.2756	16.3505	0.1855	0.1783	0.1610	0.1938	0.1643	0.3629	0.1857	0.1800	0.2690	0.1752	0.2840	0.4080	0.1833	0.1906	0.1971	0.2185	0.2238	0.2090	0.3096	0.3397	0.3011	0.1799	0.2504	0.2484	0.2215	0.2087	0.2143	0.2321	0.2527	0.2221	0.2634	0.3017	0.2417	0.1906	0.3271	0.2114	0.2063	0.2608	0.2049	0.2552	0.1816	0.2191	0.3945	0.2095	0.2431	0.1701	0.2193	0.1783	0.1870	0.1970	0.1762	0.2863	0.2372	0.2701	0.1973	0.2242	0.3150	0.3613	0.3015	0.2245	0.1894	0.2179	0.2246	0.2517	0.1940	0.2438	0.3910	0.2419	0.4853	0.2026	0.1967	0.2639	0.2555	0.2055	0.2348	0.2344	0.1803	0.2054	0.2066	0.0795	0.2471	0.2684	0.2911	0.2021
Dinoseb	0.1818	0.4053	0.6064	0.6954	0.6274	1.2602	7.2971	6.0953	1.0757	0.5733	0.4167	0.6354	1.1972	0.6952	0.3145	0.8672	0.2707	0.1842	0.2284	0.9056	1.1117	1.2515	0.1714	0.4369	0.4838	0.1382	1.1354	0.2044	0.3059	3.6005	3.8267	0.5188	0.3788	0.6074	0.6284	1.3266	2.2923	1.2187	2.0806	0.9626	0.5161	0.4494	0.5405	0.5452	0.4214	0.5402	0.6842	0.9666	0.4569	0.9038	2.8475	0.3553	0.7274	0.4717	0.6458	0.7590	0.0982	0.2270	0.6577	1.0820	0.8038	0.5405	0.4682	0.4779	0.0997	0.2335	5.9125	4.5016	1.0841	1.0610	0.5306	1.3194	1.8462	0.6902	0.9601	1.1053	0.2337	0.1059	0.6478	0.1379	0.4273	0.5289	0.5506	4.6891	0.5077	0.2475	1.7112	0.2317	0.7485	1.7448	0.9545	0.4382	0.9135	0.8794	0.4564	0.8423	0.8190	0.6153	1.8221	0.8778	0.7673	0.3632	0.4435	0.6945	0.3973	0.4501	0.5136	0.9229	0.6877	0.2674	0.9220	0.7310	0.3124	0.6622	0.6739	0.9836	0.5796	0.7804	0.4792	0.9320	1.0733	0.4972	1.3918	0.7418	1.1921	1.3533	0.5181	1.5182	3.6425	1.3296	0.6535	1.7212	1.3428	1.4844	1.0653	1.3512	1.7225	1.2817	0.3267	0.7305	1.2494	1.2249	1.2971	0.1342	2.0547	8.9173	0.7748	0.6801
Diundecyl phthalate	0.5026	0.1837	0.7423	0.3978	0.8738	0.9003	0.5307	0.1761	1.1551	0.2425	0.4010	0.7519	0.4528	1.6774	1.2554	0.1994	0.0876	0.1639	0.5189	0.0848	0.6939	0.8689	1.0010	2.0508	1.8509	0.6304	0.7629	0.1468	0.4132	0.8828	0.1243	0.8115	1.1313	0.7872	2.5148	1.2458	1.9397	1.4796	0.8915	0.7301	0.4947	0.8770	0.1414	0.2848	1.0032	0.8076	1.9034	0.5744	0.0576	0.0929	0.9055	0.4261	1.3055	0.7294	0.5118	1.0883	2.1572	1.1860	0.9427	0.6830	1.6558	0.6963	0.7218	0.2175	0.5320	0.6603	0.8888	1.9551	1.3248	1.0852	1.3921	1.8178	2.0299	0.6390	0.9886	1.6152	1.8862	1.0530	0.9864	1.9244	0.8582	0.4606	1.9797	2.2777	2.2417	0.4756	0.7373	1.1215	0.6722	1.1592	1.6144	1.0224	0.4681	0.9240	0.7370	0.9306	1.1538	0.8930	1.5268	2.3847	1.6919	0.4797	0.4798	1.5222	0.7896	0.6897	0.5241	1.4223	0.9814	0.8856	0.9304	0.8545	0.0584	0.7588	0.4760	1.2899	2.9385	2.8411	1.4230	0.7271	0.1680	1.6775	0.5010	0.7646	1.0948	0.3536	1.6000	1.1102	0.9159	0.2878	1.5851	0.5751	1.7468	1.2025	1.1678	0.9798	0.8586	0.9314	2.1187	2.1884	1.4284	2.0126	1.3688	0.0156	0.4428	1.4297	1.3685	0.9489
DL-Erythrono-1_4-lactone;Erythrono-1_4-lactone	0.7368	0.8246	0.6879	0.4712	0.6174	0.6704	0.7452	0.8931	0.6374	0.8889	0.9011	0.3343	0.9131	0.6120	1.0155	0.7654	1.0359	0.7638	0.7578	0.8645	0.8209	0.6066	0.6464	0.7047	1.0852	0.4760	0.5692	0.7031	0.6667	0.6358	0.6632	0.9977	0.8843	0.7494	0.6843	0.7386	0.9155	0.8732	1.0604	0.8393	0.8932	1.0072	0.6552	0.9075	0.7539	0.7673	0.9231	0.9230	1.2293	1.2335	0.7677	0.8767	0.6500	0.7722	1.0576	1.2781	0.7249	0.8065	0.9457	0.6707	0.5284	0.9093	0.6128	0.6567	0.7162	1.0346	0.8748	0.7245	0.7930	1.4119	0.6221	0.6068	0.8391	0.5328	0.6954	0.8065	0.5936	0.8299	0.7550	1.0123	0.9664	2.3921	0.4501	1.0549	0.4368	1.0415	0.9316	0.7582	0.8304	0.7976	0.6886	0.7519	0.9522	1.0200	0.8701	1.3060	1.0634	0.9190	1.0989	1.0119	1.0179	0.7609	1.0817	1.1105	1.0123	0.9548	1.2927	1.0918	0.8452	0.8355	0.9635	0.8778	0.6283	0.6092	0.8567	1.3063	0.6985	0.9184	1.0027	0.7192	0.7987	1.6541	0.8290	0.5731	0.5184	1.0722	0.7774	0.6716	0.6392	1.2792	0.8646	0.9261	0.9693	1.0066	0.9985	0.9731	1.1916	0.8747	1.3673	1.1386	0.8618	1.0260	0.7138	0.7994	0.9492	1.0658	2.3476	0.8940
DL-Isocitricacid	0.9690	1.3072	0.6697	0.3309	0.1470	0.6825	0.4728	2.4275	0.6009	1.7562	0.2732	0.1502	1.7984	0.2758	2.5702	0.3299	2.5765	0.3493	0.5473	0.5445	0.3522	0.2418	0.3446	0.4007	2.1233	0.2684	0.5604	0.1940	0.3789	0.3875	0.5331	2.1811	0.8731	1.2207	0.5867	0.2786	0.4690	0.4626	0.9948	0.1889	0.1948	0.2180	0.2123	0.3362	0.3208	0.4974	1.2936	1.8539	1.0751	1.0330	0.4972	1.0839	0.1170	0.4351	1.0800	1.2192	0.4590	0.5563	0.4065	0.2636	0.1033	1.0702	0.0997	0.3566	0.1525	1.4020	0.5100	0.1728	0.1798	1.2626	0.1829	0.2349	0.3876	0.1598	0.2538	0.7631	0.2076	0.5102	0.4083	1.3044	0.8894	2.7251	1.1957	1.1352	1.0194	2.2472	1.6602	0.8785	2.4765	1.0909	0.7094	1.0145	1.8253	1.5540	1.2132	5.0596	1.2771	1.3700	1.8097	1.8275	1.8069	1.6307	2.1081	1.3871	1.7816	1.5341	2.3885	1.4689	1.8616	1.5637	1.8278	1.3778	0.1885	0.1947	1.2766	2.5025	1.5673	2.9725	0.8059	0.9862	1.5776	2.2897	1.3657	1.3156	0.0911	1.3588	0.9293	0.7707	0.6107	2.4743	1.9362	1.6862	1.1224	1.4724	1.2287	1.7339	1.3017	2.1044	2.6122	2.0274	1.4486	1.4382	0.9920	0.0790	1.3315	2.0414	0.8625	0.9812
Docosahexaenoic acid	0.4769	0.7695	1.0231	1.1459	0.6879	0.6422	0.5213	1.3564	0.7133	0.6831	1.1809	0.9427	0.7678	1.0943	1.2495	1.6878	0.4954	0.5171	0.8103	0.3450	0.6363	0.6334	0.6149	0.6646	0.8825	0.6896	1.4755	1.2192	0.8626	0.4493	0.4295	0.5894	2.4311	1.8087	1.0904	0.7620	0.6256	0.6870	1.1724	0.8078	0.6210	1.3429	1.3276	1.3648	0.5199	0.3046	0.8732	0.3803	0.7455	0.3989	0.8236	0.7648	0.9400	1.2180	1.1724	1.5942	0.8836	0.7172	1.6705	1.2509	0.4721	0.7278	0.7064	0.5342	0.6126	0.7052	1.0076	0.9499	1.4431	1.7441	0.6966	0.4232	1.2547	0.5980	0.9196	0.6813	0.5315	0.8580	0.3441	0.4969	0.8880	1.2333	0.9248	0.5716	0.9213	1.4108	2.8278	0.7677	0.5122	0.7218	0.7005	0.4420	1.0549	1.3918	0.7471	0.6420	1.6983	0.9006	1.2632	0.9462	1.4132	0.9547	1.1709	0.5622	0.6595	0.7279	0.6708	1.8388	1.1932	0.6269	0.8380	0.7531	0.7500	0.7692	0.6785	1.9214	1.5559	0.9369	0.4601	1.9373	0.4364	1.6296	1.3596	1.2773	0.3770	1.7037	1.2775	2.3435	1.2784	2.8371	2.0021	0.7906	1.1154	0.9787	1.2360	1.3124	0.5628	2.5052	3.5414	1.4331	0.4763	0.8689	1.5509	0.0005	0.8718	2.1161	1.3754	0.6620
docosapentaenoic acid	1.0767	1.6069	0.4822	1.4950	0.5348	0.4189	0.3707	0.4767	0.2491	0.5937	0.9144	0.5032	0.4736	0.8685	3.2576	0.3763	1.2207	2.0051	1.5026	0.7168	1.1836	2.1659	1.9291	0.2121	2.7006	1.3993	0.9029	0.6779	1.0195	1.0334	0.9177	1.8604	0.7473	0.6057	0.8190	1.0510	0.1763	0.9558	0.1768	0.4640	1.6709	6.4091	0.7173	1.4782	4.1421	2.7499	0.1993	0.2411	0.5089	0.6375	1.5664	0.8726	0.3464	0.4779	0.8190	0.9728	1.5017	1.8570	0.0906	0.2190	1.7112	0.3748	0.4571	0.5216	0.2875	0.2883	0.5085	0.5940	0.8432	1.1031	0.7226	0.6941	0.6032	0.5521	2.4959	2.7383	1.4916	1.0592	0.9197	2.6983	0.7083	1.5950	0.7219	0.8605	1.3647	0.5183	0.5950	2.0599	1.3674	1.2337	1.6723	1.7401	0.8582	1.7128	0.9566	2.8736	0.7073	2.4449	0.8202	1.5187	1.3379	0.1615	0.4784	0.9661	0.2141	2.4433	0.9391	0.9542	1.5780	0.7780	0.8294	0.5465	0.6086	1.4638	2.0048	0.4728	1.9893	1.0223	2.2891	0.4795	0.1634	0.8133	0.7850	1.3174	0.3531	0.2938	0.1952	0.6566	0.4394	1.5208	0.4964	0.3611	0.7607	1.7334	0.5613	0.9013	1.1182	0.6261	3.5564	0.3567	1.7913	2.0849	1.2861	0.0551	0.8555	1.0894	0.6830	0.8860
DOD	0.2361	0.1239	0.1601	0.1507	0.1452	0.2635	0.1230	0.1257	0.1335	0.1301	0.1306	0.1354	0.1417	0.1453	0.1675	7.0926	0.1505	0.6198	0.1146	0.1849	0.2166	0.1910	0.1589	0.1508	0.2534	0.1663	0.1517	0.1469	0.1467	0.1366	0.1196	0.1446	0.1278	0.1352	0.2127	0.1236	0.1748	0.1161	0.1595	5.9369	0.1390	0.1335	0.1105	0.1599	0.1341	0.1133	0.1676	0.1277	0.1286	0.1307	0.1352	0.1131	0.1291	0.1376	0.1857	0.1584	0.1486	0.1148	0.2764	0.1199	0.1273	0.2015	0.1560	0.1808	0.1244	0.1350	0.1204	0.1502	0.1225	0.1429	0.1353	0.1596	0.1694	0.1377	0.1565	0.2135	0.1313	0.2981	0.1303	0.2521	0.4658	0.2025	0.2466	0.2261	0.2200	0.1602	0.2690	0.2358	0.1530	0.1744	0.1348	0.1204	0.2305	0.2299	0.1802	0.1831	0.1778	0.1586	0.3252	0.2451	0.1622	0.2812	0.1714	0.1924	0.1778	21.9889	0.2704	0.2339	0.1825	0.1542	0.1995	0.1600	0.1676	0.1283	0.1955	0.2599	74.0464	0.2340	0.1327	0.1992	0.2540	0.2277	0.1948	0.1502	0.1210	0.2317	0.1422	0.1655	0.1260	0.2166	0.2216	0.1606	0.2872	0.1411	0.1844	0.2665	0.1921	0.2034	0.1927	0.1847	0.1885	0.2787	0.2149	0.0988	0.3088	0.1920	1.8947	1.3734
Dothideomycetone A	0.8182	0.8193	0.8394	1.4955	0.9271	0.8154	0.5743	1.3220	0.6261	0.9702	1.1025	0.9868	1.5868	0.4446	1.0593	1.4122	1.0786	1.1205	1.0301	0.7534	1.0359	0.7055	1.1602	0.9834	0.7989	0.7278	1.0696	0.6867	0.6224	0.8787	0.9494	0.9267	0.8827	0.7430	1.2151	1.0574	0.9230	1.0391	1.0441	1.4204	1.6380	1.7497	1.0723	1.6952	0.5215	0.8308	0.7993	1.1572	0.7899	1.4179	0.7287	1.1932	0.8907	1.3399	0.4633	0.9258	0.7468	1.0277	1.2249	0.8110	0.9813	1.0816	1.4627	1.0015	0.9876	1.1533	0.4652	0.9364	0.7259	0.8702	0.5821	0.7096	1.1920	1.3120	0.5338	1.2516	0.5819	1.2397	0.8381	1.1918	0.7545	2.2074	1.6235	3.0422	1.1280	0.6153	1.3805	0.6433	0.8954	1.0939	0.6134	0.9019	0.6732	1.0644	0.8161	1.3024	1.0186	0.8213	1.2178	0.7288	0.9928	0.9031	0.9132	0.9451	1.0955	0.7848	0.7097	1.0669	0.7742	0.8755	1.1815	0.6825	1.1062	0.9494	1.2241	1.4489	0.6423	1.9364	1.2687	0.4665	0.6992	1.1026	0.8183	0.8154	1.0626	1.1311	0.7343	0.8346	0.9326	1.5037	0.6546	1.3935	1.1929	1.4991	0.9486	1.5599	1.1015	0.9236	1.0342	1.7695	1.0786	2.2785	1.5251	0.0045	1.0555	0.9745	1.1576	1.4528
D-Pipecolicacid	3.5074	1.0204	0.4788	0.4424	0.8132	0.6787	0.8663	0.4792	0.7024	1.5355	0.6937	0.5372	1.6501	0.6532	2.0101	0.7927	0.5384	0.9109	0.9583	0.6174	0.9130	0.6363	2.2376	0.7015	1.1932	1.1327	0.7724	0.6909	0.5935	0.6736	0.7094	0.8996	0.6222	0.7598	1.5607	0.4928	0.8090	0.6873	2.0134	1.6035	1.3923	0.9435	0.6712	0.7470	0.6541	0.5527	1.1529	0.4470	0.4032	3.3468	0.3891	1.4482	0.7263	0.8186	0.7432	0.7490	0.5060	0.6249	0.5112	0.4737	1.4532	4.8480	0.6028	0.5599	0.4293	0.4109	1.0262	0.8922	1.1131	0.6082	0.6029	1.8542	1.3368	1.0297	0.8838	0.5062	2.7514	1.7070	2.7422	0.5231	0.2552	0.6289	0.5013	0.7276	0.3592	1.1001	1.4580	0.8506	1.4988	0.4636	0.3564	1.0742	0.9924	0.7135	0.6797	0.6313	0.4018	0.2657	0.5857	0.6416	0.4983	0.5395	0.6026	1.0211	1.9887	0.9224	1.0371	0.6562	0.6291	0.4537	0.5093	0.7091	0.5832	0.3344	0.5014	0.7454	0.6903	2.2736	0.6928	0.3603	1.8720	1.3286	0.9656	4.5386	0.6460	1.6804	0.6073	1.6428	2.6753	1.6718	2.0463	0.9350	0.7637	1.0166	0.8178	1.9870	0.7084	1.7262	1.6759	1.3059	0.6139	0.9094	1.1544	0.0103	2.3702	0.9526	1.1934	1.3317
D-Proline	0.9176	0.7283	1.1411	0.8033	1.0275	0.8707	0.8439	1.0412	0.7506	0.7547	0.7976	0.6436	1.0864	1.0747	1.9180	1.3503	0.7432	1.5914	0.9172	2.1075	1.7445	1.2633	1.0225	0.7896	0.8816	1.0032	0.6950	0.8820	1.0569	2.4026	1.0553	1.0683	0.6767	0.6615	1.5433	0.8280	0.7805	0.8762	1.3163	0.9901	1.1176	1.2057	0.7829	0.7340	0.6750	0.6732	1.7044	1.4550	1.1645	1.4523	1.1885	0.8040	0.8917	0.8138	0.9787	1.0791	0.8671	0.9839	1.0679	1.0366	1.1017	1.7383	1.1440	1.4295	0.6187	0.7982	0.7546	0.6527	3.2198	0.8353	0.8670	0.8861	1.6607	0.6094	0.7559	0.9132	1.2926	1.2686	0.8009	1.0366	0.8406	1.2138	0.9533	1.9107	0.8344	1.0083	1.2853	0.8858	1.0000	1.7910	0.7373	0.8114	0.9288	0.6872	1.0655	1.0360	0.9556	0.5723	0.7255	1.5766	1.1493	0.8133	1.1971	0.8616	0.8609	1.1553	0.8237	0.9618	0.8555	0.6180	1.3866	0.8026	0.7334	0.7597	1.3641	0.8503	0.8876	1.5063	0.9900	0.6871	0.9885	0.9546	0.8979	0.7974	1.0358	0.8899	1.4133	0.6194	1.2684	1.8157	0.9669	0.9160	1.5552	0.8624	1.1187	1.6147	1.5461	0.7381	0.5610	1.0076	1.3423	0.7345	0.7255	0.0064	1.2981	0.5861	1.0879	1.0856
D-Serine	0.8830	1.1354	0.8251	2.1863	0.9201	0.8947	1.0958	1.1745	0.9961	0.9063	1.1263	1.3488	1.6819	0.8357	0.9803	0.8769	1.2045	1.0920	1.0877	0.8640	1.3256	0.9195	1.2399	1.4936	0.9526	0.6366	0.8036	1.2057	1.2106	1.7117	1.8869	1.0426	0.7469	0.8661	0.5943	1.6765	1.0608	2.0354	0.9483	1.2915	1.2984	1.1637	1.6977	1.5888	1.2437	1.6712	0.6534	1.0687	0.8287	0.6050	1.1163	1.0364	1.5634	2.1304	1.1055	1.1089	1.3270	1.7219	1.1480	1.5332	1.6030	0.8384	1.0322	1.8475	1.3510	0.9259	0.9939	1.6510	2.4026	1.1368	1.1932	1.8085	0.9162	1.5784	1.3032	0.6780	1.5437	2.5549	1.3822	1.5004	0.6776	1.1549	0.7466	0.4732	0.7299	1.0948	0.8729	0.5962	0.7819	0.6276	0.6073	0.7229	0.7494	0.6780	0.6624	1.1006	0.5651	0.5881	0.9588	0.7860	1.0805	0.7778	1.0536	1.0733	1.1811	0.5779	0.6092	0.6778	0.9440	0.6086	0.7920	0.8737	1.5161	1.5753	0.6730	0.9977	0.6604	0.4682	0.5939	0.4166	0.6704	1.0367	0.6025	0.7030	1.2360	0.7110	0.7957	0.5053	0.7597	0.7981	0.8651	0.6205	0.9619	0.6042	0.7731	0.6053	0.6103	0.5469	0.6340	0.7662	0.7699	0.6338	0.4979	0.0008	0.6441	0.6872	1.1837	1.0618
D-Sorbitol	0.5287	0.4464	0.2947	0.2635	4.1824	0.4574	0.2331	0.2593	0.2917	0.3438	0.4679	0.4057	0.5500	0.2086	0.2129	0.4711	0.4702	1.8763	1.0034	0.4447	0.3555	0.2561	0.2451	0.2943	0.3162	0.4753	0.3086	0.2920	0.3303	12.8074	0.6424	2.2522	0.3825	0.3821	3.1478	0.7136	0.5412	0.4606	5.3470	1.2488	8.0905	0.5976	0.3110	0.3572	0.5371	0.5186	0.5122	0.3610	0.3940	0.9350	3.9918	0.7620	0.2296	0.3109	0.7110	0.7079	0.2613	0.2691	1.9026	0.3052	0.3171	0.5108	0.4408	1.1640	0.4209	10.0689	0.2616	1.5744	0.2995	0.3785	0.3075	0.5229	2.6304	0.2097	3.9965	2.3531	0.2707	0.0307	0.2475	0.2821	2.7841	0.3431	0.9112	1.2608	0.4359	0.5505	4.7166	0.5151	0.3004	0.9218	0.3201	0.8075	0.3113	0.4192	0.5321	0.5451	0.6906	0.4424	1.2633	0.3609	1.3381	1.5604	0.4072	0.3177	0.4517	0.6130	0.9425	0.2587	0.3506	0.4703	0.5916	1.4710	3.7697	0.4152	4.0413	0.7892	0.4528	0.7639	0.3984	1.5061	4.9795	0.9386	0.3691	0.4681	3.1015	0.3333	0.9707	0.3300	0.2916	0.5971	0.2390	0.5243	0.2763	0.3611	0.3800	0.8249	0.3818	0.3264	0.4774	0.4204	0.3876	0.5104	0.5551	0.0071	0.3483	1.7719	1.1010	0.6988
D-Tryptophan	0.8713	0.7843	0.9471	0.5680	0.8870	1.2450	1.0775	0.7741	0.9596	0.9244	0.7949	0.8962	0.8203	0.9861	0.7146	1.8933	0.7406	0.4577	0.9411	1.0740	1.3281	1.1909	1.1317	1.0335	0.8424	1.0453	1.2841	0.9841	0.9131	1.4200	1.0347	0.7705	1.0085	0.7466	0.8162	0.6433	1.1680	0.8487	0.9156	0.9139	0.8891	0.7301	0.8729	1.0893	1.2032	0.8030	0.9344	1.2367	1.5837	1.2377	0.8416	0.8744	1.2449	0.9995	1.1659	1.1803	0.7629	0.5217	1.2802	1.0551	1.0761	0.8732	1.0723	0.8186	0.9942	1.0204	1.1165	1.0048	1.1283	1.1564	1.0342	0.8299	1.3689	0.7706	0.9809	1.4419	1.1463	0.9514	1.1421	1.1079	1.1823	1.1199	1.2049	2.0085	1.1507	0.5237	1.3623	1.2669	1.0124	1.4372	1.1469	1.0676	1.0154	0.9136	1.1071	1.0921	1.1102	1.0796	1.0126	1.1525	1.1855	1.3313	1.1982	1.1197	1.2491	1.3223	1.2193	0.9577	0.9175	1.1549	1.1973	0.7077	0.4427	1.0069	1.1629	1.3037	0.7731	1.2341	1.0797	1.1110	1.1783	1.5849	1.1853	1.3327	1.6040	1.0233	1.1575	0.9385	1.0898	1.2145	1.1103	1.0824	1.2689	1.3921	1.4995	1.4562	1.2637	1.5989	1.1755	1.4407	0.9748	1.5488	1.1862	0.0003	1.3238	1.2004	0.8966	0.8259
(E)-3-[4-(Sulfooxy)phenyl]acrylic acid	5.4372	0.1675	0.2295	0.2016	0.1704	0.1581	0.4855	0.6829	0.1748	0.1006	0.1863	0.0977	0.4441	0.1191	0.1448	0.0950	0.1442	0.2268	0.8690	0.9789	0.1969	0.2320	0.7088	0.1531	0.1420	0.1466	0.3929	2.7200	0.3989	1.7549	4.8947	0.5377	0.1075	2.4460	0.1995	0.1473	0.9610	0.1495	1.5235	0.1639	0.3101	0.7870	4.0500	2.8501	0.1960	0.2481	2.7587	3.5498	0.1213	0.1140	1.6836	1.4198	0.1092	0.1505	0.2715	0.3343	0.1356	0.2617	0.5600	1.5712	0.9707	0.2378	0.8396	0.1243	3.2333	0.9825	5.0934	2.7260	0.1277	0.1608	1.7752	1.6578	0.1833	0.1958	0.3878	0.2803	5.0241	2.5496	1.0038	2.0407	1.5360	0.2569	0.4241	0.1085	0.2580	0.2401	0.6453	1.0664	0.3656	3.7137	0.1886	0.2613	0.9911	0.4830	0.5414	0.1987	0.3168	0.6309	0.1791	1.2398	2.8427	0.1050	0.2024	0.1794	0.7132	0.1756	1.7107	0.2330	0.2311	1.0237	2.0257	0.2536	0.2033	0.2173	1.0456	0.8050	1.0585	0.7658	0.2258	1.3067	5.7249	0.1548	3.2158	0.2584	0.2012	4.5929	0.1288	1.0575	0.1045	0.8717	0.1558	0.2066	0.1921	1.6742	0.1573	0.3970	0.2209	0.1655	0.3126	0.1918	0.2056	0.1720	0.1513	0.1221	0.1210	2.6821	1.8934	2.2605
Ecgonine	2.0342	2.0299	1.4448	1.1072	0.7422	1.4752	0.9688	1.1535	1.1764	1.2307	1.0268	0.9254	1.2527	0.8634	0.7828	0.7515	0.9218	0.9051	1.0187	0.4115	0.3974	1.6091	1.5258	1.0169	1.3880	0.9524	0.9204	1.5941	1.5147	1.1306	1.2244	1.5073	0.5697	0.7286	1.2740	0.7715	0.9890	1.0546	1.0144	1.4957	1.4894	1.4198	0.9162	0.7584	0.7742	0.6587	0.9512	0.9394	0.8053	0.5809	1.0932	1.1497	0.6859	0.8184	1.8837	1.8448	0.7934	0.9401	1.4572	0.5509	1.0157	0.8525	1.0723	1.0775	0.8605	0.8218	0.9206	1.3412	0.7955	0.7729	0.8540	1.0408	1.3144	1.0353	1.2452	1.2586	1.5928	1.7442	1.2891	1.7607	0.9310	1.2500	0.5284	0.8636	0.6594	0.7360	1.1148	1.3633	1.2157	1.4874	1.0386	1.0599	1.2677	0.9966	1.0232	1.3370	1.2055	1.1666	1.4810	1.0110	1.5865	1.2208	1.4059	1.1799	1.1290	1.6501	1.8264	0.5316	0.5801	1.2789	1.4584	1.3224	0.9961	0.7214	0.8273	0.4223	1.1338	0.8875	0.8843	1.0136	1.1473	1.2645	0.5431	0.8084	1.5831	1.6430	0.3043	0.8714	1.0931	0.9411	0.9433	1.4555	0.7179	0.3682	1.2873	1.0213	1.4547	0.6186	1.2315	0.7414	1.2843	0.7820	0.6909	0.0155	0.9571	0.3382	0.8195	1.7225
Eicosanoicacid	0.8053	0.9624	0.6106	0.4280	1.3690	0.9476	0.6643	1.6211	0.4839	0.7237	0.5913	0.5621	0.4093	0.6519	0.9156	0.5860	0.5816	0.4085	1.0330	0.6025	0.4640	0.6139	0.7905	0.4150	1.3765	1.2263	1.0672	0.7812	0.3113	1.2086	0.8894	0.7228	0.8917	1.1784	1.1765	0.3763	0.5800	0.9331	1.0363	0.3812	0.5333	1.1697	1.6421	2.0808	0.4174	0.3267	0.7191	0.2926	0.5977	0.4218	0.6580	0.8319	0.7530	0.9306	1.4651	1.2451	0.4497	0.4859	0.7890	0.4087	0.6102	0.9352	1.1493	0.6176	0.7692	1.1718	0.4794	0.7418	0.4370	0.3713	0.5472	0.1873	0.8179	0.6527	0.8573	0.4161	0.3274	0.2224	1.1103	0.8634	1.2416	1.3754	1.4506	1.5787	0.8653	0.8189	0.6333	0.5098	0.4247	1.5402	1.0565	0.5830	1.3386	1.3115	1.1547	0.5189	0.5898	0.4952	0.9530	2.0687	2.2050	0.9522	0.7598	0.7333	0.3726	0.5464	0.5107	0.7942	0.5857	0.6194	1.8266	0.9916	0.5719	0.7855	1.7880	2.6402	1.8097	0.6804	0.9899	0.7519	1.5182	1.3849	2.0319	1.4630	0.2461	2.1635	1.6647	2.7436	1.6903	3.6640	1.5237	1.1313	1.4302	1.9634	0.2415	2.5826	1.0715	1.7617	2.4683	2.1299	1.6482	1.4340	1.6165	0.0167	1.4537	3.5327	1.2844	0.8121
Ent-cycloechinulin	0.7401	1.6094	0.7709	1.0370	0.7772	1.7559	0.7157	0.8912	1.2215	2.1617	0.3833	1.5901	1.4217	2.4607	1.3248	0.6033	0.7787	0.6278	1.5894	0.8732	1.0689	0.8046	0.7802	0.9289	1.1904	1.5009	2.3913	0.9049	0.9768	1.5550	0.7162	0.2598	1.1862	1.0799	2.5545	0.7623	1.5789	1.7069	2.1737	1.0450	0.4948	3.3573	0.7384	0.9579	0.7756	0.8251	1.0374	0.8113	0.8570	0.8201	1.6424	1.0518	1.4528	0.9886	1.7547	1.1605	1.5561	1.0785	0.3818	0.7921	1.1945	1.9039	1.6328	0.8959	0.5123	0.8882	0.9839	1.0886	0.7799	0.8998	0.9359	0.8837	0.2567	1.1145	0.9061	1.6715	1.0490	1.3533	0.8019	0.8654	0.4711	0.2756	2.1496	1.2994	1.5207	0.9577	1.7869	1.0261	1.4173	0.6753	1.7324	1.2456	1.0470	2.2639	1.2583	1.0511	2.2109	1.4343	0.7664	1.7200	1.1481	1.4068	1.1616	0.6569	1.0530	1.9315	1.4028	1.4024	1.3487	0.8682	1.3322	1.3223	0.6551	1.1245	1.2355	1.9151	1.2999	1.1432	1.1040	0.9020	1.1500	1.2689	1.5453	2.4366	0.2497	0.7702	1.4718	1.4272	1.3692	1.5700	1.0768	0.5920	1.0433	0.9970	0.6966	1.1726	1.1610	0.8925	1.4983	0.8634	0.9911	1.3924	2.0813	0.0431	0.8149	0.9371	0.0943	1.0470
Epothilone I3	1.4202	0.2919	2.0106	0.6673	0.3371	0.5915	0.9898	0.9827	0.8724	0.3950	2.3772	0.9820	0.2453	1.7850	0.7685	1.2677	1.1816	0.2545	0.5457	0.6510	2.3119	0.5347	1.5654	2.3753	1.0785	0.9309	1.1760	0.3170	0.2494	1.5889	0.8034	0.2577	0.7569	0.8505	0.8107	0.2211	0.5130	0.7518	0.2757	2.1234	0.3025	0.5378	0.8356	3.0772	2.6367	2.6957	0.5190	0.9428	1.2441	1.0171	0.8912	1.0006	2.2993	1.2277	1.0344	1.1835	0.2475	0.5140	1.1532	1.2529	1.8019	2.6615	0.3750	0.6706	0.2071	0.5999	0.8073	1.9902	0.6101	0.7880	2.9529	1.1645	0.6033	0.3734	0.9445	0.6547	0.2472	1.1448	0.9538	0.9895	0.3569	0.8180	0.8956	1.4504	0.9015	0.8523	1.5620	1.0642	0.5620	1.0883	0.2567	1.4165	0.7521	1.0619	0.9055	0.9347	0.8563	0.9477	1.0270	0.2969	2.3151	2.2715	0.9815	0.2459	0.4307	0.2540	0.5013	0.4332	0.6747	0.5814	0.7567	0.5099	0.5303	1.1791	0.9006	2.9934	0.2516	1.7053	1.2212	0.2562	0.6866	1.2887	1.3034	0.7039	0.6693	0.8525	0.7250	0.2496	1.2300	1.0151	0.8182	1.1594	0.6062	1.1314	1.3542	1.3963	1.1814	0.3875	0.2592	1.3953	0.6361	1.1569	1.0209	0.0890	0.7906	1.0590	1.4359	1.4266
Ethyl3-oxohexanoate	1.2705	0.4188	1.3024	0.7892	0.8352	1.1012	0.9008	1.3240	0.7442	0.6044	1.0689	0.5357	0.7124	0.4958	0.6776	0.6111	0.5629	0.8666	0.6306	1.5591	0.9883	0.8102	2.0343	1.2722	1.2497	0.6940	0.9883	0.5431	0.5597	1.8103	1.5327	0.3858	0.2381	0.5204	0.6843	1.1278	0.8735	1.4216	2.3933	1.5331	1.0574	2.3489	0.6373	1.3584	0.6820	1.3876	0.2808	1.1866	0.3760	0.6676	0.6692	0.6561	0.9668	1.0824	1.4138	1.5901	0.4619	0.7075	0.2220	1.0517	0.8940	0.3268	0.4279	0.3261	0.5842	1.6901	0.9968	0.9384	0.3547	0.4313	1.0882	0.6200	0.4610	1.7671	1.2233	0.9979	0.8446	0.9607	1.7184	4.9052	1.5678	1.3394	0.9393	3.4246	0.7795	2.3390	0.8741	0.9223	0.8732	0.6684	0.5641	0.5409	0.9133	1.1462	1.1418	0.3069	0.5879	0.5722	0.4698	1.6009	1.1556	0.9518	1.0844	1.7789	1.6502	1.2124	1.2361	0.7819	0.7274	1.1218	1.1269	0.6413	0.7903	1.7335	2.3292	3.7470	0.7850	0.8103	3.7544	0.9239	1.7172	2.0635	1.9808	1.2123	0.4581	1.4034	1.1425	0.7452	1.1330	2.7086	0.5612	1.7840	0.9987	3.0619	1.1893	2.0537	1.8772	1.2672	0.8862	1.7420	1.6579	1.8495	1.4731	0.0065	2.3677	1.0542	0.3107	1.1217
Ethyl Paraben	1.2251	1.0690	0.9779	0.4447	1.3992	0.8089	0.6801	0.4508	0.5749	0.4073	0.7671	0.9890	0.7497	0.7616	1.7584	1.2155	0.4413	0.1200	0.6630	1.2842	1.3254	0.9072	0.7547	0.7966	0.8303	0.5599	1.0458	0.8080	0.7987	1.4517	0.6270	0.7127	0.6176	0.3044	1.6331	0.4303	1.1438	0.9262	0.9813	0.6765	0.9914	0.9646	0.9067	0.8559	1.1075	0.7141	1.7278	1.1318	1.4909	7.5390	1.5635	0.5205	1.0750	0.9577	1.3495	0.9998	0.8966	0.6385	2.1620	1.4678	0.6824	1.9582	0.6660	0.9558	1.3659	1.0431	0.5261	0.5875	0.8585	0.7925	0.7892	0.9237	1.0511	0.4827	0.6641	0.8086	1.1267	0.8016	1.4852	0.8965	1.2739	0.9339	1.4263	4.3382	0.9402	0.6792	1.5139	1.2002	0.4940	1.4784	1.0027	0.5982	0.7603	0.7417	0.9049	0.7995	0.9753	0.6117	0.7863	1.1563	0.8151	1.0747	0.8687	1.0754	0.8192	0.9256	0.5018	1.1253	0.9558	0.4712	0.6874	0.9361	0.4430	0.8715	0.8466	1.3811	1.0580	2.3323	1.2846	1.0686	1.7105	1.4715	1.0634	1.0056	0.5812	0.7297	0.9360	0.5210	0.6179	0.9250	0.8521	1.6612	1.3235	1.6310	1.1236	2.2736	1.6012	0.3618	1.9374	1.3932	0.5817	0.9817	0.6606	0.0094	1.5865	0.5140	1.0841	1.0749
Ethyl(R)-3-hydroxyhexanoate	0.8455	0.2743	1.1895	0.6399	0.7437	0.6479	0.5454	0.8007	0.5906	0.3284	0.6321	1.1149	0.7857	0.3589	1.4240	0.8912	0.3308	2.4125	0.3507	1.6095	1.1589	0.6947	1.8217	1.7525	1.2909	0.4100	0.8078	0.5105	0.4725	0.7441	1.2968	0.5422	1.2486	1.3135	0.4261	0.9593	0.5242	0.7905	2.2296	1.5448	0.7888	1.8099	1.0875	0.7052	1.1649	1.6499	0.9601	2.0709	0.3673	0.3720	0.6836	0.3954	0.5684	0.4442	1.9988	0.6874	0.3705	0.6675	3.1856	1.0547	0.6426	0.3355	0.2637	0.3699	0.3892	1.1870	0.6275	1.0987	0.5904	1.1970	0.7529	1.0780	0.8156	1.0737	0.5301	0.6401	1.3098	1.1503	1.1055	3.2804	1.3962	1.6286	0.5032	2.5026	0.5181	2.9031	1.2006	0.6115	0.3642	0.5744	0.3736	0.3019	0.6789	0.7729	1.2472	0.4654	0.4100	0.3538	0.9541	1.4770	1.2277	0.7430	0.9120	2.4688	2.0790	0.8448	1.0254	1.2251	0.9276	0.7820	0.7355	0.7325	0.8477	2.9831	1.1798	2.7322	0.5366	0.7039	1.3504	0.6272	1.1266	1.3919	0.9817	0.8390	0.3277	1.6401	0.6596	0.4794	0.7476	1.2165	0.3884	0.6865	0.7217	2.2467	0.5773	2.9186	1.1487	0.5094	0.5418	0.9582	0.8700	2.4001	0.8806	0.0093	0.9268	0.6797	1.3827	0.9251
eugenol sulfate	1.4972	0.1457	0.1219	0.1953	0.2600	0.1045	0.4655	0.2970	0.2812	0.4401	0.1915	1.0287	0.3802	1.5077	0.5003	4.3895	0.4463	0.1862	0.1627	1.1590	0.5920	0.2082	0.1669	0.2730	0.5759	0.1257	0.8656	0.6508	0.4404	7.7498	1.8271	0.2278	0.1515	0.4217	0.6250	0.1573	3.1507	0.2125	1.7686	4.0383	1.2610	2.6914	0.1184	0.0540	0.1757	0.5334	0.0953	0.4466	1.6693	0.5322	1.1522	0.2989	1.0033	0.6576	0.1829	0.2219	0.1913	0.4629	1.2026	1.6384	1.3613	0.2330	0.0945	0.1997	0.7296	0.5232	0.2643	1.1028	1.6801	0.4575	1.4439	1.0021	0.7309	0.3680	0.1799	0.4031	0.5262	0.1599	0.1104	0.7087	0.8479	11.7216	0.3105	0.0905	0.2114	0.1935	0.0841	0.4318	0.2069	1.5245	0.0960	0.4373	0.2575	1.1449	8.7520	0.1548	3.4486	0.9031	6.2179	2.3872	0.2325	0.6217	0.1431	0.2383	0.1777	0.4979	0.2244	0.2757	0.2449	0.2522	1.2648	0.7033	0.1584	0.6544	0.2169	1.3586	0.1737	6.8207	3.0089	0.0968	1.2127	0.6409	0.1534	0.2548	0.7306	0.2912	0.1246	0.3068	1.4481	0.2061	0.1285	0.1164	0.1647	0.4734	2.8250	0.3517	2.3053	0.3895	0.1593	0.9036	1.4377	0.1329	0.4637	0.0704	0.2721	0.9213	1.7247	1.4337
(+)-exo-5-Hydroxycamphor	0.9320	0.7417	1.2969	1.1534	0.8067	0.7189	1.0607	1.6146	0.9425	0.6156	0.7355	1.0554	1.2166	1.2519	1.4016	0.8918	1.0425	0.2342	0.6954	0.7436	0.6952	0.9266	0.4312	1.0032	0.9767	0.7935	0.9901	1.1776	0.7967	0.8849	0.9356	0.7833	1.8623	1.1768	0.9420	0.8929	1.1296	1.1633	1.0781	0.6469	0.4723	1.0999	0.7066	0.7678	0.9946	1.1592	1.1857	0.8147	0.9315	0.6396	1.0673	0.5620	1.0505	1.0350	0.8726	0.9050	0.8779	0.8973	0.5856	0.9185	0.7547	0.3346	0.7550	1.4210	0.4276	1.0254	0.8388	0.5099	1.4681	1.2684	1.3204	0.9649	0.8913	0.6158	1.0699	0.6177	0.7679	0.9684	0.9791	1.2370	1.2681	1.7617	1.2398	0.6245	1.2843	0.9649	1.9039	0.9624	0.6584	0.5827	0.8477	0.6161	1.2261	1.5609	1.0282	1.0332	1.9511	1.1186	1.2626	0.0167	1.4818	0.9371	0.9291	1.5269	0.9443	0.7219	1.0202	1.2082	0.9434	0.6939	0.8362	1.1997	0.5517	0.6592	0.5735	1.9754	1.4011	0.7238	1.3966	1.1124	1.1838	0.7643	0.8766	0.7671	0.5012	0.8915	1.3399	1.1356	1.2243	1.6103	2.3173	1.0395	1.8881	1.0329	1.0100	1.4446	0.7776	1.5458	2.1828	0.7397	1.1739	0.8119	0.8041	0.0167	0.8292	1.5860	1.3828	0.8885
[FAmethyl(14:0)]12-methyl-tetradecanoicacid	0.7242	1.5267	0.8758	0.8039	1.3939	0.9963	0.7950	1.2853	0.6453	0.4905	1.1938	0.9670	0.6030	1.4331	1.0032	0.4342	0.7445	0.6511	0.6993	0.8004	0.8052	1.0131	0.6185	0.6079	0.6346	1.3639	1.1891	1.7649	1.3122	0.5472	0.5333	1.5204	1.2231	1.8011	0.8557	0.6531	1.4446	1.0072	1.1577	0.4103	0.8380	1.6481	1.2953	1.7718	0.9286	0.5123	0.7622	0.5725	0.9328	0.5201	1.4191	0.9201	0.6523	1.1304	1.3733	1.0643	1.0079	0.5166	1.6075	0.9805	0.6317	0.7094	1.7222	1.2824	1.0876	1.2834	0.7046	0.6431	0.4929	0.7980	0.7252	0.5784	1.6454	1.2094	1.5955	0.4006	0.6688	0.9922	0.6674	0.8321	0.6497	0.9870	1.0205	0.9625	0.7041	1.2434	0.7366	0.6366	0.5245	1.1997	0.7738	0.5591	1.3501	1.9434	0.8213	0.8817	1.7716	0.8603	1.1112	1.5217	1.5302	1.0456	0.9183	0.6691	0.4925	0.9609	1.0000	1.2871	0.7170	0.7470	1.8662	0.9945	0.6291	0.4649	1.0001	1.1683	1.3324	0.4661	0.6094	1.2268	2.0421	0.5273	1.4048	1.3173	0.4644	1.6636	1.7212	2.3055	1.0537	1.5320	1.1932	0.9624	1.4709	0.8712	0.5470	1.1250	0.6154	0.5755	1.0904	0.8774	0.9914	0.6228	2.6412	0.0144	0.8248	1.8962	1.3213	0.7430
[FAoxo(12:0)]12-oxo-10E-dodecenoicacid	0.8566	0.6818	1.7007	1.0103	0.4426	0.4932	0.2583	0.8592	0.4162	0.2266	0.1886	0.8909	0.5479	1.1434	1.2555	1.5970	0.5855	0.6244	0.5203	0.9655	0.5417	0.5599	0.9457	0.6320	0.3891	0.8546	0.5645	0.9323	0.3037	1.4027	1.2904	0.8111	1.0736	1.1644	1.6162	0.6773	1.3024	0.5335	1.5417	0.7577	0.5724	1.3832	0.4033	0.4040	0.8341	0.4948	1.6499	1.6592	0.4124	0.6876	0.4590	0.1874	1.0408	0.3417	0.3606	0.5587	0.5882	1.0541	0.1796	0.3132	0.9360	0.3021	0.6495	0.3843	1.1085	1.3132	1.0463	0.9445	0.5381	0.3430	1.0512	0.7645	0.5600	0.4920	1.0277	0.7930	0.4053	0.2216	0.7561	1.2899	3.5143	11.8996	1.2508	1.2943	0.7937	0.9075	0.4610	0.5075	0.7062	0.4638	0.3937	0.5007	2.9102	4.8777	0.7382	1.0152	0.5320	0.9271	1.0272	0.4252	0.9035	0.7833	1.2359	3.6659	5.1592	0.4246	0.5308	0.9138	0.6584	1.6367	0.5802	0.3160	0.3230	0.9392	0.6095	1.3800	1.2897	4.9338	0.6427	1.0235	1.4853	1.0053	0.2119	0.9882	0.4698	0.9840	0.6277	0.8093	0.4774	0.5921	1.2417	0.9424	0.7048	1.3142	0.9731	1.6663	0.3307	0.4479	1.3387	1.8271	1.2813	0.9459	1.0674	0.0350	0.3610	1.0184	1.2969	0.8979
Fumaricacid	0.9383	1.0880	0.7849	0.8511	0.5481	0.9763	0.5939	1.0612	0.6506	1.4821	0.7672	0.8082	1.3853	0.7184	1.0666	0.8096	1.2376	1.2506	0.8139	0.8076	1.0984	0.6805	0.7388	0.6968	1.1938	0.4988	1.0363	0.8089	0.7563	0.8876	0.7340	1.2257	1.0894	0.8542	1.4106	1.0202	0.9052	1.3825	0.9132	0.6585	1.0978	2.3593	0.8122	0.9777	0.7834	0.8141	0.9479	0.9424	0.8467	0.9103	0.8366	1.0280	0.6992	0.8536	1.0069	1.1963	0.8204	1.0140	1.0363	0.7417	0.7392	2.8223	0.7575	1.1129	0.7042	1.0746	1.0084	0.7849	0.6365	1.0570	0.6633	0.8898	0.7525	0.9549	0.8456	0.7142	0.5548	0.8081	0.6132	1.0991	0.8498	1.5084	1.0544	1.4189	0.8202	1.0934	0.9075	0.7994	1.2565	0.6946	0.6595	1.0804	0.7745	1.0857	0.5978	1.3114	0.7995	0.9428	0.8941	1.0153	0.8854	0.8334	1.2600	0.9342	1.2473	0.8818	0.9930	0.8748	0.8952	0.9311	1.1687	0.8278	0.8748	0.6792	0.7798	1.5347	0.8217	1.9069	0.9380	0.8271	0.8998	2.2918	0.9838	0.6376	0.6183	0.8276	1.0918	0.6415	0.6118	1.4400	0.7943	1.0236	0.9817	1.1951	0.8113	1.1108	1.0902	1.1543	1.0297	1.0764	0.9499	1.0217	0.8547	1.1404	0.9854	1.4828	1.5183	1.0498
gamma-Aminobutyric Acid	0.9120	1.3800	0.8049	0.6595	0.9015	1.6472	1.5112	1.1150	1.6477	0.8602	1.2734	0.8174	1.0043	2.1673	2.3704	0.8542	1.2127	1.1119	1.1556	1.3690	0.9621	1.1881	0.8285	1.2363	1.0365	1.7767	0.6303	1.2626	1.5064	1.6480	1.1514	0.5866	0.5919	0.5717	1.8866	0.9900	1.0545	1.0317	1.2461	0.9374	0.7451	1.0048	1.0247	1.0677	1.8272	0.5448	0.6587	0.6047	1.2318	0.4616	0.8933	0.7015	0.6854	0.7423	2.9434	1.1925	1.2839	0.6010	1.1494	1.2607	1.4999	0.5457	0.7660	0.9690	1.0579	0.5834	0.6658	1.1058	1.1382	0.9149	0.9384	0.7789	1.3362	0.8374	1.4147	0.4145	1.3364	0.8437	0.9525	0.7107	0.7312	1.1338	0.8547	0.9583	1.0813	0.8740	1.5798	1.1876	0.5154	0.9599	1.2138	1.3340	2.2926	0.9447	0.6770	1.6103	0.7789	0.6045	0.9360	0.9220	0.4733	2.7243	0.8844	1.4055	1.0615	0.8583	1.2117	0.7755	1.0046	0.6402	1.0803	0.7845	1.2401	0.7714	0.5658	1.5309	0.9126	1.8013	1.0173	0.6939	2.5527	1.5691	1.0706	0.6097	1.4795	1.1920	1.3335	1.2644	0.8852	2.4589	1.6545	1.3566	0.9652	0.7139	0.9474	1.5772	0.9338	1.7358	1.1302	0.7411	0.8576	0.6940	0.9786	0.0286	0.8013	0.6982	0.7390	0.8368
Garcinia acid	0.9802	1.4153	1.2653	0.7225	0.1024	1.7326	0.8989	1.1093	0.6883	1.4085	0.5525	0.5566	1.0272	0.2644	0.3468	0.4793	1.4912	1.4353	1.5576	0.9256	1.1094	0.1995	1.0927	1.1013	1.1763	0.5032	0.4840	0.1637	0.8285	0.3628	1.6596	0.1799	1.1743	1.7259	0.7464	0.5586	2.1446	1.0043	1.8160	0.9392	1.7610	1.0286	1.1411	1.1457	1.2752	0.9780	0.3462	0.2105	0.3771	0.9248	0.0733	1.2996	0.9127	1.3164	1.4203	1.2949	0.3964	0.1418	1.4341	1.6328	0.5554	1.8310	0.3408	0.3248	0.3288	1.7374	1.6180	0.9964	0.8051	1.1958	0.8151	1.0081	0.9898	1.1557	1.0962	2.0888	0.2091	0.4093	0.1005	0.2739	0.5850	2.0381	0.4486	2.0107	1.1751	1.3433	0.0932	0.5230	1.2184	0.2259	2.3837	2.0946	2.1523	2.3132	1.2418	0.6986	0.8281	1.1701	2.1263	2.0047	0.7881	2.4453	1.4156	1.6937	2.0643	1.5463	2.4471	1.6930	1.2638	1.9697	1.9817	1.4982	0.4294	0.6255	1.3618	1.6922	0.8928	1.3390	0.9522	1.0065	1.2464	2.7814	1.9923	1.1452	0.7479	2.0322	1.1363	2.0350	1.2068	2.9383	1.6529	1.5817	0.9832	2.4184	1.4146	1.1640	0.5495	2.1796	2.3097	1.6123	1.2654	0.7315	2.0212	0.0280	1.8255	2.1260	0.1855	0.1461
Geranylacetate	0.5192	0.8814	0.9953	1.0212	1.2720	0.7137	0.9178	1.3830	1.3160	1.0895	1.1080	1.4227	1.2438	1.8584	1.9667	0.7207	0.9604	0.4244	0.8672	0.4883	0.8020	0.8636	0.8724	0.8657	1.2574	1.1738	0.9124	1.5406	0.9723	0.4187	0.6660	1.2939	1.5830	1.1080	1.6262	1.6553	1.2107	1.5041	0.9908	0.5893	0.3138	0.9638	0.7547	0.8629	1.2107	0.9716	1.3365	0.7031	1.1768	0.5634	0.7669	0.5996	0.9135	1.3330	0.7618	0.9122	1.5693	1.4738	0.2804	0.7659	0.7297	0.6238	0.9911	1.2160	0.7753	1.2626	0.9728	0.9148	1.2295	1.2741	1.3804	0.8537	0.6880	0.9209	0.9462	0.6872	0.7405	0.9894	1.0991	1.4979	1.2144	1.6980	1.9282	0.4884	1.6673	1.6822	1.4544	1.3738	0.6833	0.5899	1.1448	0.7821	1.1633	1.6090	1.0078	1.3870	1.8313	1.0370	1.3756	1.2813	1.6079	1.1644	1.7202	1.0331	0.8665	0.6848	1.0045	1.2276	1.0953	0.6948	1.2804	1.1033	0.9401	0.7096	0.7586	1.3867	1.7010	0.7360	1.5955	1.0944	0.8994	1.2452	0.8888	0.7563	0.3874	0.9269	1.6273	1.4289	1.8304	1.3318	2.2610	1.0191	2.0517	1.0253	1.0637	1.3915	0.7350	1.0692	1.6321	1.3808	0.9293	1.0016	1.0063	0.0049	0.9928	1.6838	0.7521	0.6755
Glutamic Acid	1.2485	1.2811	0.8227	0.5142	1.1206	1.3526	0.5036	0.5220	0.8305	0.4834	0.8283	0.9191	0.8735	0.4528	0.6722	1.3045	0.5843	2.7498	1.1376	1.1145	0.5334	0.6056	0.4628	0.7201	0.3291	1.6454	1.1931	1.4576	0.9002	1.3317	0.9814	0.8116	0.7363	0.9018	1.5480	0.6937	0.9762	0.5995	1.2101	0.5502	1.6273	1.2878	0.6080	0.4603	0.7034	0.3956	0.7769	0.6735	0.9328	0.7061	0.9839	0.6569	0.9678	0.7781	1.3985	0.9671	0.8261	0.4345	2.0833	0.6121	1.0062	1.0936	0.9427	0.5566	0.7719	0.7311	0.8315	0.5179	0.5487	0.5668	0.6416	0.5720	1.6750	0.9598	1.0215	1.1437	1.5312	0.5912	0.8325	0.5142	0.6832	2.5297	1.2150	1.2360	0.9074	0.7535	0.4736	1.1164	0.4607	1.7865	1.1607	0.6739	0.8229	0.7310	0.9523	1.1767	0.5910	0.5010	0.6966	0.5968	0.4764	1.7683	0.7274	1.1139	0.9039	1.0770	0.7262	0.8825	0.6151	0.7401	0.8503	1.1245	1.1388	0.8211	1.3939	0.7519	0.8071	1.0032	0.7884	0.7071	0.6437	1.1689	0.7314	0.4975	0.7146	0.7701	1.5245	0.6603	0.6364	1.0568	0.4431	0.3427	0.4199	0.5858	0.4967	0.6552	0.7066	0.6201	0.6947	0.4765	0.5646	0.4251	0.4222	0.0005	0.4334	0.3053	2.3623	1.4102
Glycochenodeoxycholic Acid (sodium salt)	0.8010	2.6242	0.1060	1.7185	0.3787	0.5544	0.2009	0.5076	0.1505	0.1312	0.4361	0.2768	0.4784	0.3275	1.9716	0.3103	0.7265	1.7754	0.1589	1.0403	0.5018	0.5363	1.8003	0.6067	2.7989	0.3809	0.5506	0.9240	0.4700	0.5106	0.7335	0.6050	0.2310	1.7488	0.3045	1.0294	0.1063	0.3153	1.0892	0.8997	0.5785	4.1621	1.3826	0.5364	2.6875	2.5040	0.9671	3.9634	0.9116	0.9525	1.1138	1.0675	0.4279	0.3048	0.5993	0.6258	0.0966	0.3249	0.5670	5.0970	0.6310	1.3887	0.1471	1.9257	0.2877	5.5210	2.7934	2.4953	0.6541	0.4192	0.4768	0.6207	0.5647	0.1809	0.2614	2.0478	0.3261	0.4218	1.0506	0.7328	0.2311	0.1382	0.1000	1.6108	0.3630	1.0660	2.7574	0.8109	0.3482	0.1349	0.3820	4.2800	0.0190	1.3598	0.6263	0.5224	1.2105	10.3869	0.1119	0.2523	0.5741	0.3787	0.0718	0.1252	0.0436	0.9437	1.2321	1.1119	3.8245	0.1335	1.7937	2.0060	1.0319	0.6182	0.2659	0.6069	0.6381	0.5867	0.3393	0.0369	1.2614	1.2619	0.1465	0.1651	0.9831	0.1298	0.1151	0.1758	0.1528	0.2908	0.7527	0.0924	0.5086	0.4012	0.3691	0.2030	0.1170	0.1211	0.4387	0.7014	0.2179	1.0215	0.5877	0.0047	0.0985	0.1793	1.8778	1.1039
Glycocholic Acid	0.5676	0.8084	0.1766	1.1353	0.4228	0.4886	0.0883	0.2950	0.1335	0.2749	0.1123	0.5377	0.4587	0.3552	1.2897	0.5161	0.6856	1.7443	0.1363	1.8815	0.3448	0.3286	1.3551	0.9843	1.2643	0.3392	1.3204	0.4888	0.4424	0.6176	0.9751	0.4409	0.3676	2.4452	0.1582	0.5256	0.1559	0.2062	1.0094	0.6425	1.6693	7.2447	1.0942	0.2377	0.9786	4.2157	1.0371	7.0928	0.7184	0.9727	0.5720	0.7501	0.5113	0.9035	0.5932	0.7925	0.1196	0.5945	0.8725	10.7616	0.4551	2.5186	0.3892	0.7713	0.3474	8.0642	3.5617	2.5306	0.6633	0.6999	0.1735	0.5053	0.8820	0.3015	0.4321	2.3408	0.3868	0.4773	0.8617	1.0304	0.2344	0.2032	0.2273	1.7938	0.6781	1.2914	0.5767	0.3921	0.4007	0.1562	0.2700	1.2655	0.0313	0.3750	0.9243	0.9556	0.9140	3.6128	0.1476	0.7925	1.4919	1.0464	0.2545	0.0527	0.0782	0.7488	1.3802	1.6536	3.1784	0.2140	1.8355	2.1751	0.2854	0.7616	0.3032	0.7446	0.3082	0.7072	0.3077	0.0735	1.8570	1.1719	0.2929	0.2304	0.9057	0.0810	0.0879	0.2325	0.1285	0.2339	0.4649	0.0609	0.1661	0.9829	0.6865	0.2189	0.3848	0.3373	0.4362	1.4998	0.1821	3.9668	0.6586	0.0080	0.1886	0.1955	1.5071	0.8114
glycodeoxycholic acid	0.9533	2.2607	0.0900	1.4961	0.3766	0.5090	0.2341	0.6141	0.1954	0.1553	0.3963	0.3198	0.4384	0.3740	2.2180	0.3027	0.6825	1.7353	0.1557	0.9906	0.4062	0.5426	1.6164	0.5774	2.5639	0.4592	0.5524	0.8172	0.5290	0.4379	0.6984	0.6357	0.2274	1.8288	0.2625	0.8964	0.0740	0.2945	1.0849	0.6938	0.5233	3.6850	1.3103	0.4902	2.3759	2.3504	0.9216	4.1174	0.7984	0.8186	1.1838	1.1850	0.3691	0.2873	0.5540	0.5770	0.0798	0.3633	0.5849	5.1558	0.5940	1.2993	0.1526	1.6517	0.2720	5.3406	3.0163	2.3982	0.6102	0.4113	0.5010	0.6107	0.4507	0.1720	0.2491	1.5957	0.3337	0.3629	0.9980	0.7880	0.3347	0.1801	0.1710	1.3601	0.7441	1.2411	3.5281	0.7349	0.3107	0.1928	0.4920	3.9856	0.0199	1.2629	1.0799	0.4714	0.9624	9.1850	0.1959	0.4455	0.6408	0.5530	0.0852	0.2302	0.0391	1.1163	1.4562	2.0819	4.9065	0.1513	2.2283	1.9913	0.8704	0.6364	0.2737	0.8346	0.5826	0.6481	0.3209	0.0448	1.1419	1.3730	0.1565	0.1863	0.7736	0.0984	0.1019	0.2137	0.1597	0.3554	1.1193	0.0865	0.6386	0.4411	0.3747	0.2622	0.1743	0.1195	0.6784	0.8607	0.2240	1.4976	0.6110	0.0046	0.1230	0.2066	1.7745	1.3391
guaiacol sulfate	0.9424	1.1404	0.6158	0.7626	1.1402	0.7338	0.2789	0.3034	0.2723	0.3406	1.4450	0.7605	0.3081	0.4044	1.6538	1.0695	0.6242	1.7642	1.2202	0.3752	0.5516	1.5392	1.7370	0.1959	1.3532	0.2751	0.1468	1.5493	1.9158	0.7588	2.5206	1.8253	0.0892	0.7974	0.6409	1.3162	2.9654	0.7895	0.3231	0.7322	1.3688	1.6287	2.1174	3.7424	1.1583	2.9573	0.5661	0.7894	0.1048	0.2337	1.4736	1.4281	0.1340	0.7500	0.5618	2.1505	0.5597	2.0026	0.3073	0.6149	0.9041	0.2404	0.2484	0.0294	0.7452	0.1133	0.8489	2.8052	1.1688	0.3436	0.3784	0.7314	2.0950	1.0341	0.7661	0.7466	1.2221	2.3263	0.6431	0.4823	0.5813	3.4315	0.5263	0.3690	0.6127	2.0744	0.0688	0.8675	1.6859	0.7145	0.3685	0.5238	0.7490	0.7894	0.4606	0.5318	0.4783	0.5239	0.4013	0.3114	0.8845	0.3672	4.9341	0.3304	3.2720	0.3147	2.1449	1.0837	0.7421	1.0492	1.3647	1.2674	1.5223	1.1747	0.8419	0.8943	1.0393	7.3662	2.4299	0.2708	1.4953	2.2783	2.1477	1.9137	0.2066	0.3574	0.0143	0.9057	0.0957	2.1805	0.2268	0.6757	0.5155	0.4762	0.1283	0.7958	3.0727	0.9017	1.4010	0.6872	0.9033	0.3422	0.7398	0.0030	0.3662	1.0841	0.9738	1.2546
Harzianoic acid A	1.1401	0.8809	1.4696	1.0276	0.5838	0.8418	1.2995	0.8410	1.0216	0.4050	1.0940	1.1087	0.5602	1.0350	1.1033	1.2118	0.3582	1.0457	1.3045	0.6853	0.9121	1.3174	1.4903	0.7928	0.4689	0.5161	0.9656	1.0935	0.7033	1.4155	0.5447	1.3120	0.8769	0.5913	1.6370	1.3491	1.3650	1.5149	1.9045	1.5279	1.9665	1.0019	1.2013	1.3349	1.0439	1.1996	0.6267	0.5072	0.9143	0.9980	1.4106	1.1830	1.1152	0.8129	1.3726	1.8903	0.7577	0.5477	0.7660	0.6634	1.3602	0.5113	0.7094	0.7918	0.9443	0.8988	0.7657	0.7070	1.9839	0.7282	1.0223	0.6954	1.6121	0.3640	1.2024	1.3789	0.7879	1.1110	1.7222	1.3494	2.3732	1.2045	0.8077	0.7702	0.5430	0.5836	1.1598	0.7451	0.5556	1.0443	0.7322	0.4247	0.9685	0.8533	0.8528	0.5778	0.9285	0.7941	1.9890	1.5760	1.2082	0.6500	0.4791	1.2978	1.3052	0.9150	0.6781	0.8092	0.5282	1.1786	0.9619	1.3280	0.4640	0.9172	1.7560	1.2366	1.5199	0.6516	2.6813	1.1220	0.5295	1.0661	1.1176	1.6774	0.9647	0.5463	1.7279	1.0895	1.2679	1.0117	0.6540	1.1627	0.8955	1.2453	1.1365	1.1543	1.1616	1.5115	1.0507	1.6056	1.7774	1.4073	0.7697	0.0037	0.8379	1.0458	1.0416	1.1016
Heptan-2-one	0.4439	0.4226	17.4271	4.2772	0.4430	0.2291	0.5227	2.9383	1.7929	0.3958	0.2757	0.2123	0.4175	0.3168	1.5548	0.1325	0.2119	0.3089	0.2262	1.2589	0.3855	0.9711	0.0829	0.1312	0.7835	0.4387	0.5276	0.0537	0.4418	0.1225	0.2341	0.5721	0.1873	0.0996	0.2375	0.3883	0.2186	0.3621	1.6181	0.0492	0.3700	0.2730	0.1491	0.2337	0.7246	2.1312	0.2275	0.1738	1.1030	0.4264	0.4527	0.1361	1.9027	1.3893	1.4777	0.3707	0.5400	0.9652	0.2472	0.3551	0.2886	0.4441	1.0518	2.0589	0.1090	0.1763	0.1579	0.1778	0.3629	0.1389	0.1137	2.1444	0.0747	0.3565	0.2570	0.5006	0.2191	0.7481	0.2982	0.9265	0.2763	2.2656	0.4976	0.5254	0.3168	0.6666	0.6954	1.2402	1.6352	0.3169	0.4503	0.2414	0.8035	2.1850	1.5716	6.4559	0.6186	0.2509	0.2046	0.6390	0.3960	1.5774	1.3225	1.5404	1.8662	0.0806	0.1701	0.2368	0.3843	0.3661	0.2608	0.5844	0.2981	3.9311	1.3548	2.1281	0.2078	0.3767	0.3958	1.0570	0.8973	1.5903	1.0481	1.2825	0.2294	0.9906	0.3344	0.3141	0.1208	0.8197	0.5377	2.3568	0.2515	0.5044	0.2544	0.5629	0.3633	0.1160	0.1761	0.8751	11.4356	0.8394	0.4599	0.0560	0.2959	0.3292	1.1973	9.2359
Hexadecanoicacid	0.5857	1.1699	0.8879	1.0012	1.1344	0.9751	0.6612	0.9868	0.8290	0.7230	1.2331	1.4400	0.9510	1.5086	1.3219	0.7081	0.8814	0.7509	0.6919	0.6755	0.7287	0.8988	0.6731	0.6522	0.7898	1.5604	1.1111	1.3757	1.1160	0.4048	0.4592	1.2366	1.5196	1.5983	1.4051	0.9479	1.3269	1.0099	1.0361	0.5613	0.7124	1.5419	0.6919	0.9305	0.9950	0.5931	1.1760	0.4609	1.0927	0.6223	1.1773	0.8222	0.7394	1.2985	0.9341	0.8981	1.2858	0.8023	1.8503	0.9746	0.6911	0.8391	1.2100	1.0554	0.7270	0.9705	0.6892	0.8510	0.6097	0.8874	0.8360	0.6693	1.1890	0.9198	1.0185	0.6617	0.7808	1.0361	0.5300	0.7986	0.7285	1.2424	1.6003	0.6611	1.1630	1.5296	0.9719	0.6831	0.5810	0.9791	1.1088	0.7573	1.6491	2.1034	0.8879	1.0736	1.5214	0.8324	1.0550	1.1129	1.3358	1.1205	0.9611	0.7408	0.6085	0.9261	1.0286	1.4539	1.0427	0.6207	1.1609	1.0042	0.9019	0.5772	0.7996	0.9053	1.3338	1.0675	0.7327	1.2196	1.1873	0.7460	0.8031	0.9462	0.3754	1.3620	1.4669	2.3035	0.9826	1.3418	1.1817	0.9947	1.2285	0.6476	0.5112	0.8263	0.5015	0.7116	1.4091	0.7267	0.7116	0.5996	2.0565	0.0048	0.5891	1.1083	1.4979	0.9757
Hippuric Acid	0.4146	1.0921	0.2062	0.4853	0.6263	0.3451	0.3588	0.6219	0.1462	0.0880	1.8511	0.5758	0.7196	0.1772	0.4920	0.2648	0.5152	2.0579	0.3464	0.1838	0.4050	0.6446	2.3066	0.5723	0.4848	0.1025	0.1681	0.7206	3.0826	1.2057	2.1205	0.5587	0.1649	0.5747	0.2909	0.5632	1.0911	1.4899	4.3590	4.5236	3.1855	4.0535	2.1797	3.2833	0.3986	0.3179	0.2388	0.6035	0.2369	0.1400	1.5843	3.3456	0.1173	0.3122	0.9178	0.5287	0.4335	0.8434	1.2017	0.8745	1.0939	0.9846	0.8984	0.1285	2.6983	0.1937	2.3705	1.2104	1.9978	0.3924	1.3289	0.5434	9.6690	1.3621	0.2350	0.3448	2.0676	0.9509	0.1416	0.3650	1.7473	1.2148	0.3054	1.0629	0.6842	0.2632	0.1204	0.6344	0.4193	1.0901	0.1654	0.7593	0.2154	0.3424	0.0990	0.5013	0.3675	0.1499	0.1868	0.8717	0.6257	0.1063	0.4857	0.5681	0.6328	0.3974	5.6871	0.1545	0.4034	1.8747	0.5862	0.2694	1.0855	0.1380	0.8053	2.9442	2.2247	0.6598	0.3636	0.4274	0.8436	1.9396	2.2859	0.9643	0.2967	4.8184	0.0830	0.2031	0.0488	0.2752	0.3419	0.8061	0.2474	3.7932	0.4180	0.6779	0.9485	1.8982	1.0240	0.5206	0.2976	0.5405	0.2951	0.0036	0.1580	1.1808	1.3419	0.9067
Imidazol-5-yl-pyruvate	1.1313	1.0728	0.9840	0.8886	0.8218	1.1357	0.6612	0.7640	0.9512	1.2850	1.3418	0.7524	1.1194	0.8700	1.0419	1.0516	1.2097	1.9643	1.5574	0.9188	1.0120	0.9108	0.9581	0.8118	0.7968	0.5977	0.9714	1.3918	1.4209	1.0405	1.2035	1.8431	0.8567	0.8747	1.6895	0.9269	1.2134	1.2606	1.4500	1.1565	1.6547	1.4839	1.0004	1.0781	1.3726	1.3940	0.7727	0.8367	1.1181	1.0780	1.6336	1.4332	0.7774	0.9498	1.9688	1.8635	1.1316	1.1870	1.0779	1.4442	0.9371	1.0339	0.8300	1.0341	1.0038	1.2296	0.8531	0.8005	0.7784	0.9381	0.9887	1.0009	1.2711	0.8325	1.0256	1.1144	1.1800	1.2957	0.9522	1.0708	0.8307	1.0806	0.7148	1.3046	0.6529	0.9526	0.7647	0.8568	0.8430	0.9862	0.9389	0.9328	1.0424	1.1758	1.1272	1.3653	0.8264	0.8355	1.2402	0.9994	0.9990	1.3097	1.1507	1.0315	1.1116	1.0320	0.9957	1.0570	0.9795	0.8290	0.9786	1.0497	1.0498	1.0990	1.0997	1.0216	1.1837	1.4800	1.0746	0.8314	0.6981	1.2507	1.1507	1.1712	1.2196	1.0875	0.9962	0.9470	0.6430	1.2656	0.7329	0.9039	1.0126	1.1119	0.7914	1.0625	1.1640	1.0931	0.9905	0.9602	1.2016	1.2086	1.1396	0.0504	1.0414	0.9717	0.8697	1.0377
Indole-3-pyruvicacid	0.9430	0.6507	1.3861	0.5093	0.6797	0.7315	0.7191	0.4551	0.5610	0.6960	0.8199	0.7941	0.5396	0.6852	0.6838	2.4330	0.6617	0.5195	1.1785	1.1789	1.3518	1.2399	1.3221	0.5718	0.5148	0.6470	2.0990	1.0326	0.9773	1.5084	0.9946	0.7575	0.7162	0.6363	2.2758	0.9350	1.4989	0.7917	1.5681	1.3779	0.9004	0.6038	1.1596	1.1790	1.4758	1.0438	0.9096	1.0499	1.7503	1.6476	0.9758	1.1787	1.6818	1.0163	1.1638	1.2546	0.5618	0.3956	1.4077	0.9823	1.3872	0.5772	1.2382	0.8394	1.2317	1.2533	1.2077	0.9712	0.8011	1.1122	0.6698	0.5245	1.2091	0.4755	0.6362	1.3521	1.0436	0.7258	1.2460	1.3417	0.8562	0.7534	1.6627	2.9396	1.6582	0.4832	0.9489	1.4929	0.9139	1.7171	0.8648	0.9267	1.2363	0.9827	1.0620	0.8616	1.0474	1.0296	0.8106	1.2598	1.1122	1.2571	0.8995	0.9339	1.4416	1.6301	1.3583	1.7026	1.2172	1.0970	1.1942	0.4689	0.3525	0.9713	1.7103	1.8048	1.2537	1.7831	1.7998	0.9151	1.7009	2.8088	1.8547	3.3476	1.3243	1.1586	0.9283	1.0573	0.7899	1.4350	0.7980	1.9215	2.6994	2.0767	1.5580	2.6307	1.7570	1.6099	1.0484	1.6392	1.1309	2.4682	1.7647	0.0125	2.3733	1.5624	0.0248	0.8685
Indoxylsulfate	0.6581	0.9038	0.6912	0.6533	0.7565	1.0789	1.1650	0.9026	0.4584	0.6831	0.7941	0.7258	0.7794	0.4265	1.0429	0.3533	1.1258	1.3219	0.8514	0.5352	1.8467	1.4982	2.0359	0.0252	0.2957	0.4540	0.5857	0.4221	1.4741	0.5842	0.6498	1.0981	0.6326	1.2486	1.4951	0.6532	1.1907	0.8320	0.8405	0.9690	2.3776	3.0688	0.7389	1.2842	1.3964	1.3719	1.0286	1.0009	0.6877	1.7964	0.3387	0.8658	0.5185	1.5585	2.2992	3.7826	0.3597	1.5939	0.3754	1.0979	1.6378	1.5031	0.6962	0.4154	0.3469	0.3070	0.4033	0.4857	1.0257	0.8053	0.6876	0.8903	1.0393	0.7359	0.9671	2.0249	1.3731	1.1114	0.8797	1.4344	1.2525	1.1810	0.5358	0.6903	1.0346	1.5176	0.3814	1.1604	1.3171	1.4345	0.5542	1.3271	0.7290	0.8492	0.7022	1.8151	0.3060	0.8068	0.7339	0.8144	1.6294	0.4110	2.0409	1.3197	0.4895	0.8774	1.3434	0.8578	0.9789	0.7593	1.3607	2.1255	1.5284	1.5173	1.5666	0.9936	0.7988	3.4339	1.8861	0.8248	1.8556	0.8170	1.2684	1.2030	0.7778	0.9808	0.2313	0.2428	0.1882	1.5254	0.4925	0.3219	0.8561	1.5345	0.8675	2.2574	1.7095	0.7117	1.0506	0.6792	0.9755	1.8348	0.7536	0.0004	0.6410	0.7688	1.1447	0.8086
L-2-Amino-3-oxobutanoicacid	0.6646	0.8204	1.3268	1.1749	0.2661	1.2490	0.7461	0.5357	2.3589	2.2823	0.3977	1.0521	2.0468	0.7995	0.9030	0.6023	0.7718	0.6442	0.9325	0.5936	0.7012	0.6628	1.4013	0.5527	1.0822	0.5251	0.5922	0.6812	0.7284	0.3281	0.5172	0.8927	0.3907	0.8626	0.7149	0.5489	1.5193	1.8588	0.6043	0.8229	0.6703	0.9865	1.9158	2.2519	1.0786	0.5805	1.1476	2.2050	0.8202	0.4848	1.1778	2.8288	0.3843	1.1280	2.5262	2.2119	0.3695	0.5257	0.6339	0.9460	0.3834	1.0046	0.3462	1.2874	1.6293	1.0209	0.5052	1.0169	1.2307	2.3799	0.4570	0.3877	0.8287	0.5713	0.7593	1.0565	0.4498	0.5526	0.5050	0.8762	0.8862	1.6065	0.2426	6.3499	0.2554	1.4654	0.9929	0.6477	1.0482	0.5987	0.6501	0.9454	1.6601	0.9394	0.5596	1.7580	0.9568	0.7588	1.1229	0.5971	1.0731	3.2426	1.2832	1.2244	1.3069	0.5873	0.7642	0.7268	1.3374	0.9568	0.8475	0.9314	0.8858	0.9976	0.7987	0.6721	0.7290	2.6228	1.0293	1.1357	4.3732	1.0687	0.9645	0.6695	1.0965	1.5111	1.0022	1.4944	0.5482	1.8705	2.4299	1.9947	1.3075	0.5495	1.2068	0.6901	0.7557	0.4591	0.7363	0.9069	1.3147	1.5690	0.8153	0.0284	0.7154	1.0058	0.8036	1.4509
Lauric acid	0.3322	0.5074	0.9710	0.4220	1.4295	1.3647	0.9809	1.2781	0.4384	0.3079	0.6519	0.8013	0.4813	1.2419	0.6656	0.4067	0.3789	1.0135	0.5800	0.9161	0.8892	0.6056	0.7661	0.7021	0.6238	0.8924	0.7508	1.5160	0.9377	0.3471	0.2093	0.6874	0.7814	2.0599	1.1024	0.4765	1.3550	0.6572	0.3523	0.2900	1.1211	4.8253	0.5615	1.2064	1.0312	0.8203	1.1276	0.3214	0.4579	0.2453	1.3247	0.7109	0.6127	0.9517	0.7940	0.8403	1.3535	0.3496	1.3495	1.6379	0.6733	0.3952	3.4617	0.8747	1.9013	1.6635	0.5774	0.4419	0.5992	1.1805	0.7844	0.3354	0.6999	0.7281	0.7142	1.0383	0.5840	0.8351	0.8522	0.6831	0.6070	0.7822	0.7510	0.6250	0.4137	1.1578	0.5886	0.5798	0.5141	0.7152	0.7212	0.4055	1.9404	2.8713	0.5643	0.4950	2.0832	0.6948	0.7173	1.3393	1.7603	0.6303	0.6211	0.7449	1.3495	0.7303	1.5158	4.7547	0.6507	1.1021	1.5069	0.7001	0.3487	0.2721	1.0309	1.1198	0.9595	0.3203	0.7200	1.4098	3.2343	0.5941	1.2101	0.7247	0.1378	1.5092	1.1955	2.2140	1.0778	1.8400	1.5714	0.7133	1.4050	0.6162	0.4745	1.7284	0.3535	0.4359	1.0856	1.4242	0.9183	0.6824	2.8898	0.0456	0.8166	2.7703	1.4939	0.7540
L(+)-Citrulline;2-Amino-5-uredovalerate	1.1641	1.2652	0.7786	1.7555	1.2691	1.6033	1.2455	0.6163	1.3223	0.4591	1.8761	1.2720	1.3673	1.2011	0.5422	1.7164	1.6194	1.6972	3.5653	0.5744	1.9547	0.8545	2.1212	1.9896	0.6482	1.1980	0.7541	2.4433	1.8214	3.2889	3.1280	1.4106	0.9541	0.9622	0.8580	3.0037	2.2938	2.8099	1.3110	4.1719	2.1009	3.1843	2.3991	2.9114	1.4942	1.4465	0.7031	1.5252	0.6616	0.5660	2.0500	3.3366	0.9852	1.1746	2.4734	2.9075	1.5317	1.6870	0.8629	2.9213	2.2843	3.1435	1.4778	1.2093	1.5747	1.1788	1.3624	2.2274	3.3253	1.0643	1.6738	1.5227	1.1191	2.0851	2.4374	1.1014	2.6497	2.8841	2.0301	1.0354	0.2040	0.1606	0.1180	0.5756	0.1078	0.3108	0.1361	0.3299	0.2192	0.2646	0.1328	0.4673	0.1602	0.0974	0.1337	0.3009	0.2650	0.2332	0.1364	0.0922	0.1688	0.1323	0.2187	0.1166	0.7867	0.2454	0.2007	0.1218	0.3142	0.4439	0.2937	0.3273	1.4565	1.8061	0.6957	0.1476	0.3467	0.4166	0.7084	0.1227	0.3260	0.1992	0.2745	0.4114	2.1058	0.3122	0.4786	0.3380	0.4030	0.4502	0.2677	2.2257	0.0959	0.3734	0.2187	0.1518	0.2298	0.3141	0.2606	0.2298	0.3779	0.1707	0.3238	0.0040	0.2882	0.4152	0.4813	1.1425
L-Cystine	0.9957	0.9313	0.9182	0.3650	0.2355	0.8523	0.7807	1.0673	0.8950	0.9924	0.9968	0.2146	1.1356	0.5990	1.6600	0.6515	0.9414	0.6354	0.9926	0.7066	0.4179	0.3704	0.5535	0.6635	0.9257	0.5879	0.8699	0.9267	1.1441	0.6659	1.3332	2.6031	0.7867	0.8177	0.5720	0.3655	1.3029	0.5227	1.5726	0.6377	0.6020	0.2829	0.5334	0.3244	0.4496	0.4226	2.5929	1.9253	1.9841	0.9292	1.0160	2.2613	0.3839	0.5620	2.3963	2.0064	1.6305	0.9276	0.5633	0.3879	0.4951	0.3495	0.3385	0.2682	0.4055	1.1161	0.9159	0.6559	0.2588	0.9115	0.2670	0.2458	0.8035	0.4639	1.0385	0.9487	0.6102	0.7893	0.8805	1.3594	1.0163	1.6276	1.5642	1.5696	1.2068	1.3591	1.5502	1.3605	1.1707	2.6160	1.5901	1.2972	1.4059	1.1488	1.2624	2.6083	1.8374	1.2940	1.6197	1.2687	1.1162	2.0058	1.5605	1.5250	1.4695	2.0189	2.5194	1.6736	1.3245	1.8585	2.6925	0.8789	0.5962	0.4449	1.9893	1.3766	1.6802	1.3423	1.3258	1.1050	1.4156	1.8488	1.3544	0.8372	0.7088	2.1300	1.3188	0.9244	0.7853	2.0665	1.2490	1.2821	1.2303	0.9738	1.3896	0.9002	1.6167	1.1345	1.2472	1.6044	1.2790	1.5609	0.9296	0.0130	1.3101	1.0183	0.5137	0.4596
Limonene-1_2-diol	0.5164	0.6243	0.9331	0.9929	0.8762	0.7975	1.0427	1.7711	1.1504	0.7752	0.7857	1.4237	1.4266	1.9064	1.6240	0.4738	0.7891	0.3682	0.6511	0.5689	0.6249	0.8257	0.6732	0.6881	0.9223	0.9391	0.9518	1.2978	1.0299	0.4773	0.6187	1.1330	2.0387	1.5764	1.0537	0.9103	1.2962	1.5895	1.1543	0.5738	0.4348	1.1284	0.7080	0.8281	0.8177	0.6236	1.9663	0.6219	0.9880	0.4094	1.0798	0.6995	0.6733	0.9184	0.8585	0.8686	1.1287	0.9746	0.5230	0.8373	0.5481	0.4298	0.7533	2.3862	0.5968	1.2052	0.7052	0.6144	1.0981	1.3006	1.5961	1.1090	0.7190	0.7925	1.1646	0.5633	0.7577	1.1032	1.0131	1.3844	1.1070	2.7296	1.4419	0.4791	1.3904	1.0716	3.1169	0.9609	0.6994	0.5631	1.5473	0.6379	1.2059	1.7127	0.9925	1.6179	2.9000	1.4020	1.5973	2.0167	1.4360	1.0030	1.4025	1.0256	0.7338	1.2620	2.4924	1.4268	1.3363	0.5789	1.3760	1.1166	0.6093	0.5813	0.6027	1.1445	1.7457	0.6764	0.9284	1.1205	1.3540	0.8129	0.8341	0.7060	0.3115	0.7550	1.2335	1.4165	1.2074	1.4154	3.8278	1.1140	2.4475	0.8147	0.6549	0.9917	0.4807	1.0083	2.5414	0.9174	0.8605	0.5703	0.9985	0.0034	0.6519	1.1349	0.8386	0.7736
L-Isoleucine	0.8770	0.7201	1.0395	0.7143	1.1751	1.3468	0.9772	0.7209	1.2545	0.9505	1.3304	1.0119	0.9836	1.3994	1.6039	1.2463	0.9024	1.3262	0.8529	1.2236	0.9583	1.2379	0.8896	0.9720	0.9668	1.4474	1.1920	1.0101	1.0178	1.3111	0.8690	0.8315	0.8111	0.6926	1.4788	0.7978	0.9664	0.8522	1.2393	1.0577	0.9785	0.8523	0.7613	0.8143	1.1261	0.6473	1.0462	0.7875	1.3925	1.0342	0.9306	0.7803	1.1375	0.9268	1.7650	1.2844	1.1115	0.8509	1.1567	1.1708	1.2533	1.1850	1.1711	0.8009	0.8545	0.8846	0.7905	0.6472	1.0188	0.8266	1.2798	1.0390	1.4486	0.6454	0.9040	1.0921	1.2749	1.0846	0.8914	0.8476	0.9120	1.0208	1.8317	1.3359	1.5176	0.8920	1.1180	1.5310	0.8297	1.5923	1.3617	1.0595	1.1564	0.7076	0.9353	1.5138	1.0262	0.6253	0.6796	1.2205	0.9455	1.6038	0.9520	0.7874	0.9143	1.3298	1.0559	1.0369	0.8465	0.7425	1.0358	0.8962	1.1353	0.8803	0.9809	1.1306	0.9085	1.3793	1.1503	0.8014	2.1086	1.6927	1.0026	0.9178	1.2832	1.1307	1.2079	0.9641	0.8315	1.1598	1.0503	0.8218	0.8148	1.0350	1.0532	1.3601	1.2737	0.9651	0.9202	1.0228	0.8511	1.0686	0.8732	0.0043	1.0484	0.8698	1.0336	0.9215
Lithocholic acid	1.0359	0.8607	0.1911	3.9873	1.0913	0.3622	0.3691	0.5606	0.5077	0.7030	0.4683	0.1989	0.7762	0.3319	0.1795	0.1933	0.3430	5.3059	2.4921	0.2276	1.8770	2.0093	2.0965	0.1483	0.7842	0.1833	0.3495	1.0645	0.4203	0.7315	0.6102	5.9746	0.1759	0.1417	0.3045	0.1307	0.2866	0.5085	0.1867	0.4034	0.8121	2.3156	0.8615	2.1648	0.6304	0.3262	0.3692	1.8626	0.7747	0.1653	1.9767	0.4991	0.1689	0.1856	1.9130	2.9767	0.9082	2.5207	0.2973	0.1652	2.3611	0.2306	0.2876	0.1475	0.1561	0.1493	2.0141	0.8762	1.4469	1.2400	0.9653	1.2199	0.2869	0.3394	0.8171	0.4206	1.8966	1.9681	1.1625	1.2587	0.4747	0.9778	0.2923	0.2858	0.1871	0.2687	0.2107	0.2123	0.4911	1.2235	1.9424	4.2937	0.2850	2.6846	0.7252	0.6793	0.2097	1.6747	0.3143	1.7715	3.5187	0.2194	0.5521	2.1307	0.2161	1.0867	0.9083	1.2254	1.0574	0.7132	0.2657	0.1823	0.2256	2.2053	1.3939	0.8881	3.4748	0.9160	5.2377	0.1886	0.2779	0.5746	1.7955	0.8066	0.3417	0.3775	0.1889	0.3344	0.3771	2.7408	1.3091	1.2152	1.1701	1.3641	0.9637	0.9480	0.9294	0.8025	0.8590	1.7266	1.4697	4.4855	0.1935	0.1161	0.2178	4.4233	0.9434	0.5111
L-Methionine	1.0098	0.8085	1.0053	0.7484	0.8684	0.8175	0.9978	0.8311	0.8358	0.7504	0.7984	0.7868	0.7480	0.9701	0.9732	1.3539	0.7631	0.9565	0.7821	1.5316	1.2971	1.0212	0.8852	1.1806	0.8155	0.7727	0.9215	0.8888	0.7002	1.6330	1.0556	0.7878	0.8592	0.6636	0.9402	0.7553	0.9321	0.8565	1.1243	1.2652	1.0404	0.8777	0.9093	0.8953	0.8959	0.8096	1.1190	0.9497	1.6077	1.2026	0.9958	0.7801	1.3153	1.1147	1.0558	1.1251	0.9091	0.9310	1.6508	1.1260	0.9812	0.7946	1.0766	0.7411	0.7416	0.7212	0.9023	1.0558	1.3412	1.0814	0.9830	1.0473	0.9200	0.7922	0.7557	1.3970	0.9274	1.0333	0.9592	1.1522	0.9335	1.4752	1.3480	1.4975	1.1220	0.7991	1.2230	1.1065	1.3079	1.3038	1.0761	1.1246	0.7585	0.7450	0.9667	1.1377	1.2550	0.8373	1.3773	1.1210	1.1492	0.8939	0.9194	1.2188	1.0607	1.3628	1.1005	0.9340	1.0118	0.8696	1.0164	0.8881	0.5962	0.9294	1.0879	1.2392	1.2380	1.1134	1.4966	0.7582	0.7886	1.8801	0.9851	1.0985	1.0731	1.2708	1.1359	0.8064	1.1012	1.1654	1.5887	1.0249	1.4422	1.2668	1.5277	1.7947	1.3367	1.0932	1.2992	1.1845	0.8461	1.0792	1.0433	0.0011	1.2616	1.0689	1.0971	1.0357
LMFA01060236	0.2931	0.9005	0.5910	0.6930	1.3514	0.8160	0.7261	1.2250	0.8393	0.8814	0.8578	1.6594	0.9268	2.7309	2.1123	0.8682	0.5731	1.3999	0.5781	0.1721	0.3314	0.7905	0.6679	0.9677	1.3606	1.2085	1.3004	1.9466	1.2222	0.3060	0.6953	0.7645	1.8762	0.8724	1.5232	0.8679	1.2479	1.5720	1.0005	0.3854	0.7581	1.6667	1.1144	1.3023	1.1444	0.5621	1.6090	0.5250	0.9067	0.5837	0.6497	0.4466	0.7141	1.4236	0.9660	1.3723	1.2400	1.2213	0.5089	0.8125	0.5177	0.4943	1.4277	1.1803	0.8343	0.9554	0.7033	0.6491	0.9780	0.7329	1.2754	0.7177	0.8281	0.7879	1.3126	0.4911	0.5349	1.0554	0.4144	1.2014	1.1066	1.3318	1.6717	0.2336	1.3776	1.5305	2.1229	1.2463	0.4837	0.5858	1.0824	0.4992	1.4395	1.8511	0.4409	0.7054	1.2367	0.5251	1.2787	0.6331	0.8746	1.0111	1.4633	0.3902	0.5315	0.6860	0.8827	1.5034	0.9937	1.0129	1.2216	0.9153	0.8409	0.6412	0.6687	1.6921	1.9887	0.9502	1.3172	1.3367	1.2943	1.0239	1.0153	0.4849	0.1553	1.2987	1.7432	3.0424	1.8470	1.1786	2.2849	1.3788	2.6197	0.7619	0.6855	1.8114	0.5417	1.5148	2.1110	1.2843	0.4673	0.3934	1.6818	0.0219	0.8437	1.7942	1.0199	0.9455
LMST04010241	0.6491	0.6448	0.4226	0.1153	0.3029	0.3016	0.4678	0.4670	0.5678	0.4195	0.5837	0.3199	0.2502	0.7407	2.0418	0.6994	0.6932	0.2738	0.4978	0.5936	0.8691	1.5084	1.3714	0.6614	0.4853	2.6942	1.9067	0.8700	1.5336	0.6677	0.5754	0.7253	0.2294	0.1480	0.4624	0.3415	1.0511	1.0721	0.5481	0.5430	0.0848	0.1198	0.2067	0.3446	1.3234	0.7986	0.1912	0.1846	1.3276	2.2444	0.3297	0.2118	1.6673	3.1021	2.1173	1.7675	0.8284	0.6295	0.3131	0.2029	1.2445	1.5806	1.1859	0.8320	0.6271	0.7483	0.3344	0.2234	1.0131	1.1678	0.6288	0.6009	3.1663	0.7662	0.3236	0.2756	0.6382	0.5019	0.9196	1.1069	1.8994	2.2251	0.7949	1.4262	1.5637	0.7423	0.8233	1.0744	1.6528	1.3945	3.4518	2.1560	1.6802	1.5962	0.2218	0.1439	0.8768	1.1225	2.2369	2.1528	1.5497	1.3582	0.4607	0.8782	0.5685	0.3244	0.3921	0.9274	0.3914	0.2835	1.6562	2.3793	0.6141	1.8883	0.2174	0.8962	0.4626	0.9791	1.2269	1.2347	0.2407	1.7162	1.7747	0.6531	1.4511	0.3061	2.5215	0.6654	0.5046	0.6772	2.1950	0.2636	4.1727	1.2136	2.0237	1.1819	4.2206	0.3643	0.1296	0.8915	0.8877	1.9026	0.6478	0.0178	3.2606	1.6182	1.1751	1.9101
L-Tyrosine	1.1981	0.8311	1.3456	0.6527	1.3608	1.1298	1.2936	0.7962	0.8765	0.5145	0.9369	0.9694	0.7280	1.1378	0.8839	1.7470	0.7579	0.9675	0.8727	1.8322	1.1436	1.4086	0.8653	1.2503	0.9231	0.7585	1.0218	1.2392	1.0857	2.1417	1.1067	0.8848	1.1109	0.8895	0.6392	0.5127	1.2486	0.9435	0.9257	0.9929	1.5396	1.1820	0.9286	0.8255	1.0433	0.7641	1.0223	0.9026	1.7222	1.1987	1.2540	0.7928	1.3499	0.7810	1.0533	1.0382	0.9073	0.6729	1.2854	1.0018	1.1799	1.4275	1.1943	0.7437	0.8519	0.7613	1.2220	1.2089	1.1886	0.9544	1.1644	0.9588	1.2507	0.8648	0.8997	1.3228	1.3014	1.0471	0.9354	0.9346	1.0326	1.0311	1.2150	1.3430	1.0608	0.8056	1.5228	1.0766	0.7937	1.6128	1.2153	1.0714	0.9036	0.9053	1.2839	0.9146	1.1295	0.8999	1.3312	1.3275	1.0352	1.1102	0.9840	1.1818	0.9734	1.5970	1.1671	0.9855	0.7649	0.9554	1.0025	0.8874	0.5389	0.9114	1.1562	1.1113	1.1085	0.8581	0.9245	0.8191	0.9755	1.3808	0.9198	0.8733	1.2213	0.8351	0.9808	0.8139	0.1366	0.9013	1.3367	0.8481	0.8719	1.1240	1.1457	1.4990	1.1559	1.0419	1.0370	1.3082	0.9574	0.7040	0.8435	0.0004	0.8520	0.8896	1.1077	1.0041
Lyophyllin	0.9570	0.5399	1.2955	0.4078	0.6230	1.9269	1.5993	0.5010	1.4819	0.3818	1.6057	1.0300	0.3745	1.5387	0.3395	1.0245	0.5306	2.2991	2.1087	0.9085	0.4398	1.6409	1.4754	1.1917	0.5430	1.4456	1.6758	1.7198	0.4107	1.3455	0.7698	0.3883	0.8027	1.1634	0.6167	0.3989	1.6274	0.5215	1.5880	2.1075	0.7327	0.6580	1.2908	0.3918	1.5664	0.2553	1.2642	1.1380	0.9422	0.3084	1.9621	2.1842	0.8272	0.6273	3.0542	2.5697	0.8877	0.7428	0.8835	0.5452	1.7593	0.7825	0.8121	0.4298	0.7334	0.4051	1.1018	1.3770	1.4731	1.0867	1.4055	1.5945	0.6588	0.7685	2.1981	1.0625	1.2125	0.5045	0.5140	0.3196	1.2409	1.4124	0.7021	1.9648	0.9554	0.5611	1.3042	1.1433	0.7678	1.3677	0.7785	1.0887	1.9964	0.7355	1.7007	0.9414	0.5013	0.3330	2.4826	0.7862	0.5854	1.7989	0.7941	1.8592	0.6972	1.8754	1.8010	0.8894	0.4124	1.2111	0.5549	0.8821	0.5155	1.1191	1.3984	0.4161	0.7303	0.4966	0.8222	0.5678	1.1349	1.1979	1.1880	0.7946	0.4056	1.7091	0.5964	1.2107	1.2211	1.3781	2.4518	0.7155	0.4792	0.2704	0.5967	0.6759	0.5603	0.7577	1.4611	0.3393	1.6043	0.9450	1.7303	0.0031	0.2784	0.6242	1.0476	1.0625
Margaric acid	0.8492	1.4316	0.8732	1.1584	1.2377	1.0387	0.7744	1.2041	0.8811	0.7023	1.0140	1.1459	0.7152	1.5398	1.4737	0.5756	0.9006	0.7970	0.8041	0.6499	0.6745	1.0683	0.8311	0.6389	0.8274	2.0965	1.3933	1.4529	1.1990	0.4817	0.5299	1.2900	1.8815	1.8887	1.7104	0.9077	1.3890	1.0749	1.2105	0.5370	0.7389	1.3168	1.0695	1.1823	0.8712	0.5295	1.0383	0.5264	0.9169	0.4830	1.0858	0.9826	0.6478	1.2537	1.1276	0.9942	1.0005	0.8099	1.3519	0.7664	0.6337	0.8427	1.3816	1.1594	0.8384	1.0793	0.6734	0.7213	0.5743	0.9529	0.8065	0.6133	1.5415	1.1228	1.2749	0.5466	0.6895	0.8421	0.6038	0.9563	0.7836	1.4511	1.2907	0.7734	0.9916	1.2698	0.7421	0.7041	0.7113	1.4152	0.9870	0.6058	1.7135	1.8051	0.7677	1.0526	1.3844	0.8226	1.0876	1.3253	1.5261	1.2054	1.0143	0.6232	0.4890	0.8380	0.7600	1.2612	0.8438	0.6207	1.6586	1.0506	0.7948	0.4838	0.8825	0.9968	1.4359	0.8391	0.6408	1.2201	1.8604	0.6826	1.2062	1.2323	0.4431	1.7456	1.3737	2.5142	1.1416	1.6355	1.5720	0.9268	1.5090	0.7303	0.5500	1.0329	0.6433	0.7242	1.4257	0.8157	1.0176	0.5930	2.0430	0.0092	0.7524	1.4741	1.1898	0.9106
Marilone C	1.0002	1.1735	0.8895	1.3143	0.8126	0.9964	0.5865	1.0426	0.3869	1.3396	0.5217	1.0902	0.8685	0.5192	0.9933	1.5971	1.1696	0.8143	1.4166	1.5547	0.8166	0.8179	0.7596	0.7702	0.9429	1.1423	0.7814	0.7188	1.2333	1.5609	0.8984	1.0097	0.8334	1.1304	2.1860	0.8214	1.0587	1.0711	1.2098	1.8135	1.0821	0.5446	1.1636	1.7041	0.7943	0.9368	0.2278	0.9933	1.0714	1.5222	0.8173	0.5407	0.9389	0.8538	1.7961	1.3228	1.2992	0.8761	1.0430	0.7163	0.3151	1.1641	0.7281	1.0671	0.7354	1.4225	1.2553	1.7845	0.5375	0.6719	0.2720	0.1798	1.2722	1.3684	0.4775	1.7938	0.7951	0.9445	0.6323	1.1374	0.9395	0.7658	0.4425	2.4640	1.5077	0.5767	0.7129	1.7478	1.1526	0.7698	0.6501	0.9536	0.6918	0.7864	1.6309	1.1544	0.7451	0.8167	0.8872	0.6520	0.7762	1.1531	1.0071	0.6264	0.8716	1.3493	1.4752	0.3506	0.5333	0.3706	1.3713	1.1113	0.5720	0.6806	1.0485	1.4295	1.1707	1.4103	0.7741	1.7432	1.3117	1.3285	0.8598	3.4364	0.0472	0.6607	0.8883	1.8380	0.6722	1.3411	0.6335	0.8601	1.1555	2.0838	0.8612	2.1365	1.2702	0.9282	4.4542	1.3003	0.9472	0.6052	3.3820	0.0334	0.9438	1.0297	0.9402	0.8426
(-)-Menthylacetate	0.3772	0.8811	0.6598	0.8469	1.4484	0.7642	0.9332	1.4508	0.7564	0.7201	1.1750	1.2954	0.8077	3.2277	2.6583	0.4822	0.8657	0.4583	0.6270	0.4739	0.9766	0.7399	0.7191	0.6527	0.9715	1.2664	0.9286	2.5462	1.7085	0.2544	0.3196	1.2696	1.4986	1.1616	1.4603	1.0605	1.0456	1.1465	0.5837	0.3061	0.6430	2.4540	0.8672	1.2691	1.1505	0.6929	1.5990	0.2957	0.8954	0.2866	1.3091	0.8384	0.8077	1.4714	0.9401	0.9422	1.3547	1.0529	0.4768	0.9543	0.5083	0.4292	1.1691	1.4545	0.7462	1.1119	0.7254	0.6378	0.6775	1.0678	1.2115	0.5021	0.6140	0.8568	0.7571	0.7008	0.8630	1.4635	0.6880	1.3155	1.1288	1.5586	1.2860	0.4113	1.0237	1.7001	2.1739	1.0697	0.5123	0.5282	1.0340	0.3514	1.2440	1.8236	0.7807	1.2582	4.6184	1.3770	1.6572	1.6981	1.6352	1.3061	2.1154	0.6506	0.6852	0.7393	1.1486	1.1395	0.8053	0.7974	1.1663	1.0190	0.9208	0.3985	0.6034	0.9304	1.8237	0.7563	1.0291	1.1137	1.5510	0.8084	1.3454	0.6684	0.1703	1.1011	1.3086	1.8955	2.2083	1.2930	3.9377	1.5257	2.4450	0.6627	0.5420	1.2229	0.4462	0.7661	2.8036	0.9274	0.8566	0.5860	2.1570	0.0027	0.7350	1.6291	0.6706	0.7983
Meso-2,2^-iminodipropanoic acid	1.2312	0.3780	1.1687	1.3315	0.7152	1.2061	0.1895	0.8187	0.5165	0.7921	1.2510	0.7637	1.2938	0.7435	1.7928	1.0476	1.1479	2.0196	1.3034	0.9436	0.1860	0.8582	0.8849	0.7454	1.1964	0.2826	0.7770	1.3194	1.3407	1.0164	1.0419	1.7185	1.1849	0.9363	1.1373	0.9195	1.4872	1.6241	0.6490	1.3043	1.5458	1.4037	1.1089	1.1723	1.3467	1.0299	0.9831	1.1453	1.3109	1.0763	1.7387	1.3083	0.7279	0.7830	2.0415	1.9633	1.2099	1.1096	1.0323	0.4036	0.9152	0.8042	0.8307	1.2737	0.9881	1.0995	0.6719	0.7199	1.8056	2.0823	0.8742	0.9488	1.7559	0.7670	0.9872	1.0022	1.1220	1.4248	1.0128	1.2240	0.9443	1.1201	0.6146	2.4472	0.6517	0.8839	0.9860	0.8922	0.8282	0.8823	0.9473	0.9438	1.6261	1.4059	0.8840	1.1142	0.9070	0.8418	1.1197	1.0810	1.1681	1.0784	0.8705	1.4423	1.1855	0.9688	0.9410	1.0682	0.7408	0.7834	1.0897	1.1684	0.9582	0.9933	0.8376	1.2066	1.0126	2.3691	1.1205	0.6964	1.0406	1.2644	1.1342	0.7829	1.7300	1.2639	1.2471	0.3606	0.5878	1.6188	0.7762	0.5491	0.9137	1.0418	1.1131	1.3251	1.2412	1.0760	1.0533	0.9083	0.3376	1.5085	1.0274	0.0117	1.0305	0.4423	0.8728	1.0949
Methylfarnesoate	0.5733	0.9939	1.1172	0.9712	1.1793	1.1011	0.6476	1.2587	1.1005	0.8397	2.0165	1.8165	0.9637	2.2819	1.7322	1.2949	0.9437	1.0912	0.8434	0.5652	0.9188	1.0195	0.8285	0.7957	0.6804	1.0558	1.7332	2.2845	1.4141	0.4628	0.5218	1.2100	2.4552	1.5779	1.3226	0.9480	1.1635	0.9896	1.0601	0.7456	0.5939	1.1648	0.7093	0.9023	1.4123	0.5906	1.2782	0.4741	1.0442	0.5828	1.0271	0.0284	1.0842	1.6068	1.0620	1.2513	1.5883	1.3432	1.6173	1.1945	0.9707	0.7004	1.3832	0.8680	0.8133	1.1208	1.2435	1.3597	0.7029	1.4297	0.9565	0.4256	1.3392	0.9286	1.0834	0.9489	1.4190	1.6213	0.4100	0.6224	1.0166	1.1975	1.4032	0.5137	1.2552	1.5916	1.2796	0.7815	0.7064	1.1229	0.8761	0.5312	1.3854	1.7853	1.2452	1.1207	1.7980	0.8687	1.5718	1.0566	1.3312	0.0382	1.5970	1.1166	0.6415	1.1230	1.1152	2.0131	1.0760	1.0319	1.1121	0.9429	1.0546	0.7529	1.0458	0.8221	2.0190	1.4667	0.9350	1.0081	0.7119	0.9066	1.3775	0.9484	0.2629	1.9508	1.5064	0.9403	2.0255	1.1311	1.8608	0.8060	1.5786	0.6690	0.7898	0.9831	0.6749	1.0840	2.1589	0.8578	0.7554	0.6829	1.5585	0.0078	0.6916	1.4233	0.6382	0.8190
MFCD00272697	0.8216	0.8099	0.9679	0.9659	1.4861	1.2768	1.1670	0.8183	1.0663	0.8716	1.0202	1.3894	0.8605	1.1002	0.6914	2.0840	0.8622	0.6460	1.1841	1.0329	1.5357	1.2085	1.2685	1.2405	0.8239	1.2029	1.3130	1.2927	1.1111	1.7771	1.3356	0.8191	1.1261	0.7571	0.9176	1.0146	0.0471	1.2951	1.0006	1.4073	1.2980	1.1696	1.7332	1.4430	1.3990	0.9342	0.9524	1.3257	1.5684	1.2223	0.8918	0.9906	1.5357	1.2397	1.2145	1.3185	0.9578	0.6972	1.2417	1.3868	1.5946	1.0387	1.6723	1.1256	1.6532	1.0363	1.2424	1.4004	1.5954	1.2098	1.2418	1.0461	1.6113	1.2335	1.1727	1.4005	1.3853	1.3395	0.7836	1.0891	1.0660	0.9000	0.9740	1.6588	0.7722	0.4914	1.0788	1.0996	0.5834	1.2688	1.0157	0.0221	0.8284	0.7365	0.8920	0.8990	0.9161	0.9540	0.7497	0.8826	0.9119	1.1200	1.0243	0.9241	1.1368	1.0904	0.9431	0.7641	0.8461	1.0640	1.0213	0.6362	0.6169	1.3358	1.1170	1.0781	0.6966	0.4354	0.9775	0.9383	1.0606	1.1887	0.9618	1.2548	2.2755	0.8701	1.0794	0.8418	1.0389	1.0089	0.9212	0.9106	1.0061	1.2586	1.1975	1.1603	1.1033	1.3868	1.0494	0.0247	0.8525	1.2640	1.0327	0.0202	1.1181	0.8748	0.8229	1.0035
Mucronine B	0.4946	0.9009	1.4951	1.1867	1.2839	1.2669	0.4346	1.4161	1.3948	1.0556	0.4388	1.3524	0.6763	0.4698	1.2004	1.3045	1.3253	0.9795	0.7375	0.9421	0.8348	0.7783	0.8246	0.6135	0.9047	1.9752	1.9467	1.5617	1.3894	1.4938	0.5889	0.5658	0.5378	0.2424	2.2055	0.5325	1.0945	1.2920	0.9098	1.2702	1.2198	0.4589	1.0487	1.5980	1.2541	0.9629	0.9152	0.4294	1.4019	0.5885	0.4573	0.4695	0.8873	1.4454	1.7445	1.1973	1.7351	0.4150	0.9031	0.3441	0.3541	1.3428	0.4813	0.4414	0.7137	1.1119	0.4499	1.2934	1.0945	1.2793	1.2452	1.2248	1.4547	1.1040	0.6197	1.0286	1.3554	1.3069	0.2440	1.2394	0.5645	0.2896	0.5687	2.4929	1.5741	1.5327	1.3035	1.7332	0.7251	1.3520	1.3653	1.3846	1.3312	0.4151	0.5742	1.0602	0.3715	0.4434	0.2332	1.1766	0.4978	1.2629	1.4727	0.7674	1.1703	0.8211	1.1268	1.2883	0.3480	0.6940	0.7569	0.9501	0.4962	0.6538	0.6700	1.2104	0.7889	1.7944	0.5691	1.2251	1.4843	1.9827	0.3998	2.9296	1.3538	0.3009	1.6641	1.6722	1.7205	1.4995	1.5259	0.6765	1.5177	1.3596	1.4594	1.7669	1.9821	1.5116	3.7915	1.5127	0.4207	2.3005	2.4787	0.0132	0.6899	1.7259	0.7342	0.8134
?-Muricholic Acid	0.0419	0.0762	0.4824	0.1012	0.0711	1.1204	0.7471	0.0834	0.0494	0.2666	0.2618	0.0939	2.1840	0.2052	5.4613	0.2520	0.0790	0.4502	0.4995	1.5500	1.5148	5.3513	3.2007	0.2082	0.0785	0.1157	1.2033	0.1549	0.1170	1.3895	1.3996	0.1321	0.6443	1.7714	0.0477	0.0411	0.0991	0.0750	0.4287	2.4017	2.1824	29.8327	0.0573	0.0588	1.4376	1.4246	0.0593	0.0497	0.0876	1.9624	2.1272	1.9061	0.3544	2.2514	0.0571	0.0525	0.0453	0.6007	0.0617	0.3671	4.7349	1.3392	0.0516	0.0607	0.1155	0.1766	0.1914	0.2254	4.3556	0.3381	0.5125	0.6833	0.5248	1.2162	0.1787	0.6532	0.2819	0.1360	0.1201	25.5365	0.0600	1.7893	0.0594	0.4578	0.1312	0.1288	0.1888	3.1907	8.4628	0.0471	0.0474	0.0553	0.0747	0.0538	0.3564	0.7265	0.1324	0.1581	0.6202	0.0685	0.0506	0.0706	0.0701	0.0498	0.0656	2.6636	0.2771	0.0824	0.7537	0.0584	4.1078	2.6000	0.0573	1.8027	0.0566	0.2113	0.1825	0.0609	0.1505	0.0670	5.9235	0.1099	0.0664	0.0649	0.0929	0.0555	0.1056	0.0414	0.0548	0.0497	0.2954	0.0738	0.0483	3.1877	1.2191	0.0702	1.7841	0.0470	0.0657	0.1304	0.2815	0.1170	0.0780	0.0475	0.0649	0.0671	0.4675	0.5287
Myristicacid	0.5115	1.1717	0.9325	0.5954	1.3361	1.0412	0.6547	1.0742	0.5825	0.3530	1.2207	1.1254	0.4744	1.4425	0.9380	0.5597	0.5749	0.6560	0.5623	0.8303	0.8116	0.7865	0.5824	0.5190	0.5142	1.2550	1.0540	1.7441	1.2803	0.4420	0.3471	1.2137	1.1410	1.8369	0.9963	0.6753	1.4440	0.7590	0.6962	0.3668	0.8817	2.5490	0.8026	1.3562	1.0822	0.5294	0.9905	0.3317	0.8224	0.4677	1.3612	0.7384	0.6376	1.1824	0.9974	0.8339	1.2043	0.4454	2.4101	1.4528	0.6573	0.7825	1.8073	0.9745	0.9286	1.1360	0.6587	0.7827	0.5433	0.8148	0.7374	0.5137	1.2548	0.9826	0.9718	0.6595	0.6697	0.9529	0.5888	0.6362	0.5737	0.8257	1.1806	0.8090	0.6636	1.3948	0.7026	0.5731	0.4403	1.0500	0.8148	0.5169	1.6348	2.5639	0.7861	0.7321	2.0633	0.9813	1.2460	1.4718	1.6299	0.9926	0.8245	0.6905	0.5542	0.9812	1.1042	1.9081	0.8145	0.7486	1.5039	1.0993	0.5650	0.3654	1.1102	1.0085	1.3592	0.6572	0.6695	1.4095	2.1272	0.5304	1.1434	1.0878	0.2326	1.6279	1.6976	2.8406	1.0452	1.7795	1.2281	1.0580	1.6445	0.6689	0.4460	1.1739	0.5130	0.4641	1.2938	0.9453	0.8092	0.6145	3.4555	0.0037	0.6907	2.0093	1.4349	0.8743
N5-Ethyl-L-glutamine	0.5166	0.2639	0.5859	0.3195	0.6403	1.6223	0.5958	0.9094	1.0540	2.1999	2.4003	1.1844	2.3344	0.1890	0.2471	0.4599	0.5282	0.8650	0.6311	0.5190	0.4997	0.5591	1.4269	1.0383	0.6309	0.5177	0.5196	0.4883	0.2919	1.1308	0.9005	0.4708	0.1753	0.5959	0.6606	0.6981	0.8518	0.3880	0.8526	0.6333	1.9407	1.3840	1.2412	1.6847	1.1477	0.6552	0.4170	0.5996	0.3640	1.0234	1.3023	2.6104	0.3252	0.5367	1.3708	1.7024	0.4296	0.7560	0.3305	0.3030	0.6451	0.7687	0.2830	0.3749	0.3804	0.6380	0.8419	0.6165	0.8761	0.9647	0.8386	0.7509	1.3420	1.2373	0.8000	0.4780	1.4087	1.0437	0.8664	0.9886	0.2652	0.3131	0.4688	2.9671	0.3863	2.2113	0.7608	1.2750	1.4918	0.8682	0.5439	0.8808	0.9033	1.1051	0.4183	0.2709	0.2166	0.2354	0.6436	0.7146	1.2941	1.1706	0.6914	0.4927	1.2963	1.3867	1.8939	0.3473	0.3268	4.2961	0.5048	0.5843	1.2528	0.3401	1.3530	1.7418	0.6736	3.0885	1.8481	1.2705	1.1021	2.1447	2.4316	1.1627	1.0857	2.1284	2.6027	1.1972	0.9515	3.2289	0.2399	3.0144	0.2885	2.0785	1.1341	2.1771	1.6221	1.9181	2.3300	1.9627	1.9349	0.7814	1.4721	0.0187	6.5200	1.1476	0.8149	1.1978
N-Acetyl-D-glucosamine6-sulfate	0.8173	0.9470	0.6484	0.7169	0.7440	1.1049	0.6871	0.7480	1.0603	1.2686	1.8575	0.7424	0.9771	1.3085	1.4065	0.8021	1.5772	1.6078	1.4814	0.7498	0.9182	0.9303	1.0254	1.0096	0.9050	0.5477	0.7300	1.4515	1.4036	0.9430	0.9653	2.0942	0.6926	0.6919	1.1103	0.8545	0.9385	1.1254	1.2998	1.3031	1.5913	1.2677	1.5182	1.2429	1.2343	1.2134	0.7381	0.7109	1.2985	1.2199	1.7176	1.5056	0.9191	1.1353	2.4530	2.6923	1.6315	1.6561	2.1326	2.2333	0.7891	0.7326	0.7432	1.0526	1.4894	1.5873	0.7402	0.7593	0.6109	0.6539	1.0655	1.1716	1.6618	0.9456	1.2676	1.3465	1.5589	1.9114	1.0295	0.9610	1.1459	2.2638	0.4187	0.9820	0.5777	0.9016	0.5302	0.7741	0.9613	1.1739	1.7114	1.2130	1.1696	1.3558	0.6995	0.8407	0.5849	0.6883	0.8770	0.7821	0.9342	0.8962	1.0231	0.9632	1.0606	0.9063	1.0737	1.0848	1.0208	0.6305	0.9889	1.4210	1.4016	1.0911	0.7841	0.9427	0.8390	1.2216	1.2040	1.0322	0.6157	1.0839	1.0728	0.8286	2.4260	0.8773	1.1390	0.9796	1.1176	0.6038	0.6709	0.8618	0.6974	0.5779	0.7446	0.7869	1.0625	0.6369	0.7894	0.6537	1.2515	0.7842	0.8932	0.0273	0.7344	0.8439	0.8388	0.8655
N-Acetyl-L-aspartate	0.9935	0.9044	1.1400	0.9249	0.5885	0.9798	0.7457	0.8815	0.7228	0.8129	0.5750	0.6573	0.9494	0.5852	1.0124	1.0170	1.0204	1.3093	1.0219	1.2095	1.2140	0.4205	0.7053	1.0740	0.9986	0.4110	0.8188	1.0308	0.8396	1.0901	1.0665	1.4333	0.9875	0.9229	0.8297	0.8801	1.2690	1.3664	1.0954	1.2989	1.6042	1.5073	1.0042	1.1185	1.0822	0.8857	1.2992	1.5478	0.9324	0.7629	1.2031	1.5165	0.6582	0.9718	2.0824	2.1761	0.8201	0.9989	1.3991	1.2263	0.9853	1.0171	0.8910	1.0959	0.7615	0.9568	1.1041	1.3167	1.2446	1.3496	0.7566	1.0717	0.8482	0.9242	1.4363	1.1219	0.7780	1.2121	0.9604	1.0801	0.8554	1.8554	0.6716	1.9204	0.6456	0.9200	1.0027	0.7690	0.9198	0.8338	0.7140	0.8949	1.2167	1.0215	1.0522	1.9269	0.9366	0.8503	1.5543	1.5273	1.5084	1.1888	1.3518	1.3208	1.3876	1.1144	1.0742	1.1061	1.0826	1.3985	0.8826	0.8617	0.4036	0.8140	1.3142	1.9898	1.4005	1.1226	1.5683	0.8136	0.7784	1.7939	1.1208	0.9192	1.0039	1.6773	1.1121	0.6645	0.7024	1.6230	1.9365	1.1139	1.0562	1.3849	0.8909	1.1439	1.4280	1.4227	1.6991	1.1683	1.0052	1.1455	1.2513	0.0130	1.1247	1.3913	0.6878	1.0992
N-Acetyl-L-Carnosine	0.9718	1.0318	0.7632	0.7553	0.6143	0.5774	0.6647	0.4995	0.3464	0.3982	1.2104	0.6310	1.0317	1.1242	1.3481	0.7374	1.1798	1.0879	0.8332	0.8621	0.6915	0.6216	0.3932	1.0489	0.8999	0.7080	0.9191	0.8442	0.8834	1.3865	0.9528	1.1948	1.0601	0.7811	1.6945	1.0123	1.4883	1.5108	0.8745	0.5805	1.1412	1.3726	1.0029	0.9394	1.6366	1.3575	0.7631	0.2387	2.2684	1.5008	1.1204	0.6398	1.6522	1.5037	1.8547	1.5450	0.7858	0.4094	0.8523	0.7073	1.0814	0.6249	1.1948	1.1013	1.1219	1.1221	1.0399	0.6295	0.6246	0.6827	1.5386	1.0886	3.1167	0.7805	1.1259	0.2928	1.0784	0.8674	1.4827	0.9932	0.4308	0.2231	1.2332	1.2987	1.1253	0.9729	0.8781	1.2468	0.7591	1.5214	1.3364	0.4672	1.2932	0.6283	0.5695	1.0409	0.6154	0.6697	0.3836	1.8256	1.5585	1.8532	1.7390	0.3729	0.5336	0.7865	0.2303	0.8657	1.1238	0.3608	0.8348	0.3128	0.8508	0.4466	1.5085	0.9583	1.4505	0.6895	3.3801	0.9172	0.8424	2.8904	1.5597	0.6409	1.9878	1.7262	2.5928	1.2534	1.0327	0.9645	1.0411	1.1451	0.5633	1.5204	2.0620	0.9907	1.5767	2.2332	1.3956	1.4700	1.1805	0.8020	0.8740	0.0842	1.8708	0.9146	0.9151	0.6919
n-Amylbenzene	0.9292	0.8257	1.8822	1.6487	0.9608	0.8775	0.8209	2.1974	1.6413	0.7612	0.3974	1.1372	1.1701	1.2112	1.0063	0.7855	1.1056	0.8712	0.9702	0.3243	0.5833	1.4024	0.6252	0.9847	1.0506	1.0709	0.8410	1.0397	0.7141	0.6986	1.2741	0.6453	1.8341	1.0277	1.4105	0.8655	1.1144	1.1320	1.2885	0.4901	0.4869	1.0456	0.7121	0.7271	1.4783	1.1537	0.7072	0.6767	1.7151	0.4560	1.0393	0.4958	1.1807	1.1599	0.9503	0.8269	1.1405	1.1735	0.6048	1.1303	1.0340	1.0343	0.8336	1.2986	0.3618	0.7451	0.7556	1.1437	0.8364	1.6672	1.2483	1.3481	0.8940	0.8663	0.8871	0.5828	0.7155	1.0468	0.8839	1.4461	0.5498	1.3088	1.6545	0.6271	2.0483	1.3220	1.2821	0.9718	0.6508	0.9032	1.1431	0.8684	1.1272	1.6520	1.7145	1.6952	1.6568	1.1823	0.8163	1.4457	1.3578	0.8987	0.8400	1.9858	0.8480	0.6166	0.7009	1.0228	1.1710	0.6172	1.3314	1.4764	0.7640	0.6378	1.6318	3.4471	1.4769	1.0394	1.4488	2.0432	0.7273	0.9157	0.7636	1.1590	1.1998	0.7861	1.3957	1.3100	0.8229	2.0585	1.2640	1.5507	1.8958	1.0702	0.8667	2.1183	0.5871	1.4733	1.7856	2.0417	1.2789	0.8271	0.6650	0.0744	0.6855	2.2006	0.6306	0.5905
Naphthalen-2-amine	0.4673	0.4616	0.2073	0.5476	0.5945	0.1802	0.2582	0.6108	0.0503	0.2814	0.7951	0.1771	0.3637	0.3488	0.6134	0.3781	0.4613	0.5580	0.5082	0.8809	0.4087	0.4926	0.8299	0.4042	0.3902	0.2873	1.0590	0.3266	0.1904	0.1583	0.1175	0.8094	0.1472	1.4000	0.5733	1.0837	0.8672	0.5116	0.5246	0.3589	0.1617	0.6002	0.6908	1.1313	0.5815	0.0445	0.4294	0.1399	0.6511	0.2758	0.4917	0.8545	2.8397	0.6446	0.2098	0.2277	1.7348	0.9217	0.3877	0.1264	0.8073	0.5282	1.1267	0.0416	0.4069	0.0805	5.5244	0.7633	1.0234	1.2166	2.1841	0.8332	0.3217	0.6850	0.3578	0.9910	0.8931	0.7315	1.5264	0.8109	2.3391	1.3865	0.6797	2.0878	0.6637	0.7011	0.8535	1.1615	1.0480	0.9034	0.6060	0.5273	1.2404	1.1104	0.6793	1.0200	0.5831	0.5604	1.2070	3.5188	3.1993	0.2383	0.5489	1.7692	4.1451	0.9215	1.0297	1.5668	0.3701	0.6475	1.4402	1.0015	0.8840	0.3916	0.8282	4.1714	0.6492	1.8180	0.6206	2.7459	0.2086	2.3623	1.7823	5.6738	0.1058	0.4194	0.7070	1.1848	0.7144	1.6833	1.2527	2.6763	1.0084	2.1277	2.9095	1.7354	1.9820	6.9929	3.2093	7.6289	0.8767	2.7580	0.7091	0.0173	1.3598	1.9535	0.7312	0.8679
Nicotinicacid	0.3589	6.5261	0.4551	0.6732	0.2528	1.1825	0.7971	0.3025	0.4913	0.4421	0.9239	0.3356	0.2619	0.4009	0.2196	0.3980	5.2050	1.8810	3.0889	0.3650	0.4523	0.3646	0.4837	1.8208	1.0344	0.2363	0.3851	0.6917	0.6658	0.4106	3.0950	0.4628	0.2517	0.3254	1.2481	0.9069	0.3524	0.2639	1.4229	3.8344	0.8944	0.3843	0.5632	1.9113	1.0988	1.9699	0.2510	0.2843	0.3627	1.5379	0.4497	1.2739	0.4903	1.3342	2.6841	2.9192	0.4589	0.1751	0.1845	0.1909	0.8105	0.3971	0.3461	0.1929	0.7095	1.9845	0.5169	0.3605	0.8442	0.6999	0.3064	0.1733	0.4821	2.1357	0.2410	0.1716	0.4297	0.2275	0.2208	0.1359	0.3240	0.4416	0.5076	0.6326	0.7627	3.0822	0.3170	0.3728	2.8683	0.7230	0.3427	1.5433	0.5131	1.7068	0.3335	0.4066	0.1325	0.5767	0.3676	1.4338	0.2653	19.1422	0.3207	0.1956	1.0068	0.4757	2.9994	0.3206	0.2585	1.4803	4.2032	0.1761	0.5385	0.4277	0.3473	0.3782	0.3070	0.6916	2.0343	0.2950	0.3868	0.0239	0.6185	0.5864	1.8476	0.7641	0.4685	1.3667	0.3217	1.7183	0.2733	0.6564	0.2562	0.6701	0.4691	1.8003	0.4612	3.2340	0.6771	0.4842	0.4678	0.5725	0.5295	0.0043	0.5209	5.0884	1.1410	0.7643
Nigbeauvin B	0.4636	0.9950	0.3238	3.1976	1.3540	1.0866	0.4893	0.8792	0.0409	0.1038	0.3784	0.0385	0.2484	0.1609	0.8468	0.0305	0.4174	5.2720	0.8105	0.0223	0.4581	2.3247	0.9409	0.0198	0.2107	0.8600	0.0445	0.6549	2.5467	0.1620	1.2337	3.5671	0.0600	1.2383	2.6905	0.4655	0.3405	0.3813	0.2036	1.0426	2.9470	6.9738	0.8145	1.3242	1.3127	1.6718	0.1052	0.2470	0.0241	0.0648	1.4579	3.0284	0.0242	0.5372	0.2567	1.0310	0.2184	7.8123	0.0969	0.0351	2.3599	0.7909	0.1411	0.0331	0.3412	0.0261	0.0630	0.9337	0.0992	0.6266	0.7844	2.0125	0.1166	0.8193	1.0182	4.6443	1.4710	1.9487	0.3173	0.3534	0.8647	2.4084	0.1307	0.1472	1.6745	5.7312	0.0458	0.9366	2.1773	1.0633	0.1282	1.9679	0.7007	0.5423	0.0883	1.1486	1.3573	2.1129	0.4524	0.1556	0.5221	0.1695	4.9901	0.3925	0.4822	1.4672	3.6619	0.8708	0.8628	4.2972	3.2348	2.0580	1.5477	1.7115	2.5166	0.5123	3.1663	1.1534	0.4759	0.3808	0.6543	0.0725	1.0268	1.1021	0.4533	0.7736	0.0316	0.0238	0.0280	2.7207	0.5855	0.2479	0.5076	0.4679	0.1191	0.3753	1.4313	0.1902	0.9933	0.4700	0.9264	1.5848	0.3638	0.0243	0.0262	4.9559	0.5100	0.8373
N-Methylpyridinium	0.7187	1.4254	0.6789	1.7100	1.7401	0.6255	1.6726	1.8645	0.7706	0.8409	1.4982	2.0871	1.6171	0.2477	0.9706	0.2352	1.7321	0.9971	0.6835	0.2728	1.6413	2.5997	2.6698	0.1848	0.3113	1.2904	0.2483	0.7707	1.0291	0.2876	0.8308	1.6918	0.4711	2.2959	1.6436	1.8072	1.1948	1.0861	0.7224	1.2128	1.7303	2.2652	0.9184	1.3877	0.7000	0.6044	1.6878	1.3535	0.4668	0.8858	0.3800	0.6840	0.3200	1.8440	1.4990	1.3350	1.3032	4.8868	0.4691	0.4976	1.3213	1.2345	1.0240	0.4876	0.5386	0.2616	0.9585	0.8413	2.2065	1.5410	2.1175	2.4311	0.8725	1.2588	2.1827	1.5678	4.2074	2.1284	0.9520	2.0097	1.7064	0.5495	0.3013	0.3810	1.0750	0.9201	0.4256	1.0145	1.5175	0.6049	0.7712	2.0888	0.5565	0.6210	0.2874	0.7173	0.6644	0.5873	0.4991	1.2655	2.4616	0.2988	0.8800	1.5586	0.2482	0.3349	1.1018	0.9908	1.2039	0.8067	1.0664	3.6047	2.9008	1.5217	1.0656	0.5820	1.5976	0.3425	0.5056	1.8948	1.4136	0.3304	0.8018	1.0376	1.9401	0.5778	0.5751	0.2080	0.3087	1.3816	0.7994	0.5853	0.4984	1.7073	0.2771	0.8846	1.3342	0.5503	1.8969	0.5537	0.9840	0.6781	0.3530	0.1807	0.6126	0.4917	0.4829	0.7815
Nonadecandioic acid	0.5915	1.2936	0.7588	1.2678	0.9595	1.0035	0.5754	1.1787	0.9874	0.7443	1.4906	1.3384	0.8503	1.8104	1.7589	0.5536	1.1735	1.0313	0.7321	0.4900	0.6878	0.7962	0.6893	0.7716	0.7956	1.6872	0.8728	1.7727	1.0913	0.3602	0.4778	1.5834	1.6138	1.7070	1.4351	1.0099	1.3101	1.2019	0.8373	0.5214	0.6862	1.7512	1.0219	1.2149	1.1890	0.6356	0.9806	0.3471	0.9508	0.4327	1.5460	1.2241	0.7040	1.6203	1.1021	0.9946	1.6764	1.0405	1.1576	0.8372	0.8499	1.0054	0.9862	1.0262	0.7349	1.0790	0.7168	1.1072	0.5185	1.2402	0.7422	0.5407	1.0686	1.1763	0.9663	0.5253	0.9371	1.3645	0.4770	0.7783	0.7998	1.2108	1.6377	0.5389	1.3948	1.6966	1.0136	0.5850	0.4279	0.9279	0.8676	0.7105	1.5457	2.2575	0.9039	1.0542	1.1191	0.8072	1.1812	1.0026	1.4773	1.1417	1.1718	0.8470	0.6300	0.6029	0.9335	1.5355	1.1337	0.8805	1.2281	1.3102	1.0522	0.6060	0.8967	0.9480	1.5231	1.1699	0.7301	1.0502	1.0266	0.7299	0.9445	0.9766	0.3048	1.5154	1.6743	2.6449	1.2409	1.5253	1.1717	0.7547	0.8638	0.8389	0.5540	0.8446	0.4509	1.4213	1.7538	0.8688	0.7244	0.5856	1.9859	0.0011	0.8193	1.4290	1.1461	1.0090
Nonanal	0.9029	0.9828	0.6200	1.2136	0.5562	0.7504	0.4693	3.7263	0.3265	0.2784	0.7023	0.5118	1.1315	0.6209	0.8670	0.1566	1.2868	0.5056	0.2872	1.1252	1.7071	0.5335	1.9778	0.4347	0.5337	0.3186	0.9525	0.6822	0.6224	0.6369	0.5082	1.7185	0.2959	1.4282	0.3677	0.4476	0.8350	0.9791	0.8022	0.6232	0.6302	2.7192	0.5879	1.0781	0.3970	2.9942	0.8368	1.7491	0.3313	1.9720	0.7508	1.3794	0.2899	1.8824	1.7976	0.9558	0.3438	2.4098	1.0758	0.7183	0.4916	0.7246	0.3594	1.0647	0.7185	4.5646	0.7064	0.6270	0.3670	0.9905	0.5514	0.5769	0.4347	1.2067	0.5946	0.9537	0.7378	0.9447	0.5615	1.8069	0.4496	3.5856	0.7129	0.6373	1.1841	3.2095	0.4961	0.4334	0.8163	0.7843	0.5303	0.7869	0.6206	0.6672	0.8494	0.9483	0.7288	0.6507	0.4698	0.7885	0.7428	0.4680	2.4690	1.6085	2.3132	0.8997	4.1139	0.6976	0.5659	1.2859	2.3072	2.0239	1.2933	2.1272	1.4514	0.9485	0.8938	0.4610	2.3648	0.8455	3.3048	0.8775	0.8014	1.0622	0.4641	1.1800	0.4788	1.1566	0.7048	0.7634	1.0328	0.8604	1.0210	1.3034	0.7936	1.1213	0.7025	1.2161	0.9016	0.8389	0.9479	0.5102	1.0430	0.0128	0.7153	1.2524	1.1280	0.8092
N-Ribosylnicotinamide	0.1463	0.1186	0.2147	0.1637	0.1748	0.2795	0.1817	0.2254	5.3835	4.6188	0.7305	0.1628	0.1506	0.0812	0.0899	0.2526	0.1596	0.0423	0.0590	0.5534	0.4944	0.2785	0.2116	0.2813	0.2451	0.1056	0.4194	0.1870	0.1845	0.3588	0.5142	0.1141	0.5903	0.4123	0.3566	0.2985	0.5519	0.3677	2.0761	1.1549	0.4751	0.5445	0.1439	0.1414	0.1250	0.1118	0.3000	0.5188	0.5787	0.4714	1.5153	1.3949	0.1744	0.0990	0.3364	0.4073	0.1735	0.0840	2.0416	3.0579	0.5968	0.4814	0.2649	0.3250	0.0603	0.0470	2.6382	1.8930	0.3632	0.6394	2.3907	2.2701	0.3965	0.2158	1.2322	30.8485	0.1628	0.1526	0.2209	0.1458	0.5735	0.5396	0.1606	1.7100	0.1427	0.0290	1.5010	0.2178	0.1320	0.1983	0.1025	0.0766	0.3907	0.4634	0.3651	0.7797	0.2225	0.1240	0.3133	7.2207	5.4845	0.4569	0.4687	0.3362	0.3034	0.0726	0.0605	0.1921	0.2530	0.3110	0.2678	0.2343	0.5426	0.3180	1.9405	0.5162	0.3059	0.2963	0.1567	0.5851	0.4440	0.4392	0.5455	0.2260	0.3214	0.5764	0.9688	1.0738	0.3882	0.5562	0.8057	3.7020	1.2314	1.8333	0.7656	0.4316	0.9095	1.0102	0.5748	0.5646	0.6218	1.7536	0.8910	0.0198	0.3411	3.3029	1.3027	8.0280
NSC 60689	1.5939	1.0079	1.3332	1.2880	1.0081	1.0928	1.1560	0.9756	0.9578	0.9123	0.9971	1.1883	1.2015	0.8503	2.1067	1.6947	1.1616	1.5534	1.2681	1.0337	1.1606	1.3769	1.1426	1.4636	1.2685	1.2377	1.6690	1.8222	1.6400	1.7059	1.4656	0.9465	1.9408	1.6997	1.2275	1.4270	1.4253	1.4070	1.2912	1.3449	1.2594	1.4437	1.7674	1.4832	1.2486	1.3686	1.3774	1.1663	1.1399	0.9946	0.8986	1.6649	1.4455	1.1210	1.6061	1.9922	1.2101	1.0071	1.1776	1.2295	1.3957	1.1803	1.1282	1.0338	1.3853	1.4380	0.9153	1.1045	1.2538	0.9430	1.6555	1.0742	1.5177	1.0439	1.3338	1.1372	1.1962	1.3122	1.6048	1.0501	0.9114	0.8213	0.7916	0.8601	0.8530	0.8597	1.3984	1.1306	0.8429	1.1747	1.3494	0.8782	2.0458	0.9764	1.2059	1.6590	1.7568	0.8028	1.2686	1.0220	1.1634	1.0462	1.3066	0.9837	0.9741	1.0049	0.9111	0.8765	1.3421	1.1232	0.9607	1.1797	0.8755	1.3306	1.3445	1.0165	1.4136	1.1168	1.2646	1.2424	1.7615	1.1542	1.2626	0.9562	1.4671	0.8905	1.1321	1.0500	1.0368	0.9273	0.9750	0.8826	0.8039	0.8909	0.8635	0.9859	0.9289	0.9256	1.1082	0.8736	0.7687	0.8129	0.9326	0.0015	0.9109	0.8871	0.0033	0.6458
NSC 622050	1.0701	1.3305	1.2121	0.8946	1.6684	1.4559	1.1595	1.2403	1.8833	1.2726	0.8547	1.4781	1.3820	1.4420	1.4320	0.7781	0.8275	1.2342	1.1548	0.7746	0.9158	1.1060	0.9769	0.8967	0.8305	0.9531	0.9888	1.1634	1.0043	0.8556	0.7349	1.2132	1.4799	1.2964	0.6745	0.9070	1.4109	1.4265	1.0812	0.7296	0.9685	1.4715	0.7065	0.8956	0.8027	0.7147	1.1815	0.9686	1.5566	1.2473	1.3818	0.9265	0.9354	1.1951	1.5387	1.4470	1.1283	0.8223	0.8530	1.1668	0.9969	0.8683	1.1746	0.9808	0.8870	1.1687	1.6596	1.5886	0.7554	0.9098	1.3571	1.0360	0.9951	0.8120	0.9736	0.7192	1.4209	1.4999	1.0863	0.9710	1.1822	1.4776	1.4346	0.7400	1.1257	0.9691	2.6359	0.8777	0.8021	0.9466	1.0981	1.0253	1.3102	1.2965	0.9697	1.0814	1.0352	0.9469	1.5024	1.1236	1.2663	1.4540	1.3897	1.1321	1.2080	1.3262	1.2740	1.3753	1.0004	0.7935	1.1757	1.0208	0.6533	0.7842	1.0292	1.5017	1.1244	0.5534	0.5966	1.2079	0.8936	0.9871	1.0089	0.9391	0.7618	1.0116	0.8169	1.3366	1.1562	0.9446	0.9979	0.9357	1.4675	0.8658	0.6796	0.8726	1.0730	0.5475	1.1325	1.5005	0.8579	1.5449	1.1745	0.0401	0.8597	1.0007	0.7254	0.6767
Omeprazole	0.0429	0.0465	7.3340	0.0461	1.0222	0.0531	0.0349	0.0374	0.0409	0.0385	0.0410	0.0422	0.0390	0.0502	0.0433	0.0467	0.0408	0.0372	0.0368	0.0550	0.0488	0.0630	0.0437	0.0358	0.0464	0.0603	0.0528	0.0461	0.0431	0.0486	0.0357	0.0358	0.0425	0.0342	12.6338	0.0311	0.0380	0.0370	0.0451	1.9852	26.7191	0.0379	0.0342	0.0421	0.0392	0.0353	37.0304	10.1194	0.0424	0.0381	17.9009	0.0338	0.0408	0.0448	0.0479	0.0376	0.0424	0.0386	0.0687	0.0363	0.0427	0.0539	0.0388	0.0356	0.0377	0.0362	0.0323	0.0384	0.0334	0.0405	0.0377	0.0366	0.0546	0.0330	3.7711	1.1132	0.0372	0.0387	0.0455	0.0444	0.0377	0.0366	4.3187	0.0609	0.0612	0.1187	0.0398	0.0505	0.0450	0.0424	0.0403	0.0412	0.0513	0.0451	0.0535	0.0613	0.0582	0.0387	0.0500	0.0418	0.0419	0.0530	0.0416	0.0518	0.0369	0.0445	0.0524	0.1111	0.0494	0.0346	0.0445	0.0350	38.3284	0.0397	0.0358	0.0488	0.0400	0.0549	0.0401	3.3442	0.0640	0.0730	0.0612	0.0456	0.0385	0.0442	0.0456	0.0633	0.0386	0.0452	0.0794	0.0526	0.0528	0.0393	0.0505	0.0514	0.0519	0.0417	0.0497	0.0652	0.0366	0.0417	0.0420	0.0179	0.0502	0.0545	0.2045	0.0396
oxisuran	16.7917	0.2762	0.1285	0.1123	10.4159	2.0127	0.1128	0.1935	0.1145	0.0986	0.2378	0.1131	0.1062	0.1347	0.1882	0.0961	0.1039	0.1585	0.1115	0.1025	0.1087	0.1011	0.1035	0.1049	0.1534	0.1215	0.1058	0.1048	0.1123	0.0994	0.1339	0.1201	0.0939	0.1089	0.1578	0.1205	0.1164	0.1740	0.1121	0.1539	0.3112	15.4522	0.1111	0.1398	0.1069	0.1184	16.4680	11.5271	0.1113	0.2222	0.1080	0.1066	0.1070	0.1128	0.1233	0.1219	0.1236	0.1056	7.4807	1.5250	0.1162	0.1170	0.2325	0.1058	0.1101	0.1183	0.1104	0.0993	0.1665	0.1174	0.1129	0.1007	0.1063	0.1106	0.1034	6.3518	0.1101	0.1149	0.1163	0.1079	0.1870	8.0001	0.1134	0.1324	0.3045	0.1379	0.2843	0.1269	0.2594	0.1255	0.7263	0.1217	0.1581	0.1494	0.1072	0.1368	0.1107	0.1208	6.2303	0.1590	0.1139	3.5519	0.1065	0.1351	0.1523	3.2981	0.1379	0.1912	0.1034	0.1122	0.1083	0.1120	0.1120	0.0986	0.1314	0.1347	0.1113	0.1822	0.1111	0.1556	0.1747	0.1253	0.1107	0.1038	0.1041	21.7799	0.1133	0.1137	1.5897	0.2002	0.1085	0.1362	0.1122	0.8161	0.1530	0.2258	0.1202	0.1641	0.1524	0.1359	10.5143	0.1440	0.1119	0.0706	0.1681	0.1200	0.4872	1.9490
Palmitoleicacid	0.6594	1.8014	0.8049	0.6594	1.2008	1.0812	0.8081	1.1789	1.0194	0.6683	1.8458	1.3641	0.7267	2.3155	1.6521	0.5361	1.1410	0.7989	0.6947	0.7627	1.1686	0.6601	0.4272	0.6937	0.5846	1.0845	0.9269	3.0042	2.2926	0.2377	0.3594	2.1608	0.8932	0.8235	0.6703	0.5512	1.1097	0.7568	0.8322	0.3914	1.2004	3.0416	0.7923	1.0386	1.6323	0.7601	0.9305	0.2726	0.8267	0.3943	2.1094	1.2050	0.5560	1.0473	1.3213	1.0473	1.5741	0.6372	1.4215	0.8831	0.8873	1.1386	0.9430	0.6637	0.8308	0.8130	0.6169	0.8170	0.5553	0.7174	0.5316	0.4107	0.8850	1.2088	1.1644	0.4543	1.4792	2.6196	0.5118	0.7154	0.4266	0.7128	1.3795	0.8742	0.8216	1.5783	1.0525	0.4239	0.2718	0.7351	0.5439	0.3695	1.5301	2.2859	1.1047	1.0652	1.8921	1.2421	2.0325	1.2317	1.3724	1.5603	1.1513	1.0567	0.6772	1.1246	1.5204	0.9832	0.6298	1.0608	0.8326	1.8633	0.9704	0.5053	0.8776	0.7700	1.5402	0.8555	0.5232	1.0126	1.0329	0.5884	0.8403	0.7266	0.2131	1.3727	1.6420	2.0403	1.0576	1.7313	0.9667	1.8184	1.2452	0.4953	0.3329	0.8303	0.4075	0.8851	2.0709	0.7087	0.6681	0.3660	3.4250	0.0011	0.5040	1.5634	1.0869	1.0997
Panosialin B	0.0308	0.1987	0.8496	3.2882	0.0575	0.0749	0.3920	0.4456	0.3579	0.4635	0.2596	0.0762	0.2491	0.8385	0.7829	0.1803	0.8579	0.0573	0.0881	1.1642	0.7550	1.4455	0.9813	0.2412	3.4113	0.4686	0.4774	0.4114	0.7265	0.1879	0.0886	0.6356	0.5351	0.6299	1.2783	0.2924	0.4832	0.9235	0.2860	0.2244	0.2825	0.4183	0.1355	0.2868	2.6935	8.7638	0.0806	0.0744	0.3118	0.4361	0.3328	0.2075	0.2225	0.5558	0.6091	0.6949	0.3797	1.0686	0.1498	0.9045	3.5153	0.9495	0.6527	0.7857	0.2129	0.3675	1.7403	0.3029	0.0946	2.5136	0.1730	0.7383	0.2178	0.3094	0.1390	0.0729	0.3973	6.6839	3.3923	4.4984	1.4823	0.6641	0.1182	0.4209	0.2178	0.5471	0.8682	1.4845	1.6782	0.2862	0.5526	1.4524	0.4489	5.2360	0.2433	0.2230	1.2494	3.4095	2.8914	1.5118	1.2698	0.2082	0.3132	0.5465	1.5661	0.1303	0.0732	2.0854	12.0607	0.1751	0.2973	9.9550	0.2350	1.4646	0.0555	1.8062	4.3657	0.3154	0.2219	0.2165	3.4858	0.4267	0.9022	0.4394	0.1670	0.1145	0.3619	0.4613	0.1935	0.1719	0.4784	0.4143	1.4915	0.3136	0.1115	0.1304	0.2231	6.8253	0.2823	5.0264	0.1072	0.3348	0.2521	0.0067	0.4951	1.7660	0.7637	0.8904
Panosialin wD	0.1965	0.2840	1.0058	3.7323	0.0747	0.0950	0.3381	0.2171	0.3160	0.1433	0.2253	0.1149	0.1848	1.1730	0.4377	0.1315	0.6021	0.0925	0.1578	1.0833	0.5170	1.5412	1.1392	0.3451	1.9435	0.7345	0.6058	0.4564	0.6544	0.1451	0.0906	0.3890	0.2221	0.8983	1.2022	0.2037	0.4759	0.6067	0.2659	0.2483	0.0470	0.0453	0.2350	0.3231	4.0139	4.3167	0.0968	0.0679	0.3805	0.3682	0.3140	0.2116	0.4024	0.5586	0.5140	0.6901	0.4191	0.4317	0.1981	0.7520	5.1765	0.6736	0.8357	0.8634	0.2379	0.2323	1.9954	0.1689	0.1919	2.9599	0.2083	0.4798	0.1763	0.2569	0.1970	0.1836	0.3700	1.3609	3.8914	4.0206	2.6491	0.6536	0.0882	0.3274	0.1775	0.2792	1.1040	1.7252	1.9513	0.4714	0.3582	0.9447	0.4698	5.3243	0.2628	0.1600	0.7731	4.1024	1.7469	1.0628	1.3093	0.2173	0.2879	0.5832	1.2209	0.1272	0.1230	3.0116	8.4480	0.2294	0.4299	5.6933	0.1060	1.9985	0.1299	2.1816	4.9791	0.1814	0.3379	0.4819	3.3688	0.6153	2.2504	0.6746	0.1162	0.3790	0.3937	0.2468	0.3292	0.3275	0.7428	0.2804	3.1517	0.4316	0.1888	0.1349	0.3050	7.3468	0.2059	11.5966	0.1862	0.2550	0.2076	0.0066	1.0068	3.6163	0.8405	0.9506
Pantothenicacid(VitaminB5)	1.2999	2.4922	0.6934	1.3566	0.5534	1.5220	1.1110	1.3187	0.6524	2.0992	1.6474	0.4835	0.2269	0.8233	1.0571	0.0059	4.0508	3.4769	3.2355	0.7924	1.8465	0.8700	1.7609	3.2162	1.7688	1.0885	0.5497	1.3378	1.2299	1.1608	6.2766	0.3947	0.4922	0.4039	4.1404	1.2331	0.7980	1.3928	0.8824	5.0229	1.3082	1.1408	0.7586	1.9772	1.0195	1.1939	0.4817	0.4985	0.7559	1.2527	0.7482	1.4218	0.6666	1.2022	2.2489	3.1906	0.6333	0.2330	0.9570	0.6306	1.0365	0.6054	0.5241	0.4831	1.0197	1.8902	0.6538	0.8453	1.1998	1.3282	0.4271	0.2740	0.0116	1.9198	0.7522	0.5998	0.7741	0.4660	0.5743	0.4533	0.5032	0.0107	0.6922	0.4017	0.6161	1.3086	0.4520	0.5718	1.4966	0.6858	0.4519	0.8165	1.6817	1.3801	0.0080	0.6280	0.4157	1.3857	0.0245	0.0239	0.4934	5.2376	0.7341	0.3617	0.0064	1.2294	2.0481	0.0069	0.4969	2.0804	1.4788	0.2800	2.2009	0.6754	1.0850	0.6022	0.5626	0.0217	0.9037	0.4821	0.9814	0.9630	0.6556	0.5810	0.5533	1.3085	0.8009	0.7415	0.4126	1.7185	0.3543	1.1826	0.5384	0.7551	0.3519	0.9515	0.6194	1.4525	0.5674	0.6002	0.7102	0.4775	1.0182	0.0076	0.9833	5.9233	0.6246	0.3822
paracetamol sulfate	21.7784	0.4988	0.0126	0.0416	6.3342	2.5572	0.0100	0.0136	0.0125	0.0115	0.0470	0.0150	0.0149	0.0185	0.0172	0.0101	0.0133	0.0111	0.0125	0.0242	0.0140	0.0154	0.0117	0.0102	0.0403	0.0159	0.0126	0.0154	0.0144	0.0637	0.0775	0.0603	0.0170	0.0181	0.0145	0.0132	0.0173	0.0144	0.0130	0.0090	0.0098	6.1004	0.0108	0.0132	0.0152	0.0101	11.7827	7.9197	0.0126	0.0103	0.0424	0.0352	0.0099	0.0147	0.0125	0.0120	0.0166	0.0624	38.5646	3.1404	0.0236	0.0118	0.0130	0.0139	0.0249	0.0129	0.0113	0.0185	0.0094	0.0135	0.0257	0.0143	0.0169	0.0212	0.0287	3.7428	0.0121	0.0169	0.0108	0.0146	0.0102	9.5976	0.0155	0.0086	0.0530	0.0508	0.0121	0.0106	0.0192	0.0118	0.3706	0.0098	0.0157	0.0204	0.0116	0.0167	0.0124	0.0146	9.2448	0.0135	0.0614	0.9612	0.0125	0.0688	0.0184	1.9024	0.0163	0.0322	0.0170	0.0116	0.0138	0.0145	0.0369	0.0138	0.1181	0.0127	0.0189	0.0118	0.0110	0.0169	0.0865	0.0112	0.0238	0.0423	0.0153	13.3216	0.0160	0.0193	1.3234	0.0162	0.0150	0.0679	0.0181	0.6970	0.0169	0.0127	0.0217	0.0127	0.0173	0.0154	3.7480	0.0083	0.0196	0.0013	0.0089	0.2271	1.3314	1.4015
Paraxanthine	1.5046	0.0499	0.6361	0.1433	1.9787	0.2802	1.9746	0.5418	0.0557	0.0554	0.2889	0.8354	0.0694	0.0022	0.7675	0.2494	0.0100	0.5432	0.1414	0.7032	0.3209	0.1865	0.0283	0.0021	0.1243	0.4016	1.1843	0.5177	0.9616	0.6535	3.5701	1.2428	0.0871	2.1152	0.9646	0.2675	0.4663	0.0646	3.4187	1.8238	1.4777	4.0314	1.8088	1.0311	1.0842	0.5087	2.0062	2.0854	0.8946	0.1270	0.9099	0.6950	0.3786	0.2013	0.0281	0.3074	0.2735	0.3703	1.4137	1.2960	2.4955	2.1148	0.6783	0.0445	0.0619	0.3316	0.0929	2.2480	0.0501	0.1122	2.0712	1.0386	0.0027	0.0200	0.3596	0.4150	3.9354	2.2475	1.3715	1.8495	0.8678	0.1779	1.4104	0.0046	0.6345	0.3069	0.0046	1.0676	1.0141	1.9096	0.5336	0.0578	0.4261	0.3001	2.7300	0.6330	1.9339	0.4806	1.0460	1.0714	1.4606	15.8423	0.0352	0.8612	2.0275	0.6567	3.1074	0.1432	0.2926	0.2621	2.3469	0.0023	0.0173	0.1015	1.8266	2.9547	2.0163	0.0039	0.6087	1.3390	3.8490	0.4860	2.7381	1.4803	0.0021	0.3154	0.0026	0.4736	0.0125	2.5172	0.2055	1.5145	0.0347	4.3325	0.0072	1.4795	0.8145	0.0037	3.0778	1.7997	0.0454	1.5763	1.0659	0.0020	0.0129	0.6109	1.0819	0.8356
p-cresolsulfatepotassium;p-Cresolsulfate	0.8203	1.1395	0.8277	1.8597	1.0235	0.6409	0.7823	0.9659	0.1549	0.3815	1.5797	0.0998	0.5120	0.3502	0.8301	0.1083	0.6241	1.8791	1.7469	0.1457	1.3421	2.0070	1.3995	0.0319	0.6076	0.8869	0.1745	0.6984	0.7053	0.8953	1.4136	2.6458	0.2007	1.5257	1.6738	0.9553	0.3540	0.8457	0.2554	1.0591	2.8446	3.9160	1.1140	1.6790	1.7752	2.2054	0.4523	0.7425	0.1160	0.2452	0.9078	1.6876	0.1186	0.6691	0.3888	1.0660	0.5737	3.0105	0.2022	0.0974	1.9350	0.9774	0.4703	0.0913	0.5043	0.0146	0.3598	0.8632	0.4744	0.9129	1.2744	1.6629	0.6230	0.8653	1.4952	2.2054	1.4707	1.5658	0.8027	0.7722	1.1989	1.7570	0.3601	0.2369	1.9583	1.9886	0.1036	1.0624	1.9659	1.2132	0.2970	1.3735	1.2661	1.2939	0.7608	1.4767	0.8098	1.5494	0.9870	0.6302	1.5381	0.1451	1.2320	1.3295	1.0156	1.3094	2.3598	1.7070	1.7733	2.5239	1.5379	1.6894	1.2885	1.7822	2.6666	0.8534	1.9654	1.2685	1.4835	0.5755	0.7523	0.5126	1.5458	1.8973	1.9601	1.6242	0.0133	0.2740	0.0158	2.2757	0.9130	1.0472	1.0295	0.4694	0.8055	1.0000	1.6129	0.9116	1.3012	1.3872	1.7101	1.0228	0.8970	0.0010	0.2449	1.9210	0.7755	0.8433
PE(16:0/0:0)1	0.7253	0.7553	0.7525	1.3257	0.8154	0.7228	0.6064	1.3447	0.5598	0.9119	0.9959	0.8717	1.4543	0.5036	0.9467	1.2519	0.9562	0.9873	0.9119	0.7320	0.9318	0.6478	1.0999	0.8748	0.7294	0.6476	0.9682	0.6104	0.5536	1.0521	0.9540	0.8351	0.8883	0.6587	1.3851	0.9692	0.9224	1.2035	0.9256	1.3657	1.4860	1.5569	0.9543	1.5066	0.4848	0.8603	0.8882	1.0259	0.7002	1.2569	0.6653	1.1246	0.7881	1.1878	0.6776	0.8267	0.6773	0.9111	1.0859	0.8095	0.8810	1.1875	1.2967	0.8818	0.8974	1.0510	0.4124	0.8425	0.9466	0.7714	0.6660	0.8595	1.0656	1.1577	0.6052	1.1696	0.6819	1.0990	0.8644	1.1154	0.6946	1.9568	1.4392	2.6979	1.0343	0.6961	1.2238	0.6794	0.8739	0.9717	0.5438	0.7979	0.6306	0.9435	0.7443	1.1896	0.9030	0.7280	1.0795	0.6331	0.8801	0.8428	0.8116	0.8615	1.1360	0.6957	0.6365	1.0136	0.6969	0.7870	1.0474	0.6336	0.9806	0.8448	1.0860	1.2849	0.6216	1.7564	1.1247	0.4307	0.7419	0.9774	0.7313	0.7250	0.9398	1.0493	0.6510	0.7458	0.9296	1.4269	0.6029	1.2443	1.0574	1.3515	0.8529	1.4443	0.9764	0.8712	0.9805	1.5951	0.9844	2.0199	1.3520	0.0072	0.9756	0.8639	1.7173	1.3007
PE(18:0/0:0)2	0.8003	0.7956	0.8125	1.0582	0.7418	0.8031	0.7541	1.1230	0.7403	0.8831	0.7700	0.8290	1.1744	0.6907	0.9692	0.8427	0.9098	0.6646	0.9692	0.7969	0.8412	0.6953	1.0169	0.7476	0.6045	0.7094	0.7631	0.6627	0.6771	0.8991	0.8933	0.8656	0.7423	0.6598	0.9245	0.8306	0.8391	1.1250	0.7151	0.9108	0.7811	0.9640	0.9018	1.1204	0.6574	0.7979	0.8456	0.7992	0.7958	1.1372	0.7088	0.8935	0.9034	0.9330	0.8041	0.8174	0.6883	0.7124	0.7543	0.6511	0.9436	0.9766	0.7999	0.8159	0.9146	0.9895	0.6351	0.7892	0.7672	0.7653	0.7604	0.9305	0.8792	0.8884	0.7296	1.1741	0.6545	0.9682	0.8404	0.8833	0.8345	1.4007	1.3573	1.5252	1.2651	0.6873	1.3311	0.7807	0.9308	1.0130	0.6934	0.8108	0.8974	1.3727	0.9902	1.1835	0.8076	0.7851	1.3044	0.8662	0.9779	1.2022	0.8424	0.9635	0.7901	0.7347	0.6576	1.0870	0.7709	0.6564	1.0959	0.9273	0.7139	0.8944	0.9097	1.6568	0.7344	1.2622	1.0291	0.4883	0.7501	1.2123	0.9757	0.5926	0.8103	0.8503	1.0418	0.5948	0.9971	1.2209	0.8317	1.0538	1.0307	0.9787	1.0421	1.2282	1.3951	0.8757	0.6885	1.2490	0.9788	1.2981	0.8645	0.0012	1.1311	0.9469	2.1138	1.3998
PE(19:0/0:0)	0.8447	0.8875	1.0249	0.9296	0.9850	0.7747	1.0066	1.3123	0.8282	0.9042	0.7295	0.6208	0.9285	0.2748	0.8450	0.5643	0.6670	0.5891	1.1497	0.9505	0.6164	0.6548	1.0377	0.8178	0.5489	0.6268	0.5831	0.7013	0.5835	0.9592	0.9198	0.9235	0.8602	0.8071	0.8525	0.6443	0.9489	1.1758	0.7449	0.5881	0.7482	0.2596	1.1455	1.3778	0.5895	0.7518	0.6387	0.9791	0.6399	1.0209	0.6241	1.2460	0.9007	1.0025	0.9987	0.8995	0.5510	0.7264	0.6397	0.5677	0.6635	0.5584	0.7299	0.7448	1.0101	1.1637	0.5259	0.4739	0.9806	0.8222	0.8231	0.8526	0.6491	0.6971	0.6816	1.3222	0.5609	0.8276	0.8611	0.9034	0.5084	1.1964	0.9542	1.0848	1.4033	0.6057	1.2480	0.7222	1.0074	1.1347	0.7521	0.8946	0.7384	1.4558	1.0360	1.2851	0.7596	0.9037	1.6802	1.1064	1.1450	1.3215	1.0239	0.8991	0.8072	0.7367	0.7150	1.1400	0.6130	0.8107	1.2694	1.1371	0.5728	0.9323	0.8439	2.0419	0.6106	0.6681	1.1741	0.4978	0.6535	1.2621	1.4319	0.5419	0.8100	1.1227	1.0772	0.5305	1.1808	1.0323	1.0851	0.7707	1.2502	1.1094	1.4368	1.3767	2.0217	0.9378	0.6935	1.3250	1.3668	1.2926	0.9107	0.0526	1.6458	1.1462	2.0325	1.4702
PE(20:0/0:0)	0.6739	0.4901	0.9604	0.7905	0.7532	0.7393	0.7258	0.8642	0.7006	0.5424	0.6035	0.6346	0.7644	0.6514	0.5114	0.6882	0.5580	0.5120	0.9967	0.8088	0.6759	0.6886	0.9667	0.6975	0.4067	0.6406	0.5577	0.5831	0.5327	0.9030	0.7345	0.5741	0.8739	0.7662	0.5623	0.6761	0.8593	0.8915	0.5892	0.7848	0.5911	0.5281	0.8029	0.9745	0.6080	0.6446	1.0941	0.8568	0.5901	0.9402	0.6528	0.8833	0.9360	0.6801	0.6514	0.7372	0.6271	0.5556	0.5832	0.6122	0.7112	0.6678	0.6599	0.6088	0.7731	0.9195	0.0387	0.6355	0.7662	0.7193	0.7166	0.7058	0.7806	0.6467	0.7399	1.5222	0.7262	0.7531	0.8664	0.9614	0.8541	1.1630	1.4727	1.2243	1.0877	0.3780	1.3355	0.6040	0.9679	1.1945	0.5136	0.6449	0.6526	1.1084	1.0820	0.9050	0.6133	0.7059	1.7761	0.9475	1.0058	1.0243	0.7054	1.0852	0.8273	0.6334	0.6932	1.2060	0.6664	0.7426	1.1767	1.1138	0.4510	0.6827	0.8198	1.5987	0.7547	1.0503	1.0235	0.4771	0.6129	1.0931	1.1369	0.3485	0.8095	0.8816	0.7236	0.4290	1.0890	1.2437	1.0911	0.7469	1.0725	0.7854	1.1575	0.9993	1.3728	0.8763	0.4440	1.1624	1.0355	1.1343	0.5204	0.0070	1.2855	1.1075	2.7822	1.3769
PE(20:2(11Z,14Z)/0:0)	0.8651	0.6753	1.0026	1.0095	0.6681	0.6948	1.0974	1.3842	0.7595	0.3886	0.5631	0.6844	0.8731	0.7469	0.7211	1.0623	0.5879	0.8143	1.0268	1.1583	0.8881	1.0294	1.6160	0.7404	0.5450	0.9512	0.8016	0.7297	0.5817	1.5414	1.0311	0.5891	0.8340	0.7834	1.0030	1.1521	1.4140	1.0436	0.5224	0.8436	0.4644	0.7906	0.9670	1.4142	0.7520	0.6951	0.9885	0.9994	0.6145	0.9288	0.9633	0.9236	1.1432	1.0010	0.6937	0.7401	0.6610	0.7235	0.6638	0.6259	1.2272	0.8958	0.8436	0.7363	0.9970	1.1326	0.7864	0.7932	0.8250	0.6225	0.9889	0.8503	0.8142	0.7744	0.8735	1.6004	0.4864	0.7708	1.2249	1.3884	0.9565	1.5211	1.3771	3.5281	1.3831	0.4171	1.3349	0.9447	1.1766	1.3501	0.4737	0.6276	0.9271	1.2096	1.2900	0.9721	1.4216	0.7653	1.3430	1.4390	1.4609	1.1721	0.6859	1.3494	1.0932	0.6514	0.5976	1.1955	0.5474	0.9531	1.6444	0.8200	0.3336	0.7698	1.0549	2.4183	0.8276	1.6607	2.4222	0.4076	1.2899	2.0712	1.2034	0.5212	0.7265	1.2193	1.2177	0.8601	1.3179	1.9072	1.1153	1.5039	1.3633	1.0341	1.7343	3.1489	1.9553	1.0958	0.4491	2.8978	1.4817	1.3402	0.8028	0.0037	2.0292	1.7841	0.9817	1.4673
PE(20:4(8Z,11Z,14Z,17Z)/0:0)	0.9081	1.0947	0.9447	1.1408	0.7739	0.7200	0.9556	1.5447	1.0787	0.7046	0.9156	0.9755	1.6562	0.8994	1.3122	1.3751	1.3151	0.8500	0.8308	0.9286	1.3080	0.9333	1.3609	0.8647	0.7093	0.7723	1.1758	0.8390	0.6445	0.9773	0.9157	1.2786	1.1514	0.9012	1.7901	1.3136	1.5624	1.4852	1.0472	0.9987	0.5332	1.0005	0.8734	1.1646	0.6769	0.9438	1.0895	1.3039	1.0452	1.5924	0.7704	1.2882	0.7336	1.1509	0.8301	0.8965	1.0759	1.1253	1.6214	0.7101	0.8450	1.2123	1.3282	1.0836	1.1455	1.3267	0.6964	0.9190	0.7568	0.6564	0.8735	0.7612	1.3543	1.1614	0.7837	0.9296	0.6011	1.1488	1.2591	1.2314	0.9739	1.9681	2.0865	2.2417	1.4754	0.7061	1.4804	0.7055	0.8570	1.4000	0.5714	0.7904	0.9948	1.4096	1.1454	1.2413	1.8613	0.9159	1.4745	1.0095	0.9743	1.0491	1.0165	1.0968	0.9877	0.6735	0.7102	1.3758	0.6160	0.9138	1.6279	0.6740	0.7363	0.9603	1.3601	1.2405	0.9548	1.6921	1.4829	0.4236	0.9185	0.9036	0.7786	0.5612	0.8944	1.2555	1.2604	1.2655	1.7615	1.2253	0.7886	1.3605	1.2468	0.9261	0.7744	1.3407	1.6493	0.7021	0.6589	0.8904	1.6103	1.1748	1.0546	0.0029	1.2266	1.1118	0.8260	1.3948
Peneciraistin C	0.1847	0.2435	0.2221	0.2046	0.2548	0.2735	0.1734	0.3344	0.3202	0.1705	0.4109	0.1955	0.1851	0.2328	0.3916	0.6647	0.1884	0.2739	0.2013	0.2372	0.1801	0.1790	0.1841	0.3232	0.2001	0.2750	0.2032	0.2250	0.2267	0.1754	0.2314	0.2195	0.1730	0.1920	0.3212	0.2792	0.1861	0.3007	0.2360	0.2660	114.5929	0.4588	0.1963	0.2724	0.2127	0.2045	0.1951	0.1677	0.2094	0.3839	0.1941	0.1966	0.2144	0.2362	1.9753	0.2156	0.2223	0.1867	0.2004	0.1892	0.2008	0.2252	0.4018	0.1872	0.4133	0.2063	0.2828	0.1819	0.2877	0.2806	0.2181	0.1771	0.2024	0.2149	0.1850	0.1935	0.2152	0.1985	0.2009	0.1870	0.3232	0.2924	0.2427	0.2171	0.3037	0.3266	0.2708	0.2192	0.2365	14.6108	0.1883	0.2102	0.2732	0.2581	0.1890	0.2294	0.7200	0.2389	0.2133	0.1872	0.1751	0.2368	0.1832	0.2335	0.1734	0.2085	0.1956	0.2318	0.1946	0.1992	0.2213	0.1994	0.2399	0.1868	0.1981	0.2136	0.1976	0.3148	0.2110	0.2168	0.3238	0.1943	0.2028	0.1905	0.1987	0.2319	0.2230	0.3474	0.1832	0.3460	0.2044	0.2353	0.2266	0.8351	0.2193	0.3902	0.2511	0.2836	0.3256	0.2349	0.2988	0.2488	0.1934	0.1798	0.2905	0.1993	0.2111	2.0183
Perfluoro-1-octanesulfonic acid (PFOS)	1.0314	1.0243	0.7839	0.5962	0.4314	0.6701	0.6586	0.6370	0.3604	0.3227	0.6619	1.0043	1.1571	0.6543	0.8277	0.8079	0.4870	0.2052	0.2413	0.6439	0.7188	1.6889	1.5979	0.4830	0.4739	0.6844	0.2984	1.4523	1.3150	1.3772	1.2471	1.1413	0.3208	0.1927	1.8253	1.2593	1.4674	1.3514	1.1300	0.9583	1.7129	1.7286	1.1459	1.1923	0.6497	0.6404	1.0575	0.7605	0.5696	0.4856	0.9595	0.9905	0.5817	0.5121	0.4010	0.4515	0.5198	0.4151	0.1039	0.3611	0.6062	0.6478	0.8346	0.9056	2.2273	2.1429	0.5170	0.3937	0.5993	0.5550	0.2571	0.2909	2.9547	0.8259	2.0430	1.8189	0.9025	0.8703	0.7052	0.6014	0.8839	0.8306	0.2955	2.6005	0.2956	0.3442	1.2020	0.6315	0.5141	1.2887	0.2354	0.2345	0.4727	0.4110	0.4074	0.5743	0.5794	0.5082	0.7652	0.5913	0.7177	0.8023	0.7823	0.7684	0.5968	1.8672	1.6000	0.4455	0.4005	0.6617	1.3163	0.6744	0.5216	0.2935	4.4920	0.2634	1.2434	2.4353	0.1519	1.1385	0.4168	1.0463	0.5249	0.9052	2.5595	1.5549	0.8222	2.9376	1.8137	2.1582	1.7280	2.8132	1.0339	1.8496	2.4776	2.8447	3.7106	1.3379	6.4071	3.1051	2.8068	1.8673	2.7365	0.0057	1.7159	0.6410	0.7038	2.5378
PG(16:0/18:1(9Z))	0.3661	0.8592	1.0745	1.3924	2.0756	1.0351	1.7627	0.5736	1.3116	0.6689	1.8172	1.3165	1.5768	1.0838	0.1343	2.4644	1.0258	1.1699	1.6080	0.7666	2.8928	2.0884	1.4545	1.7597	1.0415	0.8912	0.6297	0.9886	0.5039	2.0761	1.5069	0.7087	0.7702	1.1030	1.6220	2.6366	0.4330	1.4692	1.4434	3.8895	0.8178	1.0468	2.2880	1.9355	1.3033	1.1732	1.1507	1.5809	0.9316	0.4903	0.7547	1.3721	1.2065	1.6765	1.5197	1.9738	1.5181	2.2197	0.4987	1.3964	2.3945	1.2505	2.1796	2.8443	1.7621	0.8528	3.4643	3.2260	3.4301	1.2355	1.4424	1.2703	1.6616	2.6353	2.7815	0.8575	1.7804	1.2857	1.8748	0.7577	0.4000	0.1186	0.1294	0.2620	0.1522	1.8591	0.1247	1.5189	0.6686	0.2290	0.4056	1.0969	0.2108	0.0679	0.0882	0.3470	0.3010	1.1479	0.0541	0.1027	0.2583	0.1018	0.8876	0.1187	1.7207	0.3613	0.2710	0.2157	0.8602	0.7554	0.1208	0.8400	1.4314	1.4026	0.8075	0.1095	0.6281	0.3447	1.3034	0.4521	0.8960	0.2025	0.6012	0.4609	3.3772	0.3348	0.3845	0.8385	0.1591	0.0935	0.4903	0.9027	0.1525	0.3267	0.3537	0.1447	0.1447	0.7499	1.2957	0.0573	0.5686	0.0668	0.2782	0.0795	0.1350	0.2396	0.9336	0.9106
Phenylacetaldehyde	1.0593	0.2528	0.5560	0.1735	1.1145	0.1750	0.3885	0.2128	0.2707	0.1890	0.5071	0.6123	0.4555	0.5005	1.2642	0.6788	0.1706	0.7786	0.4454	0.6917	0.7563	0.2781	0.3846	0.3654	0.6374	0.1625	0.5964	0.4404	0.5681	1.0484	0.2370	0.7508	0.3079	0.3449	0.8997	0.1978	0.7846	0.6572	0.7744	0.5353	7.9072	0.5677	0.4400	0.7324	0.6722	0.7625	1.4785	0.8180	0.7149	6.4816	1.1788	0.5273	0.7707	0.3717	1.3435	0.6359	0.3985	0.4608	1.6324	1.0261	0.5253	2.0823	0.4568	0.7585	1.0808	1.2520	0.4749	0.2337	0.5438	0.7869	0.4462	0.4411	0.8334	0.2585	0.7905	0.8214	0.7776	0.4959	0.7630	0.8237	0.8599	0.3956	1.4303	2.9920	0.2490	0.7651	0.5907	0.8616	0.2308	3.0018	0.7709	0.5317	2.4861	0.7352	0.2266	0.5724	0.3568	0.6890	0.3276	0.9539	1.0604	0.3026	0.3696	1.0467	0.4663	0.4989	0.6258	0.2274	0.9226	0.4404	0.5643	0.9883	0.3975	0.3221	0.9143	5.1838	0.4901	1.0740	0.4743	1.0380	2.0601	1.3522	1.0007	0.6019	0.6956	0.4511	0.4568	0.4814	0.3217	2.2756	0.3812	1.0075	0.7937	3.3352	0.6163	1.4015	1.3324	3.1810	1.4155	0.8289	0.6047	0.4082	0.1976	0.0695	1.1994	0.3252	2.2950	0.8027
Phthalic Acid, Bis-Propyl Ester	0.5608	0.3506	5.9493	1.0508	0.5776	0.3924	0.2651	1.1807	0.2821	0.2370	0.2991	0.4055	0.2589	0.7824	0.6475	0.4680	0.3039	2.4055	2.5410	1.1418	0.3718	0.4231	0.7108	1.5914	0.4477	4.0464	0.7988	0.3368	0.3066	0.7659	0.2693	0.3014	0.3136	2.3821	0.5417	1.8089	12.1292	0.2791	0.4081	0.3500	0.2640	1.1023	0.2939	0.3765	0.7087	0.2684	1.1936	0.2775	0.6034	1.1620	0.4028	0.5661	1.9728	0.3953	0.3725	0.5384	0.5982	0.5994	0.5833	0.2992	2.9584	0.4466	0.4550	0.3831	0.2838	0.2769	1.1886	0.9926	3.9732	1.0541	2.7011	1.3103	1.0143	0.5144	0.5765	0.5576	3.4922	0.5266	0.2847	3.6642	0.4809	0.3596	0.4515	1.6312	0.6031	0.3003	0.8214	0.4166	0.3608	0.3659	0.3875	0.4006	0.4072	1.5174	0.7483	0.4119	0.8256	0.3306	3.9285	1.4270	0.4194	0.7785	0.8934	0.7851	0.6235	0.6315	0.8224	2.7680	5.2802	0.4711	0.4410	1.9877	0.2994	1.0085	0.3454	0.7075	1.2651	0.6412	0.7968	0.3518	0.5451	0.9598	0.3680	0.7323	0.4839	0.4093	0.3374	0.9317	0.5544	0.4025	0.2375	2.7415	1.3490	0.3610	0.3954	1.4201	0.8720	0.4111	0.7181	1.0507	1.2307	3.2667	2.3600	0.2277	0.5455	2.0817	1.1746	0.3475
PI(15:0/22:1(11Z))	0.9133	0.9571	1.9324	1.8735	1.2027	1.0291	0.4505	0.9209	1.0902	0.6775	0.3948	0.9769	1.3107	0.9311	0.7226	1.6874	1.0519	1.1108	1.4274	1.0378	1.2105	0.9864	1.2161	1.2254	1.0700	0.5547	1.3180	1.2879	1.3945	1.4220	1.3140	1.0303	2.7304	2.0988	0.9787	1.2964	0.9638	1.4032	2.0102	2.3132	1.6464	1.4521	1.2854	1.1271	1.5687	0.9254	1.0018	1.3727	1.0338	0.7873	0.9671	0.8844	1.2844	1.0499	1.4802	1.2585	1.2030	1.1578	2.3450	1.5341	0.8691	0.8801	1.2326	0.8863	0.9714	0.7941	0.8690	0.8906	2.4499	2.2150	1.1503	0.9942	1.9865	1.5425	0.2311	0.9730	1.5475	1.7419	0.7923	0.6715	1.1116	0.4169	0.3103	0.2720	0.2406	0.8658	0.3329	1.0307	0.9106	0.9092	0.8352	0.6715	0.4035	0.3460	0.4116	0.6498	1.0482	1.0796	0.1562	0.3352	0.6946	0.6612	1.2764	0.4941	1.0493	0.8531	0.7460	0.4261	1.5016	1.2230	0.4808	1.0951	1.7875	1.2549	0.8213	0.5228	1.0730	0.1608	0.7138	2.7020	0.7079	0.5979	0.9089	0.8269	2.8428	0.9259	1.1634	0.9419	1.0666	0.6266	0.9204	0.6821	0.4732	1.2765	1.7209	0.3670	0.4947	1.6990	1.3905	0.7418	0.6512	0.4509	0.6508	0.0988	0.3525	0.9222	1.0227	0.6013
PI(16:0/22:1(11Z))	0.9044	0.8698	1.5181	1.7403	1.1265	1.2585	0.8789	1.0816	1.1973	0.7912	1.4287	0.9370	1.5772	1.1522	0.7857	1.9958	1.0497	1.1308	1.3741	1.3588	1.5621	0.1242	1.1062	1.3162	0.9998	0.6348	1.4768	1.3600	1.6264	0.1966	1.2469	0.6591	3.3562	2.0662	1.0460	1.1847	1.0518	0.1868	2.2848	2.1130	1.6942	1.4224	1.0334	1.0097	1.8071	1.1113	0.1386	1.9374	1.4062	1.2077	1.5264	1.2383	1.2539	1.1743	1.6624	1.3242	0.1771	0.1320	2.6927	0.1732	0.8475	1.0212	1.3349	1.0924	0.9641	0.9828	0.9923	0.8972	0.3349	2.1050	1.1355	1.1208	0.3803	1.6027	1.9334	1.1499	1.6055	1.7309	0.9920	0.8591	1.3738	0.4901	0.3656	0.1298	0.3343	0.9539	0.2892	0.9454	0.9747	0.9740	0.9401	0.1329	0.5654	0.3146	0.3505	0.7641	1.2196	1.4204	0.2856	0.3821	0.8028	0.6855	1.7274	0.7154	1.3423	1.1736	0.8572	0.4840	0.2039	1.3764	0.1762	1.3854	1.7477	1.5922	0.9619	0.3805	1.4950	0.3917	0.8306	0.2141	0.7624	0.1098	1.0944	1.0417	2.7661	0.9513	1.3073	1.2395	1.1527	0.7800	1.0899	0.8315	0.5946	1.3704	1.5069	0.4437	0.5750	1.7564	1.4233	0.7028	0.6751	0.3872	0.7042	0.1191	0.5967	0.9096	1.0473	0.6074
Plumbagin	0.4889	0.2565	0.3314	0.3121	0.3005	0.3369	0.2547	0.2603	0.2763	0.2693	0.2705	0.2804	0.2934	0.3008	0.3468	5.9806	0.3117	3.2690	0.2372	0.3827	0.4483	0.3955	0.3290	0.3123	0.5247	0.3443	0.3140	0.3041	0.3038	0.2801	0.2476	0.2995	0.2646	0.2800	0.4403	0.2559	0.3619	0.2403	0.3303	4.8733	0.2877	0.2764	1.0045	0.3310	0.2776	0.2346	0.3469	0.2644	0.2662	0.2706	0.2799	0.2341	0.2672	0.2848	0.3845	0.3279	0.3077	0.2377	0.5723	0.2482	0.2635	0.4171	0.3229	0.3743	0.2575	0.2796	0.2494	0.5145	0.2537	0.2958	0.2802	0.3305	0.3506	0.2852	0.3240	0.4421	0.2719	0.6171	0.2698	0.5220	0.4025	0.4193	0.5106	0.4681	0.4556	0.3317	0.5570	0.4882	0.3168	0.3610	0.2791	0.2492	0.4773	0.4759	0.3731	0.3790	0.3681	0.3284	0.6732	0.5074	0.3359	0.5823	0.3549	0.3983	0.3681	15.2892	0.5598	0.4842	0.3779	0.7448	0.4131	0.3312	0.3471	0.2657	0.4048	0.5381	58.6140	0.4845	0.2748	0.4123	0.8377	0.4714	0.4033	0.3111	0.2505	1.6639	0.2944	0.3427	0.2609	0.4484	0.4588	0.3326	0.5946	0.2920	0.3817	0.5518	0.3977	0.4449	0.3989	0.3824	0.3902	0.5771	0.4450	0.2045	0.6394	1.2034	1.4861	1.0697
pregnenolone sulfate	0.4918	0.5532	0.6951	0.5607	0.3342	0.4324	0.8366	0.8735	0.5343	0.5580	0.2668	0.4095	0.4606	1.7538	1.8976	0.8870	0.1125	0.1809	0.1912	4.2484	3.0762	1.2335	1.0033	0.8888	0.6792	1.9380	2.2726	1.7945	1.9279	0.7977	0.5324	0.4344	0.4145	0.4263	0.1590	0.2950	1.3037	1.2433	0.8793	1.1690	0.2443	0.6531	0.3798	0.5579	0.9658	0.9450	0.1355	0.5158	0.7141	0.8562	0.2708	0.1727	1.7316	1.4112	1.6015	1.4931	0.4360	0.4896	0.6326	0.3106	1.0698	1.9325	1.5971	1.2277	0.5550	0.8558	0.6845	0.6947	0.3617	0.5895	0.2452	0.3224	0.6859	0.5015	0.2261	0.2897	0.4681	0.4372	0.7619	1.1813	1.1065	0.7399	0.3737	3.9664	0.5066	0.7766	0.6379	3.7730	3.4085	0.7086	0.4441	0.5728	0.8384	0.6492	0.5524	0.5721	0.7572	0.9770	3.8330	1.5657	2.4041	0.5699	0.6071	0.4153	0.3843	0.5377	0.5548	0.6968	0.6270	0.5171	0.8423	3.2112	0.1972	1.6354	0.2456	1.0246	0.6075	0.9490	2.0292	1.0284	0.6545	2.3442	1.3866	1.8826	0.2000	0.4553	1.0483	1.9836	0.8524	0.5643	1.4587	0.8441	1.5380	1.9304	0.9303	1.1744	1.9509	1.5780	1.2909	2.2238	0.8068	1.5172	0.5074	0.0117	3.7380	0.9690	1.3013	1.1250
Pseudoaeruginosin NS1	0.6252	1.0488	0.9881	1.0395	0.3735	0.7706	1.0169	1.3515	0.8108	0.4747	0.7574	0.7951	1.4934	1.0782	2.1291	1.3358	1.6692	0.6803	0.6978	0.7447	0.8646	1.4135	1.1448	0.7464	0.7405	0.5436	0.7504	0.4569	0.6359	0.8628	0.6749	1.0627	1.4339	0.9034	2.2436	1.3456	1.6219	1.2435	1.0822	0.7683	0.1974	0.2184	0.8344	1.1373	0.5072	0.6914	1.1644	1.2214	1.0306	1.1653	0.4384	0.6986	0.4565	1.0137	0.6317	0.4977	0.9813	0.4990	1.3828	0.5791	0.6637	0.8493	1.1087	1.0088	0.2585	1.0325	0.7998	0.6076	0.4595	0.7501	1.0796	1.0188	1.3030	0.9020	0.9685	1.2587	0.4999	0.9342	0.9935	0.9749	0.9952	1.6355	1.4487	2.0574	1.7273	0.8814	1.9006	0.6582	0.7705	1.6850	0.5973	0.8484	1.1392	1.5754	1.1612	1.4299	1.7681	0.4267	1.4943	1.1820	0.8690	1.1552	0.9464	1.5727	0.7679	0.7411	0.4196	1.4348	0.8702	0.6576	1.0559	0.8534	0.6519	0.7733	0.6277	1.5102	1.1057	1.1222	1.3643	0.4938	0.7034	1.1643	0.8882	0.4761	1.1685	1.6782	1.2809	0.7318	1.6219	0.6378	1.3380	0.9849	2.0457	0.9357	0.9882	2.1237	2.4370	0.7384	0.4606	0.8440	0.9881	1.0643	0.7200	0.0608	1.9247	0.7700	1.3155	1.4567
Pseudopyronine B	0.6733	0.3098	2.2427	0.4746	0.2623	0.4062	0.2365	0.0599	0.4744	0.1745	1.8724	0.9930	0.3952	1.7494	0.4765	1.2224	0.2236	1.6580	0.3304	1.4993	0.4113	0.5581	0.3442	2.6294	0.4343	0.9426	0.6640	0.5223	0.4099	1.8682	0.6178	0.3073	0.7829	0.5961	0.8918	0.2303	2.0955	0.2668	1.1662	0.1262	1.7279	0.9940	0.5255	0.2084	0.6190	0.6088	1.7514	0.3507	0.5218	0.3629	1.1308	0.5389	1.2272	0.6237	0.5676	0.4753	1.6980	0.6280	0.6356	0.6951	1.5271	0.3256	0.5852	0.2919	0.2551	0.2118	2.6079	0.7551	1.8005	1.1275	2.1470	0.5565	1.5777	0.7233	0.7407	0.9664	2.6453	0.2608	0.4088	0.2964	1.1516	0.2639	1.8719	1.1362	1.4814	1.2596	0.3085	1.0003	0.8497	1.6663	3.2110	0.6262	2.0625	0.7767	1.5874	0.9379	0.8674	0.2808	1.9904	2.8436	0.6179	1.1126	0.6607	0.4116	0.1252	0.6256	1.7750	1.8880	1.1793	0.6332	0.4241	0.6896	0.4617	0.3211	0.3647	1.4576	0.5344	0.5205	1.0205	1.1181	0.3140	1.4950	0.4435	0.2481	0.5541	0.3740	0.4489	2.8105	0.4565	0.1819	0.7575	0.3930	0.5724	1.5507	0.4328	0.6993	0.4056	0.0801	0.4335	0.5288	0.6017	0.5128	1.0975	0.0508	0.1216	0.4120	2.4145	0.5790
Pulcherriminic acid	0.8865	9.6587	0.1792	2.6472	3.3037	1.0039	0.1970	1.8984	0.2607	0.4956	2.2900	0.3675	0.6611	2.1346	8.7941	0.1104	3.5157	1.5884	1.4068	0.1967	0.5179	0.1733	0.1598	1.7663	2.9919	0.6507	0.4804	2.4127	4.1687	0.3451	0.4305	3.8272	2.6682	0.6185	3.8336	2.1005	1.1132	3.4812	4.4470	0.1509	0.7113	1.0715	0.9194	1.7189	0.7208	1.8687	0.1402	0.2056	0.6102	0.2735	2.2642	0.3088	0.1372	1.0837	0.8892	0.6373	5.5533	2.4399	0.1550	0.7519	0.6752	2.2091	0.9680	1.5527	0.9963	1.7599	0.2124	0.1145	0.2567	0.3816	0.5701	0.3928	0.4631	1.9869	0.9239	0.1136	0.7449	4.2460	0.6510	1.8541	0.1627	0.6546	1.0303	0.4054	0.1296	2.3714	0.1332	0.1328	0.3170	1.3682	0.3913	0.2490	3.4781	1.6454	0.2618	4.5477	0.7814	0.4579	0.2299	0.2270	0.5657	1.1937	0.4237	1.0151	0.6361	0.0986	0.3306	0.1346	0.2597	0.1175	3.1484	0.7897	0.8435	0.1215	0.2653	1.8552	0.7826	0.7109	0.1008	0.1949	1.0267	0.1211	0.3300	0.4367	0.2536	0.2891	2.4669	1.2974	0.2383	2.4547	0.2723	0.9332	0.3352	0.2820	0.1155	0.2213	0.1885	0.7629	0.2566	0.2106	0.6286	0.0930	0.5601	0.1028	0.0970	3.3262	0.1867	0.1685
Pyridoxamine;2-Methyl-4-aminomethyl-5-hydroxymethyl-3-Pyridinol	1.5190	1.4364	1.0812	0.7087	2.5069	3.6525	0.8317	0.5219	0.8958	1.0692	0.9860	0.4769	0.4024	0.5257	0.2356	1.4732	0.7285	0.3931	0.6813	0.5478	0.6585	3.1665	3.1899	3.2286	2.2078	0.3888	0.4724	2.8149	3.1160	0.8548	0.6760	0.4335	0.2142	0.1970	0.4906	0.0929	0.3214	0.1131	2.0584	0.9122	1.9072	2.4243	2.5524	3.2753	5.7308	4.1289	0.1589	0.2321	0.4392	0.6146	0.6316	0.5124	0.3568	0.3317	1.2818	0.9654	0.3211	0.2293	0.1172	0.1922	4.4051	4.7619	0.2932	0.2530	3.6135	4.1262	1.4867	1.0299	0.3955	0.2790	0.3958	0.2887	0.2447	0.4267	0.2150	0.2305	0.5599	0.3312	0.4046	0.3534	0.2643	0.1304	0.2721	0.7069	0.1952	0.3388	0.1249	0.8115	0.4790	0.5732	0.1534	0.1227	0.3753	0.3208	2.9958	2.0947	0.1636	0.1969	0.4560	0.6355	0.3194	4.6450	4.3007	0.1907	0.4124	1.0522	0.9479	0.4673	0.3256	0.1605	0.3557	0.6663	0.5103	0.2772	3.0091	0.7901	0.1058	1.0615	0.6494	2.8136	0.7427	0.3085	1.4237	3.9967	0.2341	0.1967	0.2596	1.0805	0.3021	1.0938	0.0956	0.4461	0.1677	2.6695	0.1155	1.4971	3.2692	3.7782	0.5819	5.9466	0.6078	0.6933	2.3507	0.0351	2.2894	2.9259	0.2680	1.0299
Qinimycin B	0.2117	1.0038	0.9033	0.4414	0.0632	0.1339	0.2750	0.0634	0.4520	0.1300	3.1217	0.9125	0.4570	3.8410	0.1058	2.4109	0.0841	1.3826	1.3331	0.8101	0.6710	0.1231	0.1078	0.6794	0.1306	1.1009	2.6408	0.7399	0.0852	7.8955	0.9822	0.0802	0.1578	0.0834	1.8275	2.9011	1.3173	0.0822	2.3888	0.6253	6.4199	1.4432	0.2513	0.0810	0.1524	0.0722	3.0898	1.8955	0.3019	0.3578	2.7318	3.9357	1.0453	0.6579	1.4941	1.6926	0.1337	0.1343	0.2805	0.1701	3.7906	1.1270	1.2158	0.0318	0.2175	0.1245	3.9244	4.0924	1.5643	0.8531	2.6057	0.2994	2.0919	0.4453	4.2593	1.1230	0.1568	0.1005	1.3224	0.2712	0.8238	0.5402	0.8470	1.6672	0.4532	0.0896	0.5348	1.2748	0.1154	2.4084	0.5834	0.1191	0.5823	0.2041	2.1227	0.1092	2.2479	0.2150	1.8716	0.2872	0.2392	0.3930	0.1381	0.1399	0.3491	2.8429	0.3746	0.9253	0.2195	0.5472	1.3809	1.4316	0.9380	0.1549	0.1345	1.6765	1.3471	0.9901	2.7858	1.3317	0.6093	0.8533	0.4329	0.7188	3.1273	0.9440	1.0822	0.0915	0.4720	0.0200	1.0433	2.6133	0.0889	4.9692	0.7455	0.9522	1.4744	0.6194	0.4639	0.0863	0.4000	0.2212	1.8463	0.0481	0.3461	0.1508	0.7432	1.0293
Quinicacid	3.4166	0.1609	0.2043	0.0197	0.0764	0.1188	0.2806	0.7256	0.0117	0.0113	0.3977	0.1019	0.1238	0.0151	0.0320	0.1213	0.0273	2.5242	1.6178	0.1710	0.1016	0.0114	0.3898	0.2739	0.1694	0.4405	0.1885	1.5714	1.1205	0.8801	7.9331	0.3284	0.1814	4.2028	0.6140	0.1822	2.1104	0.1026	1.3139	0.4242	0.2825	1.4871	2.6365	3.2541	0.0318	0.1123	2.3981	4.2595	0.0897	0.0137	2.2061	4.8476	0.0268	0.1150	0.2336	0.4039	0.0155	0.0740	0.1954	0.8153	0.5112	0.6459	0.8526	0.1534	2.9009	2.3125	4.0767	1.3211	0.1087	0.0557	0.8648	0.1917	3.6659	0.0738	0.2875	0.1710	2.9732	1.9957	0.5691	1.1531	1.3196	0.3548	0.7909	0.3033	0.6006	0.0586	0.2560	1.3687	0.4245	2.3416	0.4120	0.1111	1.2509	0.7778	0.8800	0.2902	0.6375	0.9836	0.1898	0.2663	0.7746	0.1139	0.1577	0.4996	1.9561	0.1868	2.5607	0.0929	0.2489	6.6255	6.7174	0.0194	0.0371	0.0971	1.9118	1.3355	3.0598	0.0174	0.1488	0.4964	7.5784	0.1321	3.1312	0.0944	0.0384	3.5995	0.0316	0.6599	0.1688	3.3777	0.1252	0.1963	0.0133	2.5078	0.0571	0.0507	0.1751	0.1769	0.0670	0.1267	0.3258	0.3861	0.1175	0.0582	0.0752	5.9306	1.1003	1.4467
quinol sulfate	2.1024	1.3317	2.0836	0.3808	0.5443	2.4015	0.2338	0.3274	0.1670	0.0936	1.0690	0.3123	0.5187	0.1467	0.7671	0.5989	0.1801	1.3392	0.9356	0.3540	1.5527	0.1047	2.0724	1.5884	2.4713	0.0494	0.2191	0.3237	6.0664	1.2084	1.9802	0.6900	0.3831	1.9048	0.3666	1.0129	0.7890	1.0284	1.6390	0.9365	0.5211	0.5243	1.0309	1.1729	0.3596	0.5594	1.5874	1.7561	0.0971	0.7107	0.8855	1.4168	0.6586	0.4269	0.4694	0.4401	1.0449	0.1367	0.0564	1.7017	1.0771	0.7664	1.5116	0.1185	1.7711	2.1349	2.6348	0.8228	1.7622	0.9251	1.6506	0.5095	6.4970	0.7700	0.1747	0.5982	1.1332	0.8296	0.9219	1.4113	2.0449	1.8315	0.5595	1.3474	0.4004	0.3743	0.3007	0.6534	1.0115	1.0983	0.5014	0.6903	0.8601	0.6588	0.6468	0.4221	0.4355	0.2757	0.4584	1.1356	1.6395	0.4264	0.3404	0.0537	0.7386	0.5300	1.5735	0.5020	0.2474	1.1846	1.7568	0.1173	0.5089	0.7837	0.8749	2.0860	1.3320	2.1456	0.7744	0.4031	1.9175	3.2530	1.4870	1.1140	0.1550	0.4006	0.1968	0.8435	0.7223	1.1299	0.5857	0.9510	0.2931	2.1572	0.5582	1.4367	0.7249	2.2760	0.8175	0.9800	0.9706	0.5315	0.6721	0.0018	1.5729	2.4144	1.2730	1.3820
R)-2,3-Dihydroxy-isovalerate	3.2637	0.2022	0.4423	0.0458	0.3617	0.1850	0.3805	0.5154	0.5311	0.4331	0.9200	0.4788	0.6163	0.6257	0.2626	0.6057	0.3445	1.2229	0.5625	1.1231	0.6487	0.3422	0.5205	0.3652	0.2343	0.3977	0.4392	0.6266	0.3584	0.7200	3.0919	0.7647	0.3888	8.8130	0.9877	0.4197	0.7393	0.4565	1.4807	0.7312	2.9656	1.3713	0.9153	0.8341	0.4975	0.4696	2.6985	7.0434	0.3448	0.7162	1.2403	0.7851	0.4854	0.3968	0.3589	0.4362	0.4646	0.0281	0.6358	0.7679	0.4299	1.1521	0.5166	0.4373	0.3042	0.2735	1.9481	0.8073	0.4348	0.5932	0.6112	0.6213	0.8502	0.3632	0.6973	0.8908	1.4981	1.0947	0.5483	0.4126	2.3226	0.4908	0.4596	1.5589	0.3497	0.4281	0.5253	0.5424	1.3350	0.3750	0.6783	0.1580	0.2251	0.6123	0.6584	0.4481	0.1964	0.2458	0.1414	0.7750	0.8078	0.3372	0.1216	0.7218	0.2872	0.5027	0.3919	0.5003	0.5380	1.3106	4.4967	0.5268	0.3149	0.5818	0.3753	0.4078	2.1858	0.8636	0.3347	0.4184	7.9008	0.3333	0.3102	0.4200	0.4753	0.8991	0.1897	0.5403	0.2536	1.4343	0.1542	1.4908	0.5398	0.9838	0.7196	0.5422	0.5345	0.3067	0.2517	0.5431	0.2651	0.5113	0.2596	0.2034	0.3055	8.0630	1.9332	2.3614
(R)-2-Hydroxyglutarate	0.8130	0.7362	0.7706	0.5443	0.6745	0.9433	0.6519	1.0892	0.6931	0.9291	0.6943	0.7253	1.2941	0.6727	1.2763	0.8146	1.1442	1.3724	1.0153	0.9714	1.3144	0.5492	0.5254	1.0294	0.8719	0.6766	0.9504	0.7608	0.8886	0.9881	1.3428	1.1836	0.7025	0.8693	1.7735	0.6603	1.4815	1.1209	1.7436	1.2151	1.4841	2.0469	0.7797	1.0436	0.6225	0.6416	1.2509	1.0973	0.7146	0.7849	1.0342	1.2175	0.6554	1.0505	1.5474	1.3217	0.6349	0.9774	1.9570	0.9855	0.6189	1.9499	0.7214	1.1244	0.7584	0.9615	0.8341	0.9237	1.0058	0.8904	0.6699	0.8904	0.8325	0.6521	0.9925	0.8923	0.6959	1.1747	0.6378	0.8347	1.0242	4.6253	1.2417	1.8177	1.0490	1.2550	1.8079	0.9442	0.6996	1.1965	1.2063	0.6992	0.9627	0.9282	0.9419	1.4005	0.9832	0.7072	1.1294	1.1231	0.9026	0.9632	0.8397	1.1352	0.8601	1.0344	1.2204	1.1041	1.3661	1.2833	1.2867	0.6559	0.5189	0.5914	0.9318	1.0930	0.9756	1.7275	0.8272	0.5700	1.3242	1.6190	1.0881	0.8366	0.5874	1.0949	1.0840	0.5651	0.7304	1.5605	0.9230	1.0061	0.9965	0.9733	0.6746	1.0081	0.9594	0.9966	1.5837	0.8486	0.8587	0.7441	0.7304	0.6374	0.9829	0.9486	1.0511	1.2835
(R)-3-(4-Hydroxyphenyl)lactate	0.8707	0.8521	0.9825	0.4500	2.1035	0.8519	0.7896	0.6496	0.3969	0.2337	1.5437	1.2331	0.5745	1.0535	1.1519	2.4337	0.4762	0.9754	0.6856	1.8308	1.6555	1.3033	0.6434	0.9385	0.8532	0.5644	0.7700	1.3107	2.1287	2.8933	1.4481	0.6261	0.8646	0.7815	2.0058	0.4950	1.7586	1.3829	2.8120	1.3225	3.0346	1.6621	1.0769	1.0558	1.3770	0.9028	1.9363	0.7766	1.6816	0.8710	1.9650	0.8305	1.1823	0.7210	1.9379	1.8182	0.8840	0.7094	1.6020	1.9260	1.0794	2.4582	1.4506	0.7615	1.4781	0.9356	1.0218	0.8738	1.2519	0.8276	1.0426	0.9485	2.0059	0.5909	1.0340	0.6851	1.6058	1.0876	0.8343	0.7182	1.2426	0.9282	0.6536	1.5949	0.5242	0.7282	1.5335	1.2112	0.5602	1.7100	0.7250	0.7855	0.6742	0.3170	1.0899	0.4266	1.1537	0.9700	0.5113	0.6184	0.9323	0.6029	0.7662	0.6365	0.8104	0.9563	0.5555	0.5824	0.6051	0.9962	0.9616	0.5108	0.6934	0.7283	0.7276	1.9825	0.9112	1.0906	1.2314	0.7543	1.0518	0.9433	0.6383	0.5649	1.0627	0.7838	0.6954	0.7357	0.6520	0.8620	0.6649	1.2771	1.0791	1.6756	0.7467	2.7136	0.8305	0.8002	1.1809	0.6762	0.5790	0.8761	0.5124	0.0091	0.4778	0.4712	0.9706	0.8133
(R)-3-Hydroxybutanoate	0.7496	1.3416	0.7701	0.7016	1.7611	2.0856	0.7807	0.7887	1.3805	0.7318	1.3857	1.4430	0.8332	1.8341	1.8799	0.8807	0.7456	0.7991	0.7974	1.0785	1.1399	1.0700	0.6912	0.7883	0.9511	3.5873	1.0980	1.7569	2.1493	1.1751	0.6862	0.5987	1.1177	0.8594	6.0526	0.8940	1.1519	0.9971	1.1877	0.6222	0.7121	1.4148	1.1057	1.2513	1.3115	0.6776	0.7521	0.4257	0.9467	0.4079	0.6623	0.7485	0.5718	0.6977	2.0669	1.0157	1.5639	0.5325	1.4397	0.7648	1.0831	1.2929	0.8924	0.7944	1.6120	0.7164	0.7329	0.8015	0.8729	1.1276	0.7278	0.5586	1.7462	0.7258	1.2430	0.5829	1.4379	0.5686	0.7399	0.6346	0.6043	0.6515	2.1144	1.1274	1.5180	0.9172	1.2715	1.7041	0.7093	1.0060	0.9581	0.6763	2.8413	0.9570	0.6832	1.5355	0.9518	0.9573	0.8186	0.6843	0.5241	2.9765	1.1038	0.7522	0.7574	0.7143	1.0642	0.6850	0.6479	0.6970	1.0691	0.6812	1.2766	0.7438	0.6274	0.9247	0.9164	2.5178	0.5492	0.9923	3.9291	1.2511	0.7416	0.6568	0.9850	1.4548	1.3712	1.5907	0.9459	1.3554	1.0960	1.7097	0.9997	0.6239	0.7568	1.2362	0.6046	1.1558	1.9869	0.6591	0.7097	0.6337	0.6718	0.0050	0.6842	0.8690	0.6684	0.8449
Rimboxa	0.7680	0.1511	0.6202	0.1351	0.3182	0.1486	0.1076	0.1302	0.4591	0.3689	6.4764	0.1257	0.1211	0.1315	0.2586	0.8018	0.1702	1.5128	2.6356	0.2549	0.3306	0.3847	0.1334	0.6921	0.5662	0.1816	0.9598	0.3026	0.1964	1.7908	1.3548	0.2939	0.1500	0.3405	0.9779	0.3486	1.0352	0.2867	17.2141	2.8629	12.1473	6.3012	1.8825	2.6362	0.4631	0.1973	0.7905	0.5788	0.3888	0.7989	1.4632	1.3175	0.8334	0.6469	2.5095	2.2786	0.1468	0.3990	0.1323	0.1727	0.3317	0.3360	0.5414	0.9372	0.2620	0.2030	1.1811	0.5241	1.0001	0.5337	0.5882	0.3041	1.8771	0.8920	1.1165	1.6166	0.7382	0.5187	0.6034	1.3040	0.3315	0.1555	1.6075	0.5573	0.4115	0.2468	0.3416	0.5614	0.4016	0.5594	0.2531	0.5717	1.4097	0.3575	0.8954	0.1833	0.2604	0.4604	0.4411	0.2856	0.4773	0.1564	0.1532	0.3433	1.5200	1.1947	0.5274	0.1406	0.1265	0.4220	0.2694	1.0870	0.7009	0.2657	1.1619	1.3292	0.6356	1.9624	1.2730	0.3819	0.2809	1.1650	1.6406	1.1811	1.0396	0.9528	1.1940	0.1685	0.3641	2.2346	0.1937	2.3534	0.8293	2.2837	1.8631	1.6830	1.4753	1.7433	1.8249	0.8827	0.8262	0.9568	1.1925	0.1061	0.4990	0.7160	1.0505	1.3285
Rishitin	0.5474	0.5086	0.9866	0.7202	1.1039	0.4098	0.8667	1.3976	0.6985	0.6142	0.8162	1.3100	0.3747	2.1500	1.2069	1.3278	0.4419	0.7209	0.6811	0.5315	0.7290	1.0653	0.7536	0.8865	0.7689	1.0080	1.4638	1.7118	0.8086	0.5730	0.6892	0.5069	2.2618	1.0559	1.0108	0.7558	1.1619	0.8212	0.7250	0.3985	0.6200	1.5602	0.7771	0.9657	1.0651	0.6067	1.4381	0.2696	1.0457	0.4286	0.8544	0.5790	1.5282	1.4196	0.4514	1.0514	1.2219	1.1315	0.3427	1.0208	0.7456	0.4787	1.1783	1.1195	0.4512	0.9249	1.1268	0.9786	1.3114	1.3137	1.7511	0.6447	0.6738	0.6171	0.7991	1.1067	0.8427	0.9420	0.7819	1.2877	1.8343	1.3909	1.2436	0.6693	0.9900	1.1721	2.1879	1.2771	0.5132	0.6131	1.1186	0.5232	0.9963	1.6026	0.2545	0.7158	4.7341	1.2763	1.2443	1.8536	1.9967	1.0660	1.2179	0.8499	0.6732	0.4438	0.7391	1.4603	0.8476	0.6335	0.8414	1.0367	0.4295	0.2921	0.7416	1.3251	1.7199	0.8061	1.6886	1.3696	0.8029	1.0791	1.1224	0.8785	0.3121	1.2336	1.3736	1.7698	2.2236	1.4559	3.4104	1.2327	1.8872	1.3557	0.8424	1.8523	0.6375	1.3114	3.7007	2.3390	0.9697	1.0725	1.3179	0.0171	0.8953	1.5588	0.8586	0.6665
(R)-Lactate	1.1232	0.8218	0.8147	0.8015	1.0037	0.8595	0.5958	0.5135	0.6002	1.6405	0.5896	0.8814	1.3686	0.7888	0.9356	0.9765	0.5811	1.4429	0.8375	0.9868	1.2474	0.9042	0.7376	0.5507	0.7651	0.6620	0.8010	0.9662	0.7472	1.1506	0.7656	0.6420	1.0124	0.6759	2.1157	0.8350	1.2768	1.0092	0.9902	0.6124	0.8078	1.3852	0.9411	0.8363	0.7203	0.6598	0.8539	0.7206	1.0189	1.1603	0.9880	0.5732	1.1389	0.7614	0.9457	1.1446	0.6195	0.7240	2.3505	0.8561	0.8428	1.2478	0.7976	1.0041	0.8491	1.4246	0.9054	0.7849	0.6106	0.9040	0.7043	1.1287	1.1796	0.8052	0.7733	1.0154	0.8364	0.8039	0.6689	0.7447	0.8911	0.8220	1.2605	1.0196	1.1405	0.9327	0.7643	0.9466	0.8041	0.8911	1.0984	0.8667	0.8232	1.3437	0.9279	1.0245	0.7661	0.9619	0.6518	1.0707	0.9720	1.0212	1.0923	0.6584	0.9181	1.0132	0.8303	0.7925	0.8973	0.8777	0.7876	1.5915	0.5842	0.6582	1.0915	1.2281	0.8877	1.0540	0.8875	0.6040	0.9323	2.5315	1.1548	0.9192	0.7319	0.8964	0.8683	0.6115	0.8045	0.7999	0.6203	0.6005	0.7584	0.7306	0.6726	0.8523	1.0733	0.7859	1.0507	1.1829	0.5708	0.8741	0.6740	0.0015	0.7971	0.7540	1.9984	1.2028
(R)-Malate	0.8944	1.0492	0.6375	0.6455	0.8132	0.6593	0.4801	0.6869	0.4016	0.9921	0.5872	0.6730	1.4507	0.3469	1.1445	0.5988	1.1926	1.3864	0.7470	0.7940	0.8864	0.3706	0.4954	0.5809	1.2251	0.4301	0.7434	0.6000	0.7389	0.8353	0.7423	1.0609	0.7453	0.6835	1.4793	0.7521	0.8115	1.2779	0.9198	0.4627	1.2574	2.3014	0.7660	0.9695	0.6612	0.9266	0.8921	0.9643	0.7641	0.7338	0.7146	0.9219	0.4925	0.8169	1.2539	1.4450	0.5923	0.9650	1.3711	0.6964	0.5813	3.4339	0.5899	1.3639	0.7013	1.1660	0.5012	0.6332	0.5420	0.9596	0.5000	0.7588	0.7620	0.6428	0.7768	0.7472	0.4698	0.9602	0.6401	0.9969	0.5988	2.1617	0.9582	1.5093	0.5982	0.9675	0.7221	0.6920	0.9214	0.6229	0.7118	0.6406	0.7972	0.9361	0.5747	1.5628	0.7370	0.7870	0.6678	0.8966	0.9425	0.9466	1.4750	0.8390	1.1876	0.8144	0.8992	0.7824	0.8185	0.8210	0.9068	0.8787	0.5453	0.5544	0.8722	1.3248	0.6343	1.7538	0.9063	0.6207	0.8524	2.5070	0.8354	0.5054	0.4305	0.9690	0.9322	0.5825	0.5928	1.2217	0.8586	0.8658	0.7705	0.8424	0.6159	0.9197	0.9200	0.7308	1.0730	1.0951	0.6270	0.7184	0.6752	0.0152	0.7695	1.1369	2.2747	0.9308
(R)-Pantolactone	0.9509	1.0503	1.2271	0.8018	1.1557	1.4136	0.9099	0.8484	1.0461	0.7251	1.0927	1.0519	0.9613	1.2061	1.0622	1.2200	1.0361	0.8258	0.7857	1.0043	1.3035	1.3471	1.1954	0.8876	1.2340	1.6954	1.4720	1.1666	1.0593	1.0386	0.8827	0.7770	0.8763	0.7100	2.2655	0.6728	0.8995	0.9202	0.9560	0.7909	0.8065	0.9769	0.8463	1.1235	0.9729	0.7475	0.9850	0.7459	1.1010	0.8470	0.7144	0.8187	1.0331	1.0656	1.3094	0.8985	1.1017	0.8206	1.2181	0.9526	1.1352	1.5143	1.0250	0.7970	0.9870	0.9510	0.7491	0.8641	0.7774	0.9952	0.9487	0.8953	1.4443	0.7061	1.0187	1.1230	0.9056	0.9491	0.9941	1.1266	0.9175	0.8250	1.8835	1.3081	1.5907	0.8323	1.1023	1.4827	1.0453	1.2625	1.1054	1.0799	1.4095	0.8688	1.0338	1.5805	1.1351	0.9239	0.8247	1.0786	1.1123	1.4875	1.1748	0.8400	0.9696	1.1317	1.2193	1.0060	0.8772	0.8815	1.1756	0.7727	0.8821	1.0650	0.9540	1.0894	0.9013	1.7413	1.0489	1.0877	1.8263	2.3135	1.0299	1.2067	0.9911	0.8323	1.1790	1.1769	0.9582	1.2338	1.1919	1.2459	1.2858	0.9978	1.0410	1.3860	1.5826	1.0909	1.1366	1.3012	0.7616	1.1457	0.9072	0.0008	1.4697	1.4204	0.8647	0.8761
(S)-2-Acetolactate	1.1095	0.9480	1.1928	0.7796	1.4822	0.9903	1.0919	1.0255	0.8498	0.6755	1.4283	1.3727	0.8804	0.8150	0.8648	1.0361	0.9587	1.1298	0.9135	1.0501	1.0027	1.0045	1.3556	1.1463	0.8036	2.8408	1.1576	0.9720	0.9139	1.0685	0.9352	0.9413	1.0600	0.9331	3.5121	1.3926	1.0304	0.9435	0.7439	0.8615	1.0697	0.8334	0.8781	0.9829	0.9068	0.9890	0.9649	1.0496	0.9183	0.8054	0.9497	0.4934	0.8312	0.8865	1.0389	1.0755	0.9257	0.7330	1.1855	0.9090	0.9766	0.7404	0.9472	0.7635	0.7933	0.8765	1.2004	0.8127	0.9520	1.0748	0.8610	0.8161	2.7715	0.7561	1.1230	0.9702	1.4183	0.9060	0.8623	0.9391	1.0764	1.1892	2.8529	0.9329	1.8417	0.8983	1.2078	2.5363	0.9678	1.4874	0.9515	0.8713	1.0663	1.0208	1.2730	1.0186	0.9916	0.9588	1.2320	0.9986	0.9083	1.1621	1.1191	1.4434	0.9900	0.6448	1.2902	1.0979	0.9283	0.8957	1.3559	0.7264	1.3038	1.0208	1.0346	1.1157	1.3475	0.9375	1.0859	1.1442	4.4785	1.0336	0.9983	1.1493	0.8534	1.5974	1.0426	1.0658	0.8172	1.2545	1.0630	1.0469	0.9837	0.9956	0.9919	1.1191	1.4431	1.0877	1.0729	1.3378	0.9946	1.3245	1.0584	0.1684	1.1009	1.2503	0.5744	0.8956
S-Methyl-L-Cysteine-S-oxide	1.3640	0.7626	0.4895	0.6619	0.1374	0.3793	0.5261	0.9499	1.3694	1.1063	1.1634	0.2589	0.7581	1.9172	2.2482	0.7091	0.9220	1.8312	1.0821	0.3975	0.6777	0.2922	1.8744	1.0529	1.2672	0.2167	0.3123	0.3480	0.3290	0.3434	1.7114	1.7197	0.4603	2.5706	0.4696	1.1744	0.8270	0.8450	4.1093	0.8986	4.5243	0.6375	1.7840	1.3236	0.5365	0.6207	0.5229	0.8940	0.4902	2.1793	1.5557	1.4731	0.9198	0.8628	1.9598	0.7623	0.4275	0.5318	0.3946	0.4599	0.4984	2.3525	0.2024	0.9245	0.9447	0.7259	0.7001	0.5293	1.6659	1.0373	0.9502	0.6952	0.6791	0.8837	0.9336	1.2049	1.8036	2.5921	1.7657	0.9247	0.4683	1.0276	0.2828	1.0922	0.3136	0.7557	1.4237	0.8021	1.1526	0.5005	0.5721	1.5834	5.9980	0.7900	0.5859	1.3338	0.5810	0.6917	1.0736	0.6724	1.1308	0.7709	0.4185	1.1889	1.5874	0.9501	1.3231	0.4156	0.6134	0.8246	0.6805	1.6169	1.4358	0.4694	0.5218	2.8231	0.3123	0.9840	0.4049	0.6404	0.9008	2.6350	1.1111	1.7183	1.7536	1.1686	0.8109	1.3180	2.0974	1.7589	1.3202	2.7595	0.4686	0.7426	1.3032	1.4042	0.9375	3.8527	0.3930	1.6186	0.5494	0.9825	0.3569	0.0285	1.7290	2.0085	0.5927	1.0107
(S)-Methylmalonatesemialdehyde	0.4704	3.4333	0.2309	1.6106	0.7816	2.0332	0.3439	1.0749	1.2940	0.6617	0.7921	1.6027	1.3298	1.5235	19.4109	0.3838	2.2260	0.8579	0.4583	0.3568	0.2491	0.2261	0.4048	0.5124	2.2968	8.2178	0.7142	2.5860	3.1161	0.3228	0.4466	1.9349	0.6629	1.6875	5.5530	0.6319	0.6779	1.6767	0.7070	0.3183	0.2988	0.4893	0.8921	0.7709	0.6936	0.6241	0.3626	0.2209	0.6929	0.2630	0.8198	1.2575	0.2479	2.3323	2.3275	0.8646	2.3064	1.1794	0.1397	0.2723	0.6659	0.7025	0.4066	0.9489	1.7530	0.8649	0.5071	0.3794	0.3154	0.3941	0.4560	0.2129	0.4762	1.0749	0.4340	0.2395	0.9200	0.6954	0.3797	0.6710	0.2633	0.5719	1.2059	0.4181	0.6385	2.7021	0.3685	0.6024	0.3478	0.6668	0.4566	0.2791	6.7670	1.8782	0.2720	2.6828	0.8151	0.3358	0.8833	0.2624	0.3891	2.1424	0.5493	0.5910	0.4626	0.3810	0.6535	0.4278	0.5140	0.3983	2.0142	0.5324	3.4097	0.3792	0.3645	0.8470	0.4320	1.0874	0.3273	2.0777	9.6826	0.3133	0.3267	0.4467	0.4607	0.4612	2.9002	3.0738	0.2475	2.8932	0.7084	1.3160	0.7985	0.3559	0.3037	0.4479	0.1958	0.8967	1.5351	0.2507	0.4678	0.1666	0.6780	0.0381	0.1914	1.3104	0.0504	0.2981
S-Methylthioglycolate	0.7684	0.1511	0.6206	0.1134	0.3184	0.1487	0.1006	0.1144	0.4593	0.3691	6.4802	0.1104	0.1142	0.1155	0.2272	0.8023	0.1703	1.5137	2.6371	0.2551	0.3308	0.4653	0.1335	0.6925	0.5665	0.1596	0.9604	0.3028	0.1965	1.7919	1.3556	0.2941	0.1501	0.3407	0.9785	0.3489	1.1580	0.2869	17.2243	2.8646	12.1545	6.3049	1.8836	2.6378	0.4634	0.1974	0.7909	0.5791	0.3890	0.7993	1.4641	1.3183	0.8339	0.6473	2.5110	2.2799	0.1290	0.3993	0.1163	0.1728	0.3319	0.3362	0.5417	0.9378	0.2621	0.2031	1.1818	0.5244	1.0007	0.5340	0.5886	0.3043	1.8782	0.8925	1.1172	1.6176	0.7387	0.5190	0.6038	1.3047	0.3317	0.1366	1.6085	0.5576	0.4117	0.2470	0.3418	0.5617	0.4019	0.5598	0.2532	0.5721	1.4105	0.3577	0.8959	0.1834	0.2606	0.4607	0.4413	0.2858	0.4775	0.1374	0.1533	0.3435	1.5209	1.1954	0.5278	0.1407	0.1129	0.4222	0.2695	1.0876	0.7013	0.2658	1.1625	1.3299	0.6359	1.9635	1.2737	0.3821	0.2810	1.1657	1.6415	1.1818	1.0402	0.9534	1.1947	0.1686	0.3643	2.2359	0.1938	2.3548	0.8298	2.2851	1.8642	1.6840	1.4762	1.7443	1.8259	0.8832	0.8267	0.9574	1.1932	0.0932	0.4993	0.7165	1.0511	1.3293
sn-glycero-3-Phosphoethanolamine	0.1684	0.2659	0.2853	0.7078	0.4498	0.1349	0.3582	0.1348	0.8123	1.0448	0.2560	0.5367	0.1676	0.1395	0.8866	0.2729	0.2215	0.8191	0.3397	0.9608	0.2257	0.4425	0.1967	0.2215	0.2445	0.3653	0.7160	0.4081	0.1380	0.7081	0.4054	0.1381	0.4123	0.1372	1.0887	0.7511	0.5993	0.4137	0.4727	0.3604	0.1702	0.3665	0.3030	0.1650	0.3302	0.3240	0.3407	0.1416	0.1985	0.8261	0.1466	0.3242	0.7208	0.4999	0.3399	0.5978	0.1517	0.2326	1.8685	0.4222	0.6847	0.3153	0.7657	0.3945	0.4338	0.4240	0.2616	0.2841	0.6208	0.1525	0.4812	0.3804	0.5485	0.1556	0.2182	0.1462	0.4902	0.7227	0.3925	0.3059	0.2689	1.5775	0.2957	0.1641	0.1510	0.3109	0.1416	0.7217	0.2699	0.7263	0.6988	0.4898	0.2259	0.1464	0.1412	0.5838	0.5720	0.2291	0.1730	0.2423	0.5568	0.3023	0.5759	0.1632	0.6596	0.4816	0.2290	0.3277	0.1377	0.1473	0.1664	0.1555	0.1880	0.1988	0.8840	0.3047	0.1576	0.1615	0.1483	0.1382	0.2172	0.5964	0.4258	0.8677	0.1454	0.1732	0.9035	0.8128	1.4348	0.1544	0.1396	0.5292	0.1424	0.6164	0.1830	0.2016	0.5218	0.4463	0.1453	0.8714	0.9084	0.6845	1.4647	0.0989	0.2941	0.4323	5.6573	0.3077
[ST(2:0)]22S_25S-furospirost-5-en-3beta_26-diol	0.7221	0.7785	0.9927	0.7507	1.0521	0.8693	0.8424	1.2122	0.7848	0.7097	0.9009	0.9270	0.9612	0.8089	0.8078	1.9050	0.8380	1.4797	1.1507	1.5568	1.2041	0.9129	0.7832	0.8240	0.7999	0.8996	1.3182	1.7944	1.1330	1.0026	0.9047	1.1624	2.9622	0.9158	0.3910	0.7733	1.2775	1.0484	1.3368	0.9314	1.4542	1.5893	0.7083	0.9733	0.9859	0.8605	1.4487	1.2927	2.0009	2.0388	0.8752	0.8141	1.2205	0.8702	1.8728	2.0861	0.9611	1.0120	0.7255	1.0406	0.8723	0.7363	1.4353	0.7827	1.2839	1.7350	1.1427	0.8690	1.4131	1.9368	0.7626	0.8940	0.6998	0.4208	0.6595	0.8742	0.7466	0.9605	0.9960	1.2307	0.7354	0.9398	1.8668	1.4890	0.8127	1.2026	2.8892	1.8701	0.7192	0.8990	0.8454	1.1174	0.6327	0.9287	1.2238	1.0961	1.4952	1.1036	1.6524	0.9612	1.2085	0.8413	1.3721	1.4489	1.1014	0.6574	1.0383	1.6474	1.3366	0.7936	1.3025	1.2086	0.6143	0.9681	0.9404	1.1822	0.8792	0.8472	2.8438	0.8284	0.9423	1.3850	0.7770	0.5825	0.7986	0.7229	1.2071	0.6947	1.1976	0.8650	0.8968	0.8480	1.0675	1.1036	0.9119	1.2906	1.1241	1.0623	1.3697	1.3291	1.0886	1.0007	0.7870	0.0103	1.1903	1.3324	0.6608	0.9451
Succinic acid	0.8129	0.8236	0.7561	0.8095	0.8787	0.7659	0.7710	0.7649	0.6963	0.8705	1.0293	0.8507	1.0071	0.6755	0.9217	0.8732	1.0572	1.1267	0.9727	0.8342	1.0650	0.6248	0.7447	0.8269	0.9829	0.6155	0.6646	1.0226	0.8168	0.9803	0.9857	0.9393	0.9940	0.8100	0.8242	1.0222	1.0865	1.3157	1.1599	1.2814	1.2328	1.7039	0.9011	1.2622	0.9135	0.9378	0.9427	0.9940	1.1825	1.0427	0.7831	0.9685	0.7756	0.9534	1.1496	1.4007	0.9197	1.0156	1.0472	0.8985	0.8764	0.9648	0.8627	0.8887	0.8233	1.0727	0.9561	1.0502	1.2271	1.4336	0.7993	0.8191	1.0312	0.6323	0.9365	0.7739	0.7683	1.1673	0.8659	0.9864	0.7752	1.6169	0.6725	0.9633	0.6447	0.9639	0.7314	0.7810	0.7298	0.7514	0.6749	0.7533	0.8536	0.8178	0.7055	1.1464	0.9683	0.8242	0.8682	0.8263	0.9355	0.7278	1.0478	0.8883	1.0620	0.9105	1.0462	0.8073	0.8104	0.7800	0.8480	0.8016	0.7581	0.7111	0.8970	1.0454	0.7864	0.8420	0.9954	0.6984	0.8021	1.3578	0.7998	0.6195	0.8959	1.0174	0.8054	0.7088	0.6624	1.0908	0.8195	0.8672	0.7617	0.9532	0.8838	0.8077	1.0080	0.8435	1.1498	0.9826	0.7769	0.8618	0.7286	0.6522	0.8890	0.9822	1.9531	0.9316
Sulfosalicylic Acid	1.0604	1.6310	0.3012	2.1130	2.3938	0.2900	0.2580	0.2439	0.0537	0.0901	3.0434	0.2416	0.5412	0.2201	0.3304	0.1493	0.6556	11.1169	3.5305	0.1715	1.0945	0.4679	0.4965	0.1440	0.6971	0.2133	0.1406	1.2524	2.4214	1.5924	3.3269	3.5367	0.1185	0.8880	1.8403	1.8905	0.3619	1.8638	0.8193	4.3489	5.1520	3.8317	2.4138	2.2076	4.4342	4.3149	0.2553	0.3681	0.0380	0.1686	0.9578	2.0590	0.1914	0.8384	0.7679	1.6858	0.6313	3.9849	0.5192	0.2853	1.9605	0.7828	0.4678	0.0762	1.0301	0.0764	0.4975	0.4765	0.6595	0.4971	0.3572	0.3308	0.6402	0.4414	0.8615	1.3401	1.1200	2.2661	0.4812	0.1331	1.4423	1.8249	0.3385	0.0855	0.9733	2.6523	0.0454	0.5398	0.7970	0.9019	0.0873	0.5707	0.4359	0.5813	0.1836	0.4751	0.4133	0.8878	0.4001	0.1059	0.2681	0.0397	1.0124	0.6823	1.2730	0.8096	2.2242	0.5395	0.7460	1.5096	1.0081	1.1502	2.5750	1.7033	1.1570	0.9968	2.0696	0.9331	1.1046	0.1314	0.5692	0.2320	0.5451	1.0449	4.7175	0.4780	0.0374	0.2234	0.0307	1.2945	0.0768	1.3005	0.1765	0.6947	0.3472	0.5804	0.7892	1.1256	1.5823	0.7544	0.6624	0.5888	0.3639	0.0270	0.1057	0.5151	0.6964	0.9072
Talarolutin C	0.0721	0.0934	0.0503	1.2534	0.0523	0.0664	0.0488	0.0536	0.0487	0.0464	0.7564	0.0578	0.0446	4.4354	0.4890	0.0847	0.0532	0.9977	0.1912	0.0527	0.0924	0.0509	0.0471	1.7490	0.0767	1.4721	0.0549	0.4136	0.5231	0.0577	0.0432	0.8664	0.9720	0.3867	0.0691	2.4097	2.0257	0.1826	1.5495	0.0618	0.2145	2.3026	0.0384	0.0480	0.0994	0.0402	0.6060	0.0545	0.0479	1.7698	6.0659	15.6398	0.0460	0.5218	0.0792	0.0605	0.0664	0.0392	6.8340	2.4639	0.3835	0.0753	1.5908	0.2464	0.7440	0.0549	0.0418	5.8148	0.0400	0.0583	2.1097	0.8640	0.0940	1.6573	0.3323	8.4214	0.0931	0.0479	0.8995	0.0527	0.5119	0.0864	0.1052	0.2891	4.9753	0.2082	6.3942	0.0607	0.0551	0.0620	1.3987	0.0475	0.2720	12.1368	2.3764	0.3197	0.9790	0.1866	0.1341	4.9147	10.4232	0.3674	1.0417	0.0821	0.0759	0.1317	0.0952	0.0685	0.0470	0.0658	0.0830	0.0581	0.0437	17.1170	0.0834	2.4175	1.1895	0.0999	0.0510	0.0667	1.0916	0.0853	0.0831	0.0517	0.3475	0.0603	0.6226	0.1975	6.0137	0.3927	1.3315	3.5027	0.3441	1.1852	0.1955	1.8367	1.5755	0.0814	0.3762	0.0767	0.0804	0.5468	1.5808	0.0421	0.1318	0.0966	0.0881	0.0624
Taurine	1.2450	1.0900	0.6020	0.7801	0.6047	1.2091	1.0223	0.9385	0.8087	1.0128	0.9084	0.6349	1.0609	0.9567	1.5100	0.8850	0.6726	0.7697	0.9413	0.8988	0.8986	0.7200	0.9432	1.0097	1.0720	0.5755	0.8393	0.6846	0.7844	0.9736	1.3161	1.0844	0.5996	1.0479	0.7640	0.8541	0.8678	1.0566	0.8795	1.0960	1.0018	1.2981	1.1662	0.9023	0.9239	0.9258	0.8819	1.0317	1.0320	0.8907	1.1249	1.4080	0.9491	1.1597	1.2071	1.6085	0.7210	0.9827	2.7215	1.5642	1.1035	0.7444	0.7768	1.1502	0.9444	1.2703	1.0384	1.0955	0.9696	1.0204	1.0633	0.9874	0.7388	1.0902	1.1830	1.0044	1.0566	0.9327	0.7916	1.0840	0.9124	4.1036	0.7138	1.0401	0.8885	1.3648	0.8496	1.0312	1.0944	1.0329	1.4724	1.1213	1.0742	1.2861	0.9216	1.2108	1.1545	1.0823	0.8659	1.1487	1.3391	0.9431	1.2369	1.0294	1.2221	1.2190	1.3980	1.4594	1.3739	0.6424	1.0455	1.5119	0.8918	0.9781	1.0984	1.5286	1.1703	0.8414	1.0046	1.0410	1.1253	1.1683	1.4691	0.8770	0.7191	1.4798	0.7459	1.0924	1.5315	1.3709	1.2108	1.0671	1.1319	0.8952	0.8824	1.0680	0.8451	1.0662	0.9553	1.0349	0.8111	0.9461	0.8516	0.0002	1.0829	0.8965	1.0331	0.7481
Tensyuic acid E	1.1401	0.8809	1.4697	1.0277	0.5838	0.8418	1.2995	0.8411	1.0216	0.4051	1.0941	1.1088	0.5603	1.0350	1.1034	1.2119	0.3583	1.0457	1.3046	0.6853	0.9121	1.3174	1.4904	0.7929	0.4689	0.5161	0.9657	1.0936	0.7034	1.4156	0.5448	1.3121	0.8769	0.5913	1.6371	1.3491	1.3651	1.5150	1.9046	1.5280	1.9666	1.0019	1.2013	1.3350	1.0439	1.1997	0.6268	0.5072	0.9144	0.9980	1.4107	1.1831	1.1153	0.8129	1.3727	1.8904	0.7578	0.5477	0.7660	0.6634	1.3603	0.5113	0.7094	0.7918	0.9443	0.8989	0.7658	0.7070	1.9840	0.7283	1.0223	0.6954	1.6122	0.3641	1.2024	1.3790	0.7880	1.1111	1.7223	1.3495	2.3733	1.2045	0.8078	0.7703	0.5431	0.5837	1.1598	0.7451	0.5556	1.0443	0.7323	0.4248	0.9685	0.8533	0.8528	0.5778	0.9286	0.7942	1.9891	1.5761	1.2083	0.6501	0.4791	1.2978	1.3053	0.9151	0.6782	0.8092	0.5282	1.1787	0.9620	1.3281	0.4640	0.9173	1.7561	1.2366	1.5199	0.6516	2.6814	1.1220	0.5295	1.0661	1.1177	1.6775	0.9647	0.5463	1.7280	1.0896	1.2680	1.0117	0.6540	1.1628	0.8956	1.2454	1.1365	1.1543	1.1616	1.5116	1.0508	1.6057	1.7775	1.4074	0.7698	0.0032	0.8379	1.0458	1.0417	1.1017
Testosterone sulfate	1.0803	1.0793	0.9224	0.4189	0.3578	0.3379	0.5114	0.6263	0.7503	0.4431	0.5198	0.7138	0.4528	1.8182	1.6641	0.2801	0.6139	0.2547	0.3421	0.6838	1.3374	1.3779	0.9542	1.1843	0.8007	3.6017	2.8527	1.4657	1.6024	0.4727	0.2617	0.2824	0.7673	0.3302	0.1709	0.2406	2.0475	1.4397	0.6861	0.5101	0.0680	0.1069	0.5219	0.6168	1.0994	0.7117	0.3740	0.3620	0.6818	0.6465	0.3494	0.2045	1.6605	2.0955	1.4340	1.2828	0.8825	0.6151	0.3336	0.3270	1.4693	1.6712	1.4373	0.9260	0.6580	0.5045	0.5020	0.4508	0.6427	0.7431	0.4916	0.4578	1.1985	0.6162	0.4103	0.4252	0.8051	0.5205	1.7072	1.7195	0.7109	0.6000	1.0557	2.6592	1.0918	1.2968	0.7011	1.9810	1.8474	0.6908	1.2300	1.3161	1.7413	1.5435	0.4254	0.2318	1.3514	1.2376	1.4934	2.4183	2.3440	1.6313	1.2907	0.5229	0.4474	0.6729	0.5454	0.9186	0.5273	0.3853	0.7390	1.4699	0.4075	1.4654	0.3297	2.1367	0.5062	1.6229	0.9849	1.8413	0.8073	2.1019	1.4089	1.0761	0.3229	0.5597	3.3273	1.8172	1.4762	0.8754	1.5072	0.7633	1.8258	1.9592	1.0314	1.9114	2.6424	1.1069	0.0727	1.5115	1.2703	0.8592	0.7204	0.0003	2.8817	1.2152	1.2157	1.1159
THIODIPROPIONIC ACID	1.3013	0.9506	1.0881	1.1731	1.4278	1.2293	0.7468	0.5521	0.7383	0.6736	1.9198	0.8823	0.8094	1.0504	0.4062	1.9260	0.9909	3.0228	1.7919	1.1357	1.1397	0.8619	0.8453	0.8840	0.6009	0.6542	0.8849	2.0400	1.6489	2.5390	1.2945	1.2590	0.5040	0.4840	2.5316	1.1851	1.7378	1.4802	1.7192	2.1735	4.4178	3.5141	1.3901	1.3054	1.7434	1.0027	0.8269	0.6393	1.5322	0.9047	1.7207	1.4807	0.8316	0.8717	3.2843	3.2687	1.1401	0.9441	0.6852	1.4832	1.5673	0.7610	0.9178	0.7447	1.2671	0.9933	0.8262	0.7046	1.1565	0.8485	0.9744	0.7801	2.2240	0.5638	1.1084	0.9414	1.6660	1.1224	0.7519	0.4757	0.6665	0.5789	0.4834	0.9782	0.4377	0.5737	0.4814	0.9691	0.5662	1.0377	0.5827	0.6139	0.6032	0.4587	0.6217	0.6803	0.5209	0.5055	0.6415	0.5250	0.6260	0.9142	0.8000	0.5619	1.0707	1.3714	0.9249	0.4679	0.6266	0.8464	0.7171	0.8208	0.8848	0.9701	1.1079	0.6212	0.9410	0.9154	1.4117	0.5909	0.7124	0.9649	0.8035	0.7531	2.5202	0.8429	0.8949	0.6825	0.4435	0.9252	0.3233	0.9722	0.4676	0.7340	0.6947	1.2258	0.8498	0.8888	0.8528	0.5468	0.9629	0.6945	0.9309	0.0312	0.6518	0.5005	1.0190	0.5615
thymol sulfate	0.9822	0.4224	0.0538	0.2576	0.0417	0.0257	0.0811	0.0667	0.3144	0.0711	1.7686	0.3768	0.0513	0.0087	0.0341	2.1785	0.1193	0.0457	0.0221	1.4404	0.0791	0.6151	0.0220	3.8775	0.1702	0.0346	1.1525	0.2227	0.0072	5.0832	0.3186	0.0550	0.0791	0.2344	0.0228	2.6069	0.6611	0.1482	0.4036	0.0345	2.9775	0.2594	0.0509	0.6364	3.2873	2.0801	0.1298	0.3653	8.0936	0.0698	0.1163	0.0807	0.5690	0.3574	0.2099	0.2606	0.2071	0.2302	0.1499	0.1261	0.8942	2.3231	0.4472	0.1126	0.0072	0.1416	0.3077	0.0740	1.8516	1.6937	6.6394	3.1633	0.1997	3.1201	0.0173	0.0823	0.1286	0.0380	0.0422	0.0299	0.0186	0.1497	0.1630	0.4574	0.2736	0.0121	0.1106	0.5929	3.1428	0.0713	0.0829	0.0767	2.2491	0.0999	3.3206	3.7323	20.1383	16.4996	0.2878	3.3832	0.2906	0.0071	0.0142	0.4407	0.1825	0.7117	0.0852	0.4483	0.0150	0.6515	0.0805	0.4823	0.6157	0.0351	0.3525	0.0305	0.9329	0.1543	0.2588	0.3279	6.7429	0.0305	0.3057	0.7368	0.0384	0.9797	0.0989	0.0153	0.8774	1.3751	0.2335	0.3290	4.7600	0.0677	2.9408	0.5149	0.8348	0.4713	0.5667	0.9049	0.0249	0.0298	0.3941	0.0061	0.0504	0.1945	1.2307	0.5339
trans-Petroselinic acid	0.6298	1.5794	1.0081	1.1740	1.0609	1.0890	0.6386	1.2378	0.9969	0.7914	1.4683	1.3882	0.9332	1.8613	1.8359	0.5527	1.2048	0.9370	0.8156	0.5891	0.7456	0.7973	0.7930	0.7498	0.8686	1.6809	0.9112	1.6954	1.4152	0.2819	0.5061	1.6445	1.6399	1.8818	1.4404	0.9508	1.4175	1.1132	0.9533	0.5039	0.6463	1.6502	0.9775	1.2559	1.1821	0.6539	1.2254	0.4082	1.0011	0.4497	1.6481	1.2352	0.7023	1.6103	1.1304	0.9893	1.6216	1.0189	1.3233	0.8382	0.7607	1.0261	0.9605	1.0338	0.7553	1.0208	0.6999	1.0126	0.5028	0.8754	0.7115	0.5977	0.9185	1.0535	1.0257	0.5763	0.9254	1.4638	0.4887	0.8805	0.6574	1.2835	1.5179	0.4552	1.2466	1.6600	1.0341	0.6035	0.5052	0.8725	1.0348	0.6839	2.0270	2.5272	0.9534	1.2375	1.2846	0.8675	1.3305	1.0935	1.4904	1.3182	1.1608	0.8593	0.6767	0.8092	1.0836	1.3128	1.0723	0.8796	1.0810	1.3030	1.1018	0.5902	0.8433	0.9741	1.4861	0.8889	0.7134	1.1891	1.1206	0.8488	0.9710	0.8971	0.2935	1.5407	1.7585	2.4163	1.1485	1.5639	1.1741	1.0121	1.0816	0.5786	0.4106	0.7221	0.4214	1.1476	1.8632	0.6858	0.6884	0.4384	2.3500	0.0010	0.5669	1.6123	1.0163	0.9929
Triclosan sulfate	5.6942	2.0551	3.6565	9.4348	0.0223	0.0213	5.3975	0.0225	0.0257	0.0215	0.0268	0.0226	0.0181	0.0211	0.0227	0.0186	0.0202	0.0486	0.0237	0.0312	0.0229	0.0294	0.1924	0.0295	0.0281	0.2159	0.0350	0.0267	0.0263	0.2756	0.0231	0.0235	0.0363	0.1789	0.0430	0.0358	0.0333	0.0528	11.9142	6.5110	0.0372	0.1243	4.0529	0.9259	0.1290	0.1559	0.0325	0.0199	0.0253	0.0219	0.0221	0.0222	0.0203	0.0183	0.0293	0.0780	0.0182	0.0225	0.1737	0.0241	0.0199	0.0209	0.0314	0.0371	0.0296	0.0288	0.5229	0.0225	0.0270	0.0269	7.3842	0.4075	23.0864	0.0209	0.0332	0.0264	0.0244	0.0280	0.0587	0.0215	3.9439	13.3826	0.3098	1.3625	0.0217	0.0177	5.2576	0.0267	1.0142	0.0425	0.0309	0.0266	1.2681	0.0414	0.0604	0.0315	0.0217	0.0297	0.0220	0.0315	0.0451	0.0215	0.0210	0.0379	1.4074	0.0212	0.0299	0.0208	0.0357	0.0397	0.0308	0.0224	0.0360	8.1927	0.0317	0.0271	0.1536	0.0248	0.0196	0.1608	0.6192	0.0393	0.0285	10.8254	2.4234	0.0854	0.4664	0.0403	0.0268	6.4970	0.0931	0.0272	0.0256	0.0231	10.6699	3.9553	0.0225	10.5037	0.0679	0.1904	0.0246	4.5654	0.0245	0.0250	0.4674	0.0374	0.0594	0.6717
Uricacid	1.0381	0.8613	1.2562	0.8792	0.7846	1.1011	0.9493	0.9138	0.9989	0.8787	1.4014	0.9618	1.0028	1.0647	2.0540	1.1327	0.9610	1.3613	1.0953	0.5366	1.0245	0.7907	0.5997	0.9070	0.9750	0.9077	1.1810	1.3236	1.3690	1.3190	1.1190	1.0743	0.9388	0.7611	0.9317	0.8645	1.1017	0.9311	1.1974	1.0532	1.4180	0.8525	0.6994	0.7083	1.2532	1.1278	1.2572	1.2233	1.3646	1.2088	1.0525	0.9561	1.2170	1.1656	1.6553	1.4399	1.0148	0.8211	1.0807	1.1063	1.2164	1.3031	0.7913	0.6902	0.7738	0.9143	0.9504	0.9138	0.6601	0.7361	0.9913	0.8592	1.4495	0.7018	1.0047	1.1744	1.0687	1.0400	0.8968	0.8227	1.1341	1.3853	0.6065	1.0665	1.4097	0.8585	1.2292	0.9063	0.8781	1.1881	1.1282	0.7725	1.8894	1.5637	1.5501	1.3906	1.0325	1.0111	1.7708	1.4181	1.0833	1.4026	0.9567	0.9472	0.8792	1.3494	1.2935	1.5449	0.9348	0.8020	1.2408	1.2940	1.0858	0.9933	1.0358	1.5948	1.3010	1.7615	1.1953	1.0437	0.8055	1.6261	1.1110	0.9946	1.1391	0.9587	1.1356	1.0054	0.6990	1.2492	0.7284	0.8808	0.8190	0.9854	1.1610	1.6892	1.2650	1.1893	1.1451	1.0595	1.0244	1.1941	0.9501	0.0001	1.2416	0.9117	0.7896	1.0622
Uridine	1.1115	1.0861	1.0342	0.8378	0.8183	1.1304	0.6903	0.7644	0.9217	1.2811	1.2802	0.7184	1.1490	0.8812	1.0862	1.0360	1.1717	1.8528	1.4857	0.9580	0.9927	0.9394	0.9491	0.7830	0.8063	0.5869	0.9717	1.3312	1.3706	1.0080	1.1570	1.7645	0.8648	0.8851	1.6085	0.9048	1.1878	1.2254	1.4804	1.1274	1.5864	1.3810	0.9841	1.0352	1.3520	1.3515	0.8107	0.8513	1.1485	1.1018	1.5756	1.4147	0.7762	0.9283	1.8350	1.7807	1.0927	1.1148	1.0734	1.3899	0.9163	1.0409	0.7996	1.0081	0.9841	1.2618	0.8583	0.7727	0.7695	0.9438	0.9509	0.9876	1.2436	0.8227	1.0216	1.1364	1.1443	1.2583	0.9649	1.0748	0.8706	1.1020	0.7391	1.3388	0.6929	0.9976	0.8461	0.8869	0.8888	1.0157	0.9952	0.9382	1.1338	1.2320	1.1818	1.4107	0.8722	0.8704	1.2751	1.0477	1.0443	1.3795	1.1977	1.0783	1.1491	1.0628	1.0397	1.0871	0.9977	0.8567	0.9908	1.0766	0.9980	1.0625	1.0590	1.0859	1.1848	1.5304	1.0705	0.8362	0.7238	1.2518	1.1694	1.1373	1.1684	1.1236	0.9640	0.9507	0.6605	1.3103	0.7434	0.9454	0.9233	1.1294	0.8324	1.0947	1.1713	1.1524	1.0236	0.9964	1.1921	1.2664	1.1539	0.0050	1.0986	0.9996	0.8871	1.0558
Ustusolate G	1.5869	0.1852	0.2357	0.1929	0.1770	0.2130	0.1937	0.2590	0.1996	0.1888	0.1800	0.1827	0.2668	0.1871	0.2462	0.2236	0.2039	0.9479	0.1967	0.2594	0.2126	0.2078	0.2693	0.1757	0.1799	0.1979	0.2361	0.1649	0.1664	0.4379	0.2108	0.1979	0.2041	0.2034	0.3010	0.1907	0.2290	0.2075	0.2331	0.2567	0.8406	0.4479	0.1893	0.2020	0.1820	0.1803	0.2451	0.2363	0.1964	0.2349	0.8346	0.2197	0.1859	0.2050	0.4732	2.8068	0.1830	0.1761	0.2826	0.1666	0.2188	0.2218	0.1916	0.1763	0.1779	0.2487	0.1895	0.1846	0.1813	0.1943	0.1741	0.1933	0.2293	0.1877	0.2028	0.3314	0.1685	0.1915	0.2095	0.2346	0.2305	0.3145	0.3073	10.3869	0.2754	0.1716	0.3412	0.1980	0.2388	0.2645	0.1917	0.1938	0.2362	0.3018	0.2759	0.2651	0.7715	0.2174	0.3483	0.2601	0.2621	0.2840	0.2171	0.2626	0.2360	0.1921	0.2124	0.2768	0.2061	0.2112	0.2815	0.1952	0.1549	0.2187	0.2122	0.3221	0.2149	10.5881	0.2806	0.2376	0.2369	0.3421	0.2537	0.1796	0.1772	0.5493	0.2227	9.0265	0.2395	0.3029	0.2254	0.2679	3.5937	0.2397	0.2786	22.1741	2.1152	0.2313	0.2015	3.6878	2.8645	1.2354	4.7394	0.1718	0.2799	0.2643	2.6216	7.3382
Vinyl 3-phenylacrylate	0.0293	0.0154	0.0199	0.0187	0.0180	0.4301	0.0258	0.0156	0.0166	0.0162	0.0162	0.0168	0.0176	0.0180	0.0208	8.0897	0.0187	6.9027	0.0142	0.0230	0.0269	0.0237	0.0197	0.0187	0.0315	0.0207	0.0188	0.0182	0.0182	0.0168	0.0149	0.0180	0.0159	0.0168	0.0264	0.0154	0.0217	0.0144	0.0198	6.9414	0.0173	0.0166	0.0170	0.0202	0.0167	0.0141	0.0208	0.0159	0.0230	0.0162	0.0168	0.0140	0.0160	0.0171	0.0236	0.0197	0.0185	0.0143	0.0343	0.0149	0.0158	0.0250	0.0194	0.0225	0.0155	0.0168	0.0238	0.0187	0.0152	0.0177	0.0195	0.0198	0.0234	0.0171	0.0194	0.0265	0.0163	0.0370	0.0162	0.0313	0.5921	0.0252	0.0306	0.0281	0.0273	0.0199	0.0334	0.0293	0.0190	0.0217	0.0167	0.0150	0.0286	0.0286	0.0224	0.0227	0.0609	0.0197	0.0404	0.0305	0.0202	0.0349	0.0213	0.0239	0.0221	23.9120	0.0336	0.0291	0.0227	0.0192	0.0248	0.0199	0.0208	0.0159	0.0243	0.0323	77.9329	0.0291	0.0165	0.0247	0.0316	0.0283	0.0242	0.0239	0.0150	0.1268	0.0177	0.0206	0.0157	0.0269	0.0275	0.0200	0.0357	0.0175	0.0259	0.0331	0.0239	0.0253	0.0239	0.0229	0.0234	0.0346	0.0267	0.0123	0.0384	0.0239	2.2454	1.5054
Vinyl 6,6-dimethylheptanoate	1.4521	1.4345	0.8620	0.7145	1.1335	1.2117	1.0368	1.2483	0.7982	0.4335	0.7986	0.5891	0.5959	1.5141	1.0599	0.4418	0.9797	0.2667	1.0794	0.4755	0.7113	1.0339	0.5883	0.9451	0.9520	1.2191	0.6725	0.9480	0.6820	0.6500	0.9371	0.8130	1.0738	0.8564	0.9489	0.7329	1.6110	1.5317	1.6043	0.3622	0.8572	1.6371	1.4947	1.6242	0.5950	0.5773	0.6036	0.5016	1.3140	0.3340	0.9163	0.9580	0.5045	1.2044	1.4158	1.2535	0.6617	0.6625	0.7963	1.0890	0.5718	0.6224	1.1270	0.9383	0.6984	0.7388	0.6271	0.8733	1.3856	1.4296	1.0519	1.0115	0.7646	0.8910	1.0797	0.4415	0.7144	0.7881	0.9606	0.9243	0.9554	1.6630	1.9296	0.4163	1.8830	1.2945	1.8891	0.5401	0.7529	0.7821	1.2760	0.6594	1.6128	1.8365	1.0564	1.4949	1.8457	1.8341	1.2627	2.1797	1.9260	1.1169	0.9959	1.1190	0.8545	0.7239	1.3458	1.0910	1.0232	1.1892	1.9482	1.0499	0.7421	0.4490	0.9133	1.9646	1.2541	0.2438	0.8154	2.6873	2.5388	0.9221	1.6844	1.0826	0.5281	0.9034	1.3553	2.0459	0.5640	1.4708	2.1281	2.1276	3.2474	1.7260	1.0983	1.8473	0.9592	1.0864	1.9535	0.9962	1.3506	0.8099	1.5627	0.0059	1.5011	1.9856	0.6558	0.5486
Vulvic acid	0.1291	0.6794	0.8564	0.5645	1.4972	1.1064	0.8710	1.1178	0.6040	0.4929	0.4641	1.1609	0.5181	1.2728	1.0298	0.4647	0.6602	0.5133	0.5940	0.7650	0.9616	1.0241	0.6993	0.4843	0.6294	0.8888	0.7242	1.4778	0.8240	0.2244	0.4029	0.8542	0.5609	1.9396	0.7502	0.7625	1.0881	0.8901	0.3099	0.1648	0.6524	3.4248	0.6697	0.8414	0.9821	1.0461	0.5218	0.3944	0.6837	0.1712	1.6179	0.8375	0.7515	1.1937	0.8306	1.1928	1.8056	0.3542	1.0570	0.6548	0.7349	0.7938	2.6959	1.2763	1.5457	1.2118	0.5891	0.6384	0.6488	1.4126	1.0026	0.6187	0.5800	0.6932	0.8750	0.7592	0.9473	1.0907	0.7763	0.8128	1.5863	0.9035	0.7389	0.9402	0.5629	1.0672	1.0535	0.6122	0.4034	0.7731	0.7592	0.5207	1.5881	2.0908	0.7847	0.5949	1.7528	0.8331	1.0226	1.6966	1.5301	1.1857	0.8665	0.8389	0.9921	0.7735	0.6831	3.2689	0.8837	0.9254	1.2469	0.6164	0.6291	0.2805	0.8531	1.0973	0.9706	0.9504	0.4057	1.4739	2.7521	1.0711	0.6432	1.0701	0.2651	1.0491	1.1991	2.0975	1.0063	1.4262	1.3690	0.7968	1.5940	0.6951	0.7055	1.5320	0.3620	0.8870	1.2465	1.8746	0.8979	0.4109	2.1185	0.4537	1.1056	1.8886	1.4908	0.9126
Xanthine	0.6287	0.9584	0.5052	0.6969	5.8648	2.1164	0.9743	0.6833	0.6211	0.4197	0.6320	1.6817	2.3245	0.9308	0.8177	0.9499	1.0606	0.9669	0.9040	1.1077	0.7084	0.9534	0.5896	0.4957	0.4099	1.2624	0.4973	0.9261	1.2529	1.1761	1.2827	3.0381	2.1428	1.7997	1.0772	0.9300	0.6715	1.3830	0.6764	1.0344	1.3579	2.8943	1.1978	0.9479	1.4193	0.6363	0.7270	1.4508	1.0105	0.6367	1.5576	0.6912	1.5810	1.4224	0.9403	1.0589	0.8876	0.5091	3.5378	1.5535	1.0367	1.0167	1.0345	1.3723	2.1065	1.6724	0.5968	0.8845	0.9924	0.9422	1.1460	1.5762	1.0795	0.9518	1.8629	3.7593	1.9444	1.6395	1.2957	1.0268	0.5980	4.8637	1.1194	1.0764	1.3695	1.1003	0.4629	1.0548	1.1524	0.7378	0.9022	0.6428	0.8166	1.0386	0.7559	0.8159	0.8454	0.8491	1.0224	1.5085	1.3659	1.9046	1.5951	1.2011	0.6338	0.7279	1.2372	0.8234	0.6914	0.5106	0.3698	1.3100	0.7671	0.6902	1.6148	1.1115	0.5878	1.2639	0.4755	0.8069	0.6640	1.6784	0.9200	0.6373	1.5710	1.4582	1.1435	0.9683	1.1633	0.8008	0.5551	0.5513	0.3635	0.6559	1.0238	0.7707	0.7407	0.8118	2.7649	0.4701	0.4239	0.7436	0.3001	0.0065	0.4566	0.4648	0.4560	0.5901

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

Factors:

F1	Sample type:HHEAR_H-2JWW7-PH-00
F2	Sample type:HHEAR_H-2JWX4-PH-00
F3	Sample type:HHEAR_H-2JX01-PH-00
F4	Sample type:HHEAR_H-2JX43-PH-00
F5	Sample type:HHEAR_H-2JXX3-PH-00
F6	Sample type:HHEAR_H-2JYK1-PH-00
F7	Sample type:HHEAR_H-2JYR6-PH-00
F8	Sample type:HHEAR_H-2JYY0-PH-00
F9	Sample type:HHEAR_H-2JZ25-PH-00
F10	Sample type:HHEAR_H-2JZ66-PH-00
F11	Sample type:HHEAR_H-2JZM6-PH-00
F12	Sample type:HHEAR_H-2JZN3-PH-00
F13	Sample type:HHEAR_H-2JZQ7-PH-00
F14	Sample type:HHEAR_H-2JZR5-PH-00
F15	Sample type:HHEAR_H-2K025-PH-00
F16	Sample type:HHEAR_H-2K058-PH-00
F17	Sample type:HHEAR_H-2K066-PH-00
F18	Sample type:HHEAR_H-2K082-PH-00
F19	Sample type:HHEAR_H-2K0G9-PH-00
F20	Sample type:HHEAR_H-2K0L8-PH-00
F21	Sample type:HHEAR_H-2K0M6-PH-00
F22	Sample type:HHEAR_H-2K0V6-PH-00
F23	Sample type:HHEAR_H-2K0W4-PH-00
F24	Sample type:HHEAR_H-2K124-PH-00
F25	Sample type:HHEAR_H-2K132-PH-00
F26	Sample type:HHEAR_H-2K140-PH-00
F27	Sample type:HHEAR_H-2K157-PH-00
F28	Sample type:HHEAR_H-2K1B9-PH-00
F29	Sample type:HHEAR_H-2K1L7-PH-00
F30	Sample type:HHEAR_H-2K1V5-PH-00
F31	Sample type:HHEAR_H-2K215-PH-00
F32	Sample type:HHEAR_H-2K223-PH-00
F33	Sample type:HHEAR_H-2K264-PH-00
F34	Sample type:HHEAR_H-2K298-PH-00
F35	Sample type:HHEAR_H-2K2A0-PH-00
F36	Sample type:HHEAR_H-2K2B8-PH-00
F37	Sample type:HHEAR_H-2K2C6-PH-00
F38	Sample type:HHEAR_H-2K2G7-PH-00
F39	Sample type:HHEAR_H-2K2U6-PH-00
F40	Sample type:HHEAR_H-2K363-PH-00
F41	Sample type:HHEAR_H-2K3G6-PH-00
F42	Sample type:HHEAR_H-2K3H4-PH-00
F43	Sample type:HHEAR_H-2K3L5-PH-00
F44	Sample type:HHEAR_H-2K3Q4-PH-00
F45	Sample type:HHEAR_H-2K3U5-PH-00
F46	Sample type:HHEAR_H-2K3W1-PH-00
F47	Sample type:HHEAR_H-2K439-PH-00
F48	Sample type:HHEAR_H-2K454-PH-00
F49	Sample type:HHEAR_H-2K462-PH-00
F50	Sample type:HHEAR_H-2K4D1-PH-00
F51	Sample type:HHEAR_H-2K4H3-PH-00
F52	Sample type:HHEAR_H-2K4P5-PH-00
F53	Sample type:HHEAR_H-2K4T6-PH-00
F54	Sample type:HHEAR_H-2K4U4-PH-00
F55	Sample type:HHEAR_H-2K538-PH-00
F56	Sample type:HHEAR_H-2K561-PH-00
F57	Sample type:HHEAR_H-2K595-PH-00
F58	Sample type:HHEAR_H-2K5B5-PH-00
F59	Sample type:HHEAR_H-2K5G4-PH-00
F60	Sample type:HHEAR_H-2K5V1-PH-00
F61	Sample type:HHEAR_H-2K5W9-PH-00
F62	Sample type:HHEAR_H-2K5X6-PH-00
F63	Sample type:HHEAR_H-2K5Y4-PH-00
F64	Sample type:HHEAR_H-2K678-PH-00
F65	Sample type:HHEAR_H-2K694-PH-00
F66	Sample type:HHEAR_H-2K6A6-PH-00
F67	Sample type:HHEAR_H-2K6C2-PH-00
F68	Sample type:HHEAR_H-2K6L2-PH-00
F69	Sample type:HHEAR_H-2K6Q1-PH-00
F70	Sample type:HHEAR_H-2K6R9-PH-00
F71	Sample type:HHEAR_H-2K777-PH-00
F72	Sample type:HHEAR_H-2K7B3-PH-00
F73	Sample type:HHEAR_H-2K7J5-PH-00
F74	Sample type:HHEAR_H-2K7M9-PH-00
F75	Sample type:HHEAR_H-2K7P2-PH-00
F76	Sample type:HHEAR_H-2K7Q0-PH-00
F77	Sample type:HHEAR_H-2K7T3-PH-00
F78	Sample type:HHEAR_H-2K7V9-PH-00
F79	Sample type:HHEAR_H-2K7W7-PH-00
F80	Sample type:HHEAR_H-2K801-PH-00
F81	Sample type:HHEAR_H-2K843-PH-00
F82	Sample type:HHEAR_H-2K850-PH-00
F83	Sample type:HHEAR_H-2K884-PH-00
F84	Sample type:HHEAR_H-4M3Q8-PH-00
F85	Sample type:HHEAR_H-6DK03-PH-00
F86	Sample type:HHEAR_H-6DK52-PH-00
F87	Sample type:HHEAR_H-6DLS5-PH-00
F88	Sample type:HHEAR_H-6DNJ3-PH-00
F89	Sample type:HHEAR_H-6DP16-PH-00
F90	Sample type:HHEAR_H-6DQH5-PH-00
F91	Sample type:HHEAR_H-6DR89-PH-00
F92	Sample type:HHEAR_H-6DS21-PH-00
F93	Sample type:HHEAR_H-6DSF7-PH-00
F94	Sample type:HHEAR_H-6DT79-PH-00
F95	Sample type:HHEAR_H-6DU11-PH-00
F96	Sample type:HHEAR_H-6DUV0-PH-00
F97	Sample type:HHEAR_H-6DVA5-PH-00
F98	Sample type:HHEAR_H-6DW19-PH-00
F99	Sample type:HHEAR_H-6DWU0-PH-00
F100	Sample type:HHEAR_H-6DX67-PH-00
F101	Sample type:HHEAR_H-6DXR6-PH-00
F102	Sample type:HHEAR_H-6DZY8-PH-00
F103	Sample type:HHEAR_H-6E0X0-PH-00
F104	Sample type:HHEAR_H-6E2G6-PH-00
F105	Sample type:HHEAR_H-6E4G4-PH-00
F106	Sample type:HHEAR_H-6E4J7-PH-00
F107	Sample type:HHEAR_H-6E537-PH-00
F108	Sample type:HHEAR_H-6E958-PH-00
F109	Sample type:HHEAR_H-6EAW6-PH-00
F110	Sample type:HHEAR_H-6EBL9-PH-00
F111	Sample type:HHEAR_H-6ECY9-PH-00
F112	Sample type:HHEAR_H-6ED08-PH-00
F113	Sample type:HHEAR_H-6EDR4-PH-00
F114	Sample type:HHEAR_H-6EE15-PH-00
F115	Sample type:HHEAR_H-6EF89-PH-00
F116	Sample type:HHEAR_H-6EG88-PH-00
F117	Sample type:HHEAR_H-6EHT5-PH-00
F118	Sample type:HHEAR_H-6EJ85-PH-00
F119	Sample type:HHEAR_H-6EJL1-PH-00
F120	Sample type:HHEAR_H-6EK01-PH-00
F121	Sample type:HHEAR_H-6EK76-PH-00
F122	Sample type:HHEAR_H-6ELB1-PH-00
F123	Sample type:HHEAR_H-6ELQ8-PH-00
F124	Sample type:HHEAR_H-6EMA2-PH-00
F125	Sample type:HHEAR_H-6EPB7-PH-00
F126	Sample type:HHEAR_H-8CZF1-PH-00
F127	Sample type:HHEAR_H-9K5J0-PH-00
F128	Sample type:HHEAR_H-BGRT9-PH-00
F129	Sample type:HHEAR_H-BU6E9-PH-00
F130	Sample type:HHEAR_H-CG704-PH-00
F131	Sample type:HHEAR_H-CJMW0-PH-00
F132	Sample type:HHEAR_H-D2R10-PH-00
F133	Sample type:HHEAR_H-FLQM1-PH-00
F134	Sample type:HHEAR_H-JDQC6-PH-00
F135	Sample type:HHEAR_H-K00C2-PH-00
F136	Sample type:HHEAR_H-K3CQ6-PH-00
F137	Sample type:HHEAR_H-MUPA1-PH-00
F138	Sample type:HHEAR_H-P5AX2-PH-00
F139	Sample type:HHEAR_H-S0393-PH-00
F140	Sample type:HHEAR_H-SSV91-PH-00
F141	Sample type:HHEAR_H-UE817-PH-00
F142	Sample type:HHEAR_H-VTVD1-PH-00
F143	Sample type:HHEAR_H-WPVY3-PH-00
F144	Sample type:HHEAR_H-XM2W0-PH-00
F145	Sample type:HHEAR_H-YEZ27-PH-00
F146	Sample type:HHEAR_H-YTAE7-PH-00
F147	Sample type:HHEAR_ref
F148	Sample type:NIST