Metabolite_name	RefMet_name	F01_V1	F01_V4	F01_V6	F04_V1	F04_V4	F04_V6	F05_V1	F05_V4	F05_V6	F08_V1	F08_V4	F08_V6	F09_V1	F09_V4	F09_V6	F11_V1	F11_V4	F11_V6	F15_V1	F15_V4	F15_V6	F16_V1	F16_V4	F16_V6	F17_V1	F17_V4	F17_V6	F20_V1	F20_V4	F20_V6	F24_V1	F24_V4	F24_V6	F26_V1	F26_V4	F26_V6	F29_V1	F29_V4	F29_V6	F31_V1	F31_V4	F31_V6	F32_V1	F32_V4	F32_V6	L06_V1	L06_V4	L06_V6	L07_V1	L07_V4	L07_V6	L08_V1	L08_V4	L08_V6	L10_V1	L10_V4	L10_V6	L12_V1	L12_V4	L12_V6	L14_V1	L14_V4	L14_V6	L16_V1	L16_V4	L16_V6	L18_V1	L18_V4	L18_V6	L22_V1	L22_V4	L22_V6	L28_V1	L28_V4	L28_V6	L30_V1	L30_V4	L30_V6	L33_V1	L33_V4	L33_V6	L35_V1	L35_V4	L35_V6	L40_V1	L40_V4	L40_V6	P02_V1	P02_V4	P02_V6	P03_V1	P03_V4	P03_V6	P07_V1	P07_V4	P07_V6	P11_V1	P11_V4	P11_V6	P15_V1	P15_V4	P15_V6	P18_V1	P18_V4	P18_V6	P22_V1	P22_V4	P22_V6	P23_V1	P23_V4	P23_V6	P26_V1	P26_V4	P26_V6	P30_V1	P30_V4	P30_V6	P31_V1	P31_V4	P31_V6	P34_V1	P34_V4	P34_V6	P39_V1	P39_V4	P39_V6	P40_V1	P40_V4	P40_V6	P43_V1	P43_V4	P43_V6	P44_V1	P44_V4	P44_V6	P46_V1	P46_V4	P46_V6	P47_V1	P47_V4	P47_V6	P48_V1	P48_V4	P48_V6	P52_V1	P52_V4	P52_V6	P55_V1	P55_V4	P55_V6	P60_V1	P60_V4	P60_V6	P62_V1	P62_V4	P62_V6	P64_V1	P64_V4	P64_V6	F02_V1	F02_V4	F02_V6	F03_V1	F03_V4	F03_V6	F06_V1	F06_V4	F06_V6	F07_V1	F07_V4	F07_V6	F10_V1	F10_V4	F10_V6	F12_V1	F12_V4	F12_V6	F13_V1	F13_V4	F13_V6	F14_V1	F14_V4	F14_V6	F18_V1	F18_V4	F18_V6	F21_V1	F21_V4	F21_V6	F23_V1	F23_V4	F23_V6	F25_V1	F25_V4	F25_V6	L01_V1	L01_V4	L01_V6	L03_V1	L03_V4	L03_V6	L09_V1	L09_V4	L09_V6	L11_V1	L11_V4	L11_V6	L13_V1	L13_V4	L13_V6	L15_V1	L15_V4	L15_V6	L17_V1	L17_V4	L17_V6	L21_V1	L21_V4	L21_V6	L23_V1	L23_V4	L23_V6	L24_V1	L24_V4	L24_V6	L29_V1	L29_V4	L29_V6	L31_V1	L31_V4	L31_V6	L37_V1	L37_V4	L37_V6	L38_V1	L38_V4	L38_V6	P01_V1	P01_V4	P01_V6	P05_V1	P05_V4	P05_V6	P06_V1	P06_V4	P06_V6	P09_V1	P09_V4	P09_V6	P12_V1	P12_V4	P12_V6	P13_V1	P13_V4	P13_V6	P16_V1	P16_V4	P16_V6	P17_V1	P17_V4	P17_V6	P20_V1	P20_V4	P20_V6	P21_V1	P21_V4	P21_V6	P24_V1	P24_V4	P24_V6	P28_V1	P28_V4	P28_V6	P29_V1	P29_V4	P29_V6	P32_V1	P32_V4	P32_V6	P33_V1	P33_V4	P33_V6	P35_V1	P35_V4	P35_V6	P37_V1	P37_V4	P37_V6	P41_V1	P41_V4	P41_V6	P42_V1	P42_V4	P42_V6	P49_V1	P49_V4	P49_V6	P50_V1	P50_V4	P50_V6	P61_V1	P61_V4	P61_V6	P63_V1	P63_V4	P63_V6	P65_V1	P65_V4	P65_V6
Factors	-	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Treated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated	Treatedrial arm:Untreated
Acetyl-HGA		1.8618	0.0287	0.3211	2.0573	-0.7637	1.6833	1.1170	-0.9980	-1.4652	1.4959	-1.6973	-0.8735	1.3901	-0.1766	-0.1828	1.5354	-0.4007	-0.6409	1.6342	-2.7623	-0.1538	1.3957	-1.8896	-0.2803	1.7281	1.1961	-0.3520	2.2368	0.2967	0.7737	1.8895	-0.6534	0.0122	2.0292	-1.1119	-0.1490	1.2077	-0.0899	-0.0538	1.3585	-1.1226	0.5137	0.8489	-1.4896	1.3650	-0.1423	-1.9932	-0.7389	0.1571	-1.7530	0.0846	1.6401	-0.9954	-0.9213	1.1538	0.1710	-1.0380	0.8236	-1.6154	-1.4206	1.3835	-1.3237	-0.0570	0.8009	-0.9149	-1.4583	0.4580	-2.1260	-1.5082	0.8857	-0.9646	-0.6505	1.6413	-1.3051	-1.0177	1.0133	-0.2083	-0.8869	2.0517	-0.7853	-0.5518	0.7931	0.2523	1.4670	1.2299	-1.5874	-1.6297	-5.5736	-1.9275	-0.7820	-0.8189	-3.8981	-2.8350	0.4249	-2.6971	-1.5675	0.1401	-1.8123	-1.3468	-0.0578	-3.8884	-2.2846	0.4173	-1.7195	-0.1264	0.1800	-1.6656	-1.2172	-0.3985	-1.6928	-1.9131	-0.2140	-2.1233	-2.0970	0.6665	-1.1708	-1.0017	-0.0679	-2.3874	-2.0766	0.9974	-1.5096	-2.0007	-0.7748	-2.0769	-2.5523	0.6542	0.7239	0.8445	0.2289	-2.4689	-1.3070	0.1733	-1.1187	-1.4789	0.3317	-1.3626	-0.2217	1.0057	-1.1461	-0.4293	-0.8181	-1.1690	-0.2532	-0.2549	-1.5008	-1.1107	1.0415	-1.4474	-1.7808	0.2056	-1.2893	-1.0209	-0.0893	-2.1650	-1.0777	1.3573	-0.9082	-0.0349	1.5863	1.5852	2.3059	1.2655	1.4783	1.1438	1.3966	0.5730	2.0258	1.2528	1.0463	2.8121	1.3248	1.9180	2.2569	2.0481	1.6577	1.9208	0.7095	1.4338	2.1972	0.0257	-0.4488	1.8363	1.3241	0.0735	2.4395	1.6883	1.2550	2.8108	1.6023	1.2812	1.4626	1.2316	0.5249	1.7841	0.6343	0.1297	0.6555	-0.8699	2.0846	1.4649	1.8840	1.8080	1.5921	0.1149	1.4006	1.6061	1.0194	1.6295	1.4735	1.7221	0.8763	1.2827	1.2806	0.3262	0.5633	0.9763	0.3602	0.8751	0.9619	1.2136	0.9216	1.7603	-0.1369	1.6346	1.3597	1.1239	1.4872	1.4923	1.5510	1.9993	1.2677	0.5303	0.5479	1.5607	0.9911	0.2219	-0.5084	-1.1300	0.0843	-0.7280	-0.4083	0.4533	-0.9729	-1.8140	0.4133	1.2836	-0.9243	0.2190	1.1241	-0.7448	0.2325	-0.2436	-0.9447	0.1367	-0.4507	-0.8568	0.5480	0.2883	0.0234	0.9163	-0.4268	0.6871	1.0606	-2.2315	-1.1310	-0.0031	-0.6502	0.2287	0.1744	-0.4627	0.1230	-0.5459	-0.0110	0.2018	-0.5048	-3.7773	-0.0229	0.1604	0.6312	0.5329	-1.7812	-0.0365	-0.0641	-0.8227	-0.4803	1.1290	0.6469	-0.2355	1.1911	0.5556	0.6578	1.0146	-1.4236	0.0480	0.0997	0.5370	-0.0269	-0.1023	0.1465	-0.4513	-0.2101	-0.8283	-0.3249	-0.3964	1.1945	0.7014	-0.5833	0.3235
HGA	Homogentisic acid	1.3079	-0.9455	-1.8598	1.6500	0.0031	1.2124	1.2008	-1.8221	-1.4805	0.9196	-2.8952	-2.8944	1.3168	-2.0320	-1.9729	1.2919	-3.0283	-3.0026	1.7409	-2.8939	-2.4904	1.7706	-3.8975	-3.1244	1.7231	-1.9042	-2.9520	1.2662	-0.2749	-2.1868	1.3629	-2.6639	-2.1725	1.2058	-3.2634	-2.8779	0.8727	-1.8408	-2.5091	1.3705	-3.5792	-3.1906	1.0729	-5.0794	-3.8873	1.2636	-3.6405	-2.3379	0.9895	-3.2133	-2.7626	1.3401	-1.7747	-2.2506	1.5651	-1.6653	-2.0701	1.2398	-2.9643	-2.2107	1.4374	-0.8359	-0.2590	0.9815	-3.0536	-2.5350	1.0163	-2.0491	-1.8424	1.1106	-2.1531	-2.5163	1.1610	-1.6758	-1.8495	1.2527	-0.3795	-2.0247	1.5965	-2.1458	-1.8169	0.7673	0.9672	1.4608	1.1024	-3.7655	-3.6128	0.9498	-3.7121	-2.2319	0.6848	-2.5216	-2.5436	1.0477	-2.1913	-2.1148	0.7848	-2.5425	-2.0513	0.6630	-2.1306	-1.8142	1.0053	-2.1330	0.0135	1.1961	-2.6878	-2.4911	0.9758	-2.0690	-2.1428	0.9623	-2.1546	-2.2027	0.8353	-1.7496	0.1837	1.3418	-2.8072	-2.1097	0.8347	-2.6762	-2.2778	1.0190	-2.9654	-1.0294	1.2845	1.3205	1.0691	0.8237	-3.0042	-0.5826	0.8986	-3.1166	-2.0157	1.1163	-3.7495	-0.8876	1.0513	-1.6897	-1.3882	1.0779	-0.1570	0.8092	0.9214	-2.1902	-0.4563	1.2340	-3.2054	-3.3338	0.9918	-2.9738	-2.3772	0.7087	-3.4011	-1.9806	1.4561	-3.0812	-2.5769	1.0243	0.8769	1.5677	1.1372	0.8338	1.3011	1.0244	0.5131	1.3939	1.0563	1.0286	2.1460	1.0392	1.5024	1.8483	1.4540	1.8080	1.4577	1.0528	1.2846	1.7311	0.8190	0.4907	1.4814	1.2131	0.8486	2.2848	1.0695	1.3544	1.8509	1.3306	1.2289	1.4580	1.1798	0.5803	1.1683	1.1543	0.9738	1.2880	1.4504	1.2271	1.5381	1.7481	1.5734	1.5738	1.0812	1.3124	1.6116	1.1587	1.4470	1.2770	1.0621	1.0936	1.3509	0.9868	0.9965	1.3933	0.9539	0.8581	1.3584	1.1788	1.2310	1.6081	1.2584	0.8897	1.5344	1.4124	1.2487	1.6120	1.6235	1.6207	1.9188	1.2563	0.9922	1.0761	1.5411	0.9830	1.3605	0.9671	1.0187	0.8460	1.0924	0.8485	1.6655	0.9329	0.9684	1.1087	0.9084	0.6495	0.6970	0.9180	1.1626	0.9186	1.1266	1.0867	1.3854	1.0977	0.9324	0.9312	1.0373	1.0283	1.2445	0.8056	0.7819	0.9455	0.4788	1.2529	0.9055	0.9453	0.9608	1.3244	0.7738	0.8973	0.6809	0.9804	1.1604	1.1271	1.0963	1.1721	1.5441	0.9009	0.8353	0.6095	1.3855	1.3966	1.1895	0.8325	0.7109	1.9080	1.0569	1.0116	1.3144	1.0900	1.3563	2.2785	0.8652	0.9341	1.4363	1.0720	1.1539	1.8531	0.9343	0.9426	0.9918	1.6598	1.3524	1.1387	1.1752	0.9522	0.8787
HGA sulfate		1.7477	-1.7792	-2.6073	2.1539	-1.1516	1.7060	1.8568	-1.6214	-3.2683	1.6120	-3.6745	-2.1569	1.6253	-1.9021	-1.9711	1.6998	-2.2091	-3.2702	2.3962	-3.3733	-2.6783	1.7217	-6.0128	-3.2455	2.4032	-1.6294	-3.5529	2.1010	-0.4494	-1.8614	1.8058	-2.6171	-2.5606	1.8739	-2.9212	-2.4371	1.4789	-2.7385	-2.5898	1.9483	-3.0524	-2.4778	1.8237	-6.3350	-5.1248	0.9233	-4.7393	-3.6628	0.3816	-4.6804	-2.4341	1.3167	-2.8721	-3.4466	0.9096	-2.7369	-2.7972	1.5666	-3.0691	-2.8355	1.8311	-1.8577	-0.5763	1.8707	-2.3381	-3.1157	0.6962	-2.4133	-2.0068	0.5387	-2.7069	-4.2931	1.7761	-3.0047	-2.5315	2.0011	-0.3542	-3.1294	2.1741	-2.2525	-1.7713	1.3345	0.8410	1.8194	1.8518	-3.6563	-3.1517	-0.2108	-4.9879	-3.0235	0.6243	-2.9070	-3.5272	1.5264	-2.6775	-2.0194	1.4808	-3.2848	-2.0188	1.0689	-2.9661	-2.0600	1.2997	-2.4860	-0.4190	1.1422	-3.1496	-3.4514	1.0265	-2.1703	-2.5014	0.6476	-2.9031	-2.9099	0.4302	-6.4214	-0.5552	1.2487	-3.8219	-2.6585	1.5028	-2.7816	-3.1307	0.6612	-3.8752	-1.8386	1.2805	1.3856	1.7532	1.4352	-3.2070	-0.6181	1.1810	-2.5728	-2.3186	1.3945	-2.5994	-0.5368	1.7069	-2.0798	-1.8525	0.7580	-0.7184	-0.1131	0.7269	-2.6214	-0.3144	1.9744	-2.5305	-3.2245	0.9318	-4.1170	-2.7023	1.3658	-3.8032	-1.9949	1.7920	-3.8215	-2.3783	1.3525	1.4389	2.0076	1.8062	1.6744	1.5800	1.8805	1.6558	2.2527	1.5795	1.5613	2.5272	1.7749	1.4792	2.4231	1.5446	2.3752	2.0303	1.1472	1.4946	2.0142	0.2609	0.5028	1.9593	1.7299	1.4089	2.7351	1.6030	1.6665	2.3976	2.0296	1.5682	1.8288	1.0128	1.1537	1.8734	1.4865	1.1567	1.6190	1.9690	1.6402	1.6834	1.9744	1.9094	1.8847	1.1010	1.2025	1.0212	0.4710	1.5383	1.6976	1.6276	1.3976	1.4597	1.6567	1.0847	1.1216	1.3443	0.5337	0.7079	0.4103	0.3320	0.1086	1.8612	0.5404	2.1344	1.9882	1.6201	2.0467	1.5334	1.7908	1.9090	1.3458	0.8126	1.3325	1.6868	1.4351	0.6335	-0.1203	0.2290	0.1727	0.7862	1.1655	1.3051	0.7085	1.4172	1.1942	1.9670	1.4060	1.4334	1.4975	1.6370	1.2856	0.6954	0.7493	2.0525	0.7819	0.7733	1.6359	1.2620	1.3405	1.1900	1.0696	1.2041	1.4075	1.2729	1.0560	1.7137	0.9138	1.2831	1.3316	0.4886	1.0699	0.8880	1.0722	1.3805	0.6285	1.2547	1.0327	2.0818	1.0891	0.0100	-0.3716	0.9640	0.9835	0.9445	0.8497	1.5259	1.9660	0.3724	1.4235	1.8576	1.5203	1.5423	1.8177	1.3926	1.3471	2.2797	0.7080	0.8906	1.6968	0.2884	0.2489	0.5948	2.0504	1.2743	1.6544	1.1403	0.9768	0.4879
HPLA	4-Hydroxyphenyllactic acid	0.0008	2.7250	3.2157	-0.6607	2.1912	-0.1457	-0.5621	2.4792	2.7070	-0.7495	1.9185	2.0193	-0.7931	2.8389	2.5879	-1.3754	2.6562	2.4424	0.0114	2.5282	3.1991	-0.5037	2.2126	3.2620	-0.2877	3.4961	2.9066	-0.6395	3.2403	2.9704	-0.8728	2.4349	2.7504	-0.5032	2.0398	2.6806	-1.1635	2.7085	2.5641	-0.7472	2.0992	2.2362	0.2278	2.1242	3.3108	-0.9889	2.4106	2.9695	-1.6897	2.4062	2.4769	-1.2554	2.2809	2.1912	-0.8152	2.7637	2.3700	-1.6444	1.9540	2.4701	-1.1975	1.9844	2.5041	-1.7671	2.2592	2.4144	-1.8563	2.2698	2.3143	-1.7654	2.2127	2.6627	-1.5902	1.9544	2.4403	-0.7939	2.1054	2.7515	-0.3645	2.4372	2.7967	-1.1107	-1.4505	-0.5994	-0.1646	2.0654	2.1279	-1.1535	2.1660	2.5505	-1.9456	1.7907	2.0110	-1.3509	2.1070	2.4645	-2.2109	1.9801	2.1201	-1.7560	1.8068	1.7799	-1.6492	2.0951	2.0769	-1.4405	2.1810	2.4743	-1.7251	2.0573	1.9610	-1.2750	2.1728	2.2277	-2.1716	1.8617	-0.2539	-1.5866	2.3120	2.5760	-1.5577	1.7454	1.5977	-2.4857	2.1052	2.5589	-0.5293	0.1047	-0.8384	-1.1730	2.2595	2.0490	-1.3191	2.1438	2.0681	-1.6166	1.7864	3.3658	-0.9411	2.3721	2.0786	-0.8009	0.4507	2.7978	-1.6817	2.2096	2.5635	-1.8745	2.2336	2.0022	-0.8442	2.1427	2.4555	-1.1297	1.7327	2.1240	0.0175	2.3944	2.9578	-0.2391	-0.5501	0.6154	-0.9968	-0.6155	0.2023	-1.5197	-1.8047	-0.5565	-0.5039	-0.8685	-0.6592	0.0838	-0.1944	0.9288	-0.9597	-0.2136	-0.7982	-1.8483	-0.5907	0.0098	-1.3804	-1.9447	-0.9071	-0.3604	-1.5832	0.6529	-0.6031	-0.0397	-0.1377	0.1072	0.0588	0.2398	-0.3156	-0.8541	-0.4245	-1.1310	-0.7984	-1.2385	-0.5287	-0.1610	-0.7747	-0.3904	-0.0551	-0.6530	-0.7103	-1.2058	-1.1242	-0.7575	-1.2997	-1.5752	-1.1191	-1.2389	-1.1250	-1.2181	-1.7944	-1.3318	-2.2212	-0.6883	-1.3234	-1.2227	-1.8407	-1.3968	-1.2798	-2.6534	-1.0032	-1.3537	-1.0187	-1.0560	-1.2842	-0.3445	-0.2566	-1.7631	-2.1962	-1.9973	-0.4482	-2.8299	-1.0861	-2.1010	-0.0620	-1.2739	-1.2581	-0.3162	-0.1117	-1.3336	-1.1358	-1.1316	-1.4480	-2.0706	-1.4434	-0.8216	-0.6409	-1.2011	-1.2304	-0.7642	-0.8821	-1.4660	-0.5786	-0.8467	-0.8169	-1.8379	-1.2782	-1.7928	-1.8762	-1.6624	-1.9162	-1.5319	-1.6721	-1.6244	-1.5561	-1.3048	-1.8963	-1.9799	-1.6218	-0.6559	-1.1717	-1.5821	-1.7304	-0.7456	-0.0238	-1.9760	-1.2630	-1.5725	-0.6268	-0.6753	-0.9037	-2.3970	-2.1728	0.8403	-1.8388	-1.1210	-0.5473	0.1834	0.4508	1.2117	-0.7866	-0.7323	-0.0020	-1.8839	-2.0337	-1.4288	-0.7913	-0.4082	-1.4360	-2.0145	-0.7271	-1.5749	-0.4910	-2.3454	-1.1065
HPLA-glycine		-1.1361	4.2662	3.5625	-1.3338	2.9069	-1.4575	-1.6207	3.5126	3.3171	-1.5621	2.6497	2.5403	-1.4208	4.1684	3.5879	-1.1068	4.5782	2.5596	-0.9751	3.7409	3.6090	-0.7958	3.7862	3.3966	-1.0762	4.6628	2.8730	-1.3886	4.3518	3.8294	-1.3046	3.9482	3.6365	-1.2421	3.4507	3.3586	-1.4923	3.8674	3.1921	-1.3952	3.1961	3.2376	-1.1912	3.3069	3.3877	-1.1168	-1.1550	-0.6364	-1.2818	2.6169	3.6373	-1.5361	2.8495	2.7614	-1.0442	3.4228	2.6427	-1.2503	2.6192	2.4572	-1.3820	2.1890	3.1898	-1.6113	3.2065	2.4826	-1.5200	2.5644	3.5178	-1.3266	2.6789	-0.7958	-1.5414	2.9444	2.7279	-1.4693	3.0007	3.2909	-1.2741	2.5819	3.0367	-1.5921	-1.3549	-1.1642	-1.4017	2.4728	2.2979	-1.3193	-1.3753	3.4422	-1.6254	3.4871	-1.6113	-1.3952	3.3568	3.5870	-1.5035	2.1827	2.4859	-1.6483	-1.5091	2.3262	-1.6066	3.1589	2.8507	-1.3479	3.7499	4.0019	-1.7043	3.5550	2.6441	-1.5254	2.7635	2.4880	-1.5773	2.8372	-1.7002	-1.3479	2.8770	3.8297	-1.5254	3.2051	2.2261	-1.4017	3.8671	3.7192	-1.2503	-1.3046	-1.3409	-1.4515	3.5950	3.3496	-1.6346	3.2088	3.2414	-1.2818	-1.5146	4.7395	-1.5308	3.5237	3.6563	-1.1823	-1.5822	3.7174	-1.5035	3.3010	3.7182	-1.4515	2.8617	-1.4333	-1.3686	3.5711	3.4676	-1.6392	2.5354	3.0454	-1.0331	2.5342	4.1912	-1.4866	-1.5035	-1.1733	-1.6437	-1.5872	-1.4333	-1.3618	-1.8218	-0.8845	-1.2421	-1.1912	-0.5285	-1.3046	-0.9629	-0.6752	-1.3338	-0.8982	-1.1503	-1.5822	-1.4208	-1.0866	-1.5091	-1.9822	-1.0657	-1.0762	-1.4575	-0.1249	-1.6392	-1.4271	-0.9248	-1.2339	-1.2043	-1.1733	-1.4081	-1.8912	-1.2895	-1.4751	-1.6346	-1.3686	-1.2895	-1.4145	-0.9751	-0.8267	-1.0219	-0.9629	-1.3046	-1.0866	-0.8562	-1.3820	-1.0657	-1.1265	-1.5570	-1.4515	-1.1823	-1.5822	-1.5722	-1.1456	-1.2662	-1.3618	-1.1068	-1.2339	-1.2421	-0.6364	-1.4979	-1.5672	-1.1912	-1.1912	-1.2971	-0.9629	-1.1168	-0.9751	-0.6364	-1.4751	-1.6254	-1.4751	-1.1733	-1.3338	-0.8562	-1.3266	-1.3338	-1.4271	-1.3753	-1.6254	-0.9751	-1.5200	-1.5308	-1.4394	-1.5254	-1.6113	-1.4923	-1.6018	-1.4575	-1.6790	-1.3193	-1.3479	-1.1642	-1.2583	-1.3886	-1.3753	-1.6790	-1.5872	-1.2421	-1.5200	-1.6483	-1.5921	-1.7934	-1.2741	-1.4809	-1.5518	-1.4866	-1.2818	-1.7824	-1.5921	-1.7897	-1.3618	-1.1823	-1.3409	-1.3046	-1.4394	-1.2583	-1.6660	-1.6160	-1.7247	-1.0331	-1.1550	-1.2339	-1.6790	-1.6747	-0.7467	-1.3120	-1.3549	-1.3046	-1.4515	-1.2662	-0.3712	-1.5872	-1.5822	-1.3120	-1.4693	-1.3686	-0.8416	-1.4979	-1.4809	-1.4575	-0.8982	-1.0331	-1.3886	-1.3886	-1.3338	-1.5672
HPLA sulfate		-0.3166	2.6786	2.7976	-0.2191	1.7402	-0.1711	-1.6179	2.6331	2.5230	-0.8881	0.7066	2.0454	-1.2463	3.0391	2.5677	-0.9900	2.6862	2.5409	-0.4531	1.9044	3.3695	-0.6121	1.6662	2.7127	0.2808	4.1431	2.3109	-0.1835	3.8599	2.0570	-0.2196	2.4897	2.5281	-0.5595	1.7750	1.7467	-0.8511	2.1446	1.8826	0.2626	1.6083	1.6797	-0.2617	2.3524	3.3328	-0.6630	0.9583	1.4297	-1.4561	0.9760	2.5218	-1.3899	1.8466	1.3254	-0.2321	2.8380	2.3442	-0.9325	1.5466	1.7414	-1.1040	0.2794	2.8059	-0.7544	2.3065	1.5715	-1.9829	2.2222	2.5199	-1.1209	1.6672	1.7067	-0.3661	2.4279	2.6206	-0.8168	2.2415	2.4018	-0.3760	2.8433	3.3041	-1.0861	-1.6890	-0.4500	-0.4109	1.5433	2.2816	-1.8399	0.4766	2.2058	-2.0211	1.7151	1.2894	-1.4840	1.0007	2.9915	-1.2974	1.2189	2.4777	-1.5609	0.2441	2.2567	-1.2927	2.1473	1.3122	-1.0963	1.9254	1.0747	-1.7201	2.0382	1.5145	-1.2437	1.2613	1.7521	-1.4910	1.0373	-0.1147	-1.7439	1.3820	3.0264	-0.7435	1.3724	0.8976	-1.7456	1.8065	1.5617	-0.9153	-0.4745	-0.4614	-1.1083	1.4251	1.6912	-1.5905	2.3929	1.7911	-0.4905	1.7179	3.9707	-0.9041	2.5929	2.8308	-1.1529	0.0185	1.5566	-1.6380	1.9338	3.0418	-0.8700	2.3851	1.2101	-1.3704	1.7598	2.1503	-0.8729	0.3205	1.9810	-0.5435	1.8136	2.9800	-0.4471	-0.5279	0.0124	-0.9952	-0.5211	-0.4126	-0.6123	-1.1861	0.3629	-0.6475	-0.4123	0.0204	-0.3501	0.7263	0.7605	-1.1254	-0.3074	-0.1827	-1.6218	-0.4906	-0.2159	-0.9419	-1.4369	-0.1904	-0.1820	-0.6885	1.0403	-0.6392	-0.3782	0.4930	-0.3805	-0.4161	-0.1342	-1.2039	-0.8697	-0.0442	-1.2318	-0.6530	-1.3865	-0.2407	-0.1339	-0.3615	-0.3354	-0.1739	-0.1902	-1.4328	-1.1714	-0.8088	-1.4209	-0.4670	-0.3687	-0.8072	-0.6375	-0.5820	-0.7107	-1.2294	-0.7883	-0.5591	-0.6939	-0.4577	-1.4572	-1.2132	-0.2717	-0.0684	-1.6690	-0.4241	-0.0579	-0.7739	-0.3198	-1.0516	-0.7896	-0.6064	-1.6936	-1.9297	-1.4734	-0.6823	-1.3490	-0.8865	-1.2170	-1.0909	-1.4340	-1.5492	-1.3502	-1.0412	-1.8329	-1.2340	-0.6263	-0.6308	-1.1966	-0.5351	-0.8760	-1.2276	-1.1569	-1.0627	-0.8322	-0.5529	-0.3873	-0.2285	-1.0001	-1.1607	-1.7944	-1.0023	-1.7429	-1.2829	-1.1277	-1.8155	-1.4095	-0.9228	-1.6573	-1.3888	-0.6408	-1.7357	-1.6235	-1.3943	-1.6403	-1.6512	-1.4882	-1.7221	-1.3713	-0.7177	-2.1094	-2.0367	-2.2595	-0.7153	-1.0639	-1.0859	-2.1172	-1.0835	-0.3837	-1.5987	-1.0747	-0.5630	-0.4139	-0.0021	-0.3095	-1.0909	-1.2585	-0.0751	-1.8277	-1.7677	-0.8876	-1.3524	-0.6590	-1.4049	-0.8137	-1.1100	-0.8665	-1.0783	-1.4364	-0.3853
HPPA	4-Hydroxyphenylpyruvic acid	-1.4381	3.5037	3.6750	0.1363	3.0106	0.0979	-0.1293	3.0994	3.4211	-0.6600	2.6808	2.9715	-0.0878	3.1952	3.3846	-1.5667	3.2961	3.3091	-1.1927	2.5979	3.9067	-0.8920	2.2690	3.6265	-0.6991	3.9650	3.3205	-1.3839	3.8650	3.5178	-1.3093	3.0635	3.5419	-1.3473	2.2691	3.0619	-1.9841	3.5885	3.4165	-1.1043	2.9919	3.2346	-1.9531	2.3743	3.5169	-1.2680	2.7754	3.2466	-1.7589	3.0119	3.2754	-0.1275	3.2950	3.1988	-1.7194	3.6937	3.2241	-1.9819	2.8095	3.2809	-0.7838	2.6675	3.2812	-0.6718	2.8923	3.1927	-2.0669	3.0222	3.1897	-1.7771	3.0945	3.3949	-1.6086	3.2163	3.2619	-1.2954	2.9302	3.3255	-1.2449	3.2662	3.5768	-1.9970	-0.8369	-0.6039	-1.9652	2.8026	2.8955	-1.4612	2.9463	3.4053	-2.5818	1.9284	2.7524	-2.4631	1.8874	2.9153	-1.3216	2.8769	3.0189	-1.2471	2.5241	2.6138	-2.2311	2.7702	2.8538	-2.2017	2.2951	2.6045	-0.5528	2.8987	2.9810	-2.2895	2.8211	3.0775	-2.1895	2.7217	1.7265	-2.0816	2.8013	3.1221	-2.1429	2.4605	2.5030	-1.9639	2.2486	2.7013	-1.9274	1.0422	-0.7498	-1.9035	2.3478	2.3586	-2.3610	3.0410	2.8257	-2.5265	2.7855	3.8480	-1.6579	3.1482	3.1679	-2.0411	1.8650	3.1591	-1.9737	3.0107	3.0623	-1.3223	2.9347	2.7583	-2.0297	2.9128	3.0742	-3.0702	2.4183	3.0663	-1.3156	3.3262	3.4960	-1.2148	-0.4458	1.8798	-0.1492	-1.1095	-0.5583	-1.7083	-2.1790	-1.1841	-1.9556	-2.1032	-0.5621	-1.5184	-1.3111	-0.6154	-1.5159	-1.5417	-1.4953	-2.0025	-1.9011	-0.9607	-0.5358	-1.6437	-0.5375	-1.7508	-2.5469	-0.8654	-1.4190	-1.6007	-0.8260	-0.1764	-1.9431	-1.4944	-1.8176	-2.3283	-1.5955	-0.7571	0.1400	-0.2151	-1.1727	-0.8025	-1.0495	-1.1761	-1.0676	-1.5593	-1.8471	-1.5994	-1.4484	-1.4820	-1.0437	-1.3754	-1.3668	-1.5302	-1.4832	-1.3661	-1.7320	-1.4610	-1.8693	-1.7634	-1.3780	-1.7213	-1.5352	-1.3444	-0.4772	-1.2184	-0.4196	-1.6784	-1.6238	-1.4959	-1.3339	-1.2980	-1.1827	-1.6697	-1.9303	-1.6884	-1.4086	-1.9018	-0.7220	-2.7005	-2.1768	-2.3075	-0.9782	-1.6248	-0.5835	-0.4978	-1.6712	-0.9140	-0.2852	-1.3026	-1.1488	-0.8737	-2.0448	-1.7031	-0.6961	-1.6468	-1.0320	-0.8333	-1.3818	-1.2725	-0.5166	-0.9535	-1.0399	-1.0413	-0.7692	-1.0583	-2.0584	-1.6628	-1.6688	-0.7111	-1.3134	-0.9284	-1.9559	-2.0189	-2.1266	-1.9443	-1.9086	-1.9995	-2.0224	-1.7220	-1.3211	-1.8712	-1.7267	-2.3397	-0.4658	-0.9689	-1.3593	-3	-2.2163	-1.3354	-2.3116	-1.7096	-1.2986	-1.7588	-1.5618	-0.6552	-2.0315	-1.9611	-1.4426	-2.0465	-2.1887	-1.5647	-0.8320	-1.1726	-1.7750	-1.6773	-2.0666	-1.9913	-1.9764	-2.3119	-2.2084
HPPA-sulfate		2.0651	2.3132	2.5676	-1.1456	-0.4178	1.5433	-1.7007	2.1307	-0.5713	0.5741	0.0648	0.8239	-0.5822	2.2230	2.4649	0.1716	2.8798	1.8610	0.4266	-1.7016	1.8244	0.6662	0.7603	2.5831	0.8582	2.9497	1.5744	1.3682	1.0901	3.3653	-0.2536	2.0497	2.4009	1.1297	2.9146	2.0025	0.0104	1.8687	3.1582	0.5230	0.2346	3.2050	1.0477	0.6800	3.7536	-1.0383	-0.5132	-0.3268	-1.5216	-0.1717	2.3571	-2.1253	-1.1392	-0.8231	0.2197	2.3779	-0.0097	-0.2791	-0.0196	-0.8437	-0.4933	-1.1189	0.8262	-0.6095	1.9950	-0.0459	-2.1459	0.2853	0.9539	-0.3463	1.6006	0.8880	-0.5939	-0.6010	-0.3962	-0.4271	0.8737	0.1021	0.3740	1.7130	1.8715	0.6846	-1.0896	1.0247	2.0451	0.0545	1.0226	-2.0281	0.0085	1.3360	-2.9787	-1.0525	-1.5429	-0.2234	-0.4901	1.8527	0.9279	-0.5486	1.8424	-1.4141	-2.8690	-1.0149	-1.4355	-0.0730	-0.1022	-0.8584	0.5664	-0.1006	-0.8237	1.0381	2.0050	-1.8688	-1.0996	-1.0688	-1.5111	-0.6036	-0.4760	-2.1032	-1.5785	0.2079	-0.6275	0.3860	-0.2784	-1.6016	0.1946	-0.0153	-0.2267	0.3671	1.1395	0.9332	-0.0572	0.6355	-0.4522	1.8296	1.6329	0.4518	1.5651	1.4257	0.7492	1.1979	1.7778	-0.1642	-0.5104	0.5752	-1.6138	-0.7521	1.2344	0.5696	1.0462	-0.2076	-1.2654	0.4538	2.4002	0.4880	-1.6228	0.0432	0.7517	0.1661	2.1526	0.9730	1.3550	0.6784	-1.3115	0.7775	0.2385	-0.4425	-0.2878	1.0262	0.8490	1.3951	1.6529	1.2295	1.4557	0.7959	-1.2394	1.5837	0.7672	-1.4221	0.1015	0.4630	-0.9596	-1.6139	0.7969	0.1924	-0.6332	1.7655	1.5472	1.5304	1.8272	1.0635	1.1369	0.5176	0.0344	0.4028	1.5032	0.4465	0.0448	-0.7632	0.3975	1.2174	0.7974	0.6803	1.6547	0.3791	-0.5112	-0.1704	0.4187	-2.5088	-1.8195	-0.2155	-0.2199	-0.2740	0.2506	0.7721	-0.7582	-0.6397	-0.7137	0.1895	0.0267	-0.8720	-1.0264	-0.1299	-0.2995	-2.3192	-0.2804	1.1105	-0.2868	-0.0232	-0.4544	0.3688	0.8087	-2.4922	-2.1395	-0.6079	0.6403	0.8746	-0.7983	-0.9973	-0.4418	-0.8699	-1.3212	-0.3777	-1.2277	-1.7794	0.2679	-0.5822	0.6463	0.2396	1.0361	0.6315	-0.7993	-0.7663	-0.8110	-0.5067	1.0729	-1.0983	-0.4114	-0.1142	-1.7309	-2.1271	-1.8452	-1.7864	-2.8300	-0.9849	-0.4621	-1.1890	-0.0540	-2.6211	-0.5644	-0.7562	-2.2030	-2.7216	-0.7323	-2.2848	-1.6888	-0.9466	-1.2437	-1.6949	-0.6166	-2.1613	-1.3105	-1.6114	-0.5799	-0.2638	-0.4488	-3.1668	-0.1878	-0.2877	-2.5212	0.5566	1.2898	0.9857	0.5370	0.8534	0.0297	-0.7409	0.7439	-1.7854	-1.6322	-0.6851	-1.3301	-0.6998	-1.4699	0.9881	1.7442	0.9452	-0.1862	0.0600	-0.4613
N-Acetyl-tyrosine	N-Acetyltyrosine	0.0330	2.7337	2.8950	0.3003	2.2143	-0.0874	-0.2243	1.7194	2.0241	-0.3271	2.2687	2.7753	0.1121	1.9537	1.8197	-1.9198	1.5451	0.9652	1.0394	3.4085	4.6850	0.5840	2.2992	3.3653	-0.1068	3.2101	2.0013	-0.0112	4.3144	3.3524	-0.6258	2.3845	2.2473	-0.3245	1.7029	2.3784	-0.9969	2.4161	2.2118	-0.5233	0.7818	1.1291	-1.0700	1.8505	2.7181	-1.0134	0.9568	1.3180	-1.2097	1.1036	1.7073	-0.1944	1.4797	1.2939	-1.0982	2.2783	1.2198	-1.4365	0.3460	1.6318	-0.1660	0.5356	2.1444	-0.5411	1.5590	1.2531	-1.3999	2.3268	2.6962	-1.2597	2.2127	2.0471	-0.1987	2.7394	3.0524	-0.6657	1.8028	2.6423	0.0479	2.3940	2.7664	-1.4437	-2.1214	-0.7811	-0.6797	2.0540	2.0402	-1.8805	1.1516	1.5652	-2.6159	1.1576	1.6694	-1.0164	2.4884	1.8930	-1.5690	1.6262	2.0062	-1.7486	-0.1780	0.7078	-1.0158	1.9811	1.9965	-1.1446	1.5667	2.1289	-1.5911	1.2144	0.8711	-1.8317	0.7950	1.6150	-2.2079	0.5733	-1.4534	-1.5428	2.2196	3.1110	0.0042	1.6811	2.0256	-1.2159	0.7568	1.0794	-0.2503	0.7148	-0.1530	-0.6582	2.9358	2.5913	-0.8538	2.2755	2.1535	-1.5997	0.3643	2.9146	-0.8171	1.9543	2.1141	-1.7205	-1.5267	1.8440	-1.6890	1.5398	2.0238	0.0160	2.7172	2.1738	-2.0242	0.3673	0.9055	-1.3220	1.2511	2.0135	-0.3438	2.7029	3.1911	-0.6189	-0.7708	0.2336	-1.0326	-1.2752	-0.8148	-0.2758	-0.8309	-0.3258	-1.3014	-1.4792	-0.0671	-1.9906	-1.1313	-0.3748	-0.9404	-0.0519	-1.0408	-0.6232	-0.6724	0.6102	-1.3580	-2.4178	-0.4834	-0.3437	-0.5810	0.7382	-0.6824	-0.4995	0.2603	-0.3249	-0.9721	-0.0680	-1.3452	-1.4372	-0.8580	-1.4064	-1.4875	-0.9756	-0.2162	-0.6593	-0.4414	0.9638	0.0077	0.5331	-1.8015	-1.5444	-1.2046	-0.4692	-0.3944	-0.1020	0	-0.3806	-0.0162	-0.3413	-0.8174	-0.0704	-0.8393	-1.6767	-0.9971	-1.1353	-1.0555	-0.8477	0.3002	-1.1935	0.1298	-0.8432	-1.0738	-0.7933	-0.6078	-0.6421	-0.4564	-0.9969	-1.5228	-1.2663	-0.5973	-1.0024	-0.6253	-1.5921	-1.4017	-1.4058	-0.7286	-1.0527	0.6539	-1.5160	-1.6285	-1.4651	0.6320	-0.1134	-0.4858	-0.1220	0.0536	-0.4330	-1.0632	-1.2374	-0.6395	-1.4333	-2.4433	-1.9207	-1.2523	-1.3687	-0.4983	-0.0880	-0.6075	0.0577	-1.4623	-0.6804	-0.6684	-0.2160	-0.7204	-0.2567	-1.1859	-1.0599	-1.5662	-1.2156	-0.9443	-0.9402	-1.5592	-1.3904	-0.8179	-1.8065	-1.8091	-2.4243	-0.8035	-0.7093	-1.1571	-2.3190	-1.2890	-0.7240	-1.7012	-1.5843	-0.7011	-0.5833	0.3234	0.5208	-0.5112	-0.4558	0.7568	-1.5708	-1.4185	-0.7102	-1.0851	-1.4811	-1.1016	-0.4324	-1.2140	-1.1389	-1.1407	-1.9472	-1.8698
O-Methyl-phenylalanine		-0.3229	2.7384	2.6668	0.8853	2.2233	-0.1764	0.2778	1.5845	1.9442	-0.3066	2.2991	2.3839	0.2069	1.9068	1.6339	-3.1950	1.5084	0.7073	0.8172	3.5616	4.5967	0.5047	2.0852	3.1511	0.9865	3.0754	2.0214	-0.2749	4.0066	3.0288	-1.1572	2.0254	2.0512	0.3629	1.5386	2.0191	-1.8840	2.3811	2.1265	1.2146	1.1149	1.2797	-1.8717	1.5375	2.6095	-0.7854	0.9147	1.3369	-1.1346	1.1168	1.7998	0.5135	1.5204	1.6369	0.5675	2.5932	0.9708	-2.1029	-0.0146	1.9627	0.4416	0.6795	1.9820	-0.2975	1.4552	1.3971	-1.5331	2.0820	2.3687	0.2070	2.0219	1.8469	-0.1154	2.7883	3.2785	0.4621	1.7037	2.8833	0.9488	2.2175	2.4430	-1.8041	-3.5098	-1.4164	0.2315	2.1689	1.8179	-3.4647	1.1932	1.3361	-3.8532	0.9591	1.6395	-1.5888	2.5024	1.7962	-1.7285	1.7045	1.8026	-3.8822	-0.0655	0.5767	-1.2413	1.7619	1.7704	-0.8616	1.2715	2.0783	-2.0978	1.0805	0.6249	-3.1152	0.9467	1.5173	-0.5602	0.8487	-0.1649	-3.5010	2.1399	2.7828	-0.2680	1.3758	1.9050	-1.0266	0.6811	0.5760	0.1806	0.6742	-0.5050	-0.1804	2.9183	2.2757	-0.3995	2.3496	2.0357	0.0228	0.3037	2.7017	-1.7687	1.9534	2.3320	-0.3738	-0.1640	1.9695	-1.4197	1.5344	1.7940	-0.1796	2.8516	2.2054	-3.5272	-0.2646	0.7532	-2.6093	1.3461	1.7689	-1.2816	2.6588	2.9579	0.1220	-0.4959	0.5552	-0.3075	-1.6424	-0.6263	-0.5282	-0.9439	-0.6654	-2.1680	-3.3021	-0.2111	-0.7180	1.4828	0.9847	-0.5895	-0.5229	-3.2502	-1.4744	0.0339	0.5778	-0.3093	-1.2943	-0.9656	-1.0656	-1.7585	0.0074	-0.7692	0.5824	-1.6516	-0.7195	-1.0476	0.7523	-0.1887	-1.3563	-0.3316	0.1779	-0.1647	-1.0581	-0.0984	0.9310	-0.0382	0.5760	-1.9060	-0.2061	-2.0937	-0.9094	0.7092	-1.0157	-1.2461	-1.2126	0.5889	0.1962	0.4679	0.0854	-0.3557	0.2910	-1.3616	-1.0342	-1.2691	-0.2093	0.2360	0.4180	1.2913	-1.0420	1.1379	-1.3218	-1.6469	-0.7662	0.4866	-0.4330	-0.5722	-0.8297	-1.4906	-3.6625	0.8288	-0.9311	-0.4618	-0.5562	-0.4724	-0.8557	-1.3258	-1.6215	0.5439	-3.7195	-2.5151	-0.5577	0.5734	-0.6592	-0.7537	-0.3443	0.5813	-0.3375	-3.4647	-1.4689	-2.0439	-0.3027	-0.6484	-1.1416	-2.0647	-1.4602	0.1295	-0.4452	-1.7770	-0.2358	-1.0977	-0.6116	-1.3433	-0.3341	-2.2834	-0.1502	-1.7939	-2.5778	-2.8093	-3.5186	-3.2908	-0.5476	-3.4460	-1.8989	-0.3925	-1.2196	-0.9299	-0.3746	-1.6481	-0.8410	-1.0476	-2.0805	-1.2524	-0.2818	-1.2113	-2.0810	-3.4460	0.0335	0.4400	0.9758	-0.7304	-0.2797	0.7705	-0.9700	-1.5265	-1.6070	-1.3588	-0.4050	-1.1828	-1.4620	-1.0918	-2.1744	0.6542	-3.4830	-0.1154
Phenylalanine N-acetylcysteine		0.1747	2.7859	3.1624	-0.4237	2.1397	-0.1341	-0.4600	2.0737	2.5638	-0.6411	1.8536	1.7635	-0.5914	2.5035	2.2841	-0.8633	2.4733	2.4422	-0.3113	2.5978	3.0140	-0.5552	2.0401	2.9830	-0.2081	3.1032	2.8250	-0.7276	2.9642	2.5468	-0.5211	2.0978	2.4936	-0.7219	1.6057	2.2928	-0.8811	2.6468	2.2989	-0.2158	1.9482	1.8120	-0.2532	1.7791	2.9014	-1.3833	2.5230	3.0820	-2.1203	2.4154	2.2294	-1.4005	2.2842	2.1987	-0.9212	2.7234	2.2405	-2.2594	1.8788	2.5063	-0.7545	1.9176	2.3283	-1.6791	1.6537	2.4303	-2.7684	2.1374	2.1724	-0.9007	2.0135	2.6693	-1.8193	2.1463	2.3183	-0.7234	1.8823	2.6415	-0.2949	2.2735	2.7116	-1.0500	-1.7300	-0.6001	-0.2597	2.0709	1.9823	-2.1564	2.1149	2.6254	-2.5546	1.6148	2.0023	-1.2835	2.1219	2.3427	-2.6192	2.0472	1.8900	-1.8656	1.8277	1.7474	-1.8261	1.9082	1.8671	-1.5571	2.0738	2.5370	-2.6075	1.9249	1.8792	-2.0271	2.1055	2.2723	-2.1059	1.8007	0.0108	-2.0024	2.2757	2.2995	-1.3478	1.4002	1.4393	-2.8356	2.0394	2.5657	-0.8008	0.0002	-0.7904	-1.6079	2.3209	2.0026	-1.3421	2.0334	1.9178	-1.2778	1.6188	3.2566	-1.2699	2.2805	2.4717	-1.1183	0.1776	2.8775	-2.3712	2.1387	2.4499	-1.4046	2.1819	2.1273	-0.8077	2.1670	2.3685	-1.1053	1.8035	1.9314	-0.1641	2.4666	2.7633	-0.2133	-0.2927	0.8190	-0.7952	-0.5814	0.2373	-1.5198	-1.2720	-0.1359	-0.4764	-0.5436	0.2088	-0.1815	0.7432	0.9831	-0.4454	-0.0582	-0.1510	-2.2396	-0.1561	0.4076	-1.6530	-1.4413	-0.5815	-0.7350	-1.3442	0.8907	-0.7647	0.0405	0.1546	-0.1086	0.0916	0.4784	-0.4380	-0.8579	-0.0633	-1.3312	-0.9225	-1.1467	-0.5049	-0.2653	-0.9465	-0.4900	-0.2516	-0.9766	-1.0069	-1.2588	-0.2160	-1.2958	-0.9878	-1.4552	-0.8403	-0.8189	-0.7398	-1.0983	-1.0983	-1.3296	-2.8235	-0.5284	-0.6477	-1.1406	-0.7698	-0.1914	-1.2143	-1.3239	-0.1549	-0.9521	-1.0401	-0.7371	-0.9974	-0.1265	-0.2963	-2.7536	-0.9468	-1.7942	-0.0856	-1.8476	-0.9741	-3.7861	-0.4655	-1.3411	-2.5628	-0.7123	-0.2187	-2.0469	-1.0874	-0.2429	-1.3745	-2.2983	-1.0102	-1.1174	-0.0073	-0.2996	-2.2027	-0.1820	-0.7224	-1.9721	-0.4842	-0.8437	-1.0781	-1.7739	-0.9697	-2.8605	-2.1194	-1.8705	-1.9435	-2.1971	-1.4949	-2.2534	-1.7215	-1.1986	-2.2566	-2.2669	-1.7377	-1.0211	-1.1594	-1.9814	-1.8287	-0.8188	0.5098	-1.8267	-1.0108	-1.1349	-1.1845	-0.9864	-1.3844	-2.5709	-1.4382	1.0266	-2.6860	-0.9629	-0.6599	-0.0743	0.4246	1.0098	-1.0355	-1.0159	-0.1829	-1.6910	-0.5217	-0.0516	-1.5847	-0.7912	-1.8287	-1.1173	-0.2728	-0.9115	-0.0794	-1.8441	-0.5067
Phenyllactic acid	Phenyllactic acid	0.1979	2.6584	2.5658	0.0107	1.9593	-0.3166	-0.1873	2.5100	2.7774	-0.8175	1.3675	1.8626	-0.6841	2.3236	2.0676	-0.5399	2.1427	1.1483	0.1251	1.3268	3.3330	-0.1463	0.7651	2.3876	0.3823	3.5254	2.4140	0.5002	3.6160	3.2667	-0.5374	2.5042	2.6666	-0.4179	1.5728	2.3500	-1.3597	2.3683	2.2727	-0.1411	1.9197	2.3711	-0.1925	1.5968	3.0459	-1.0667	1.1187	1.9822	-1.7802	1.0611	2.0182	-0.2619	1.8312	1.6338	-0.3278	2.4615	1.2761	-1.2818	0.7568	2.0346	-1.1196	0.9148	2.0884	-1.7592	1.9569	1.6951	-1.1870	1.5685	2.0820	-1.3781	1.3895	1.2714	-1.5517	2.0577	2.4163	-0.5602	2.3878	2.4089	-0.0562	2.1804	2.7772	-0.2697	-0.8254	-0.2088	0.3822	1.6872	1.5449	-0.9595	0.4843	1.1422	-2.4862	1.8533	0.9505	-1.9428	0.2768	1.0567	-2.0740	0.8289	1.6003	-1.8284	0.2945	0.8057	-1.5668	1.5502	1.4258	-1.1404	1.1754	1.5739	-1.5573	1.6794	1.0190	-1.4698	1.2006	1.6843	-1.3668	1.1200	-0.9619	-0.9280	1.6874	2.5265	-1.1032	1.0408	0.9048	-1.9314	0.7421	0.9822	-0.2520	-0.1536	-0.8213	-0.5814	0.9053	0.7903	-0.1591	2.1453	2.0662	-0.9573	0.7127	3.1910	-0.3069	2.4121	2.7578	-0.5741	-0.9740	2.2615	-1.3157	1.4870	2.0613	-1.5793	1.5696	0.8925	-1.3735	1.1241	1.9962	-0.7194	0.3454	1.7081	0.0551	1.6321	2.5642	0.0692	0.1423	-0.1735	-0.7762	-0.4220	0.2346	-1.4062	-0.7748	-0.0847	-0.4435	-0.8581	-0.1302	0.0309	0.7891	1.0846	0.0217	0.5439	-0.4961	-0.9942	-0.0281	0.6857	-0.8359	-1.5893	-0.2772	-0.2952	-1.1576	0.7710	-0.2753	-0.0537	0.3772	-0.4739	1.0188	1.1649	-0.3369	0.2321	-0.3590	-0.6805	-0.2316	-0.8069	0.3885	0.2739	0.2963	-0.0093	0.5791	-0.0916	-1.0650	-0.9875	-0.4405	-0.6727	-0.8063	-0.8485	-0.2873	-0.5285	-0.1815	-0.1799	-0.6649	-0.7650	-1.2841	-0.0586	-0.2500	-0.5271	-0.7042	-0.4940	-0.5743	-2.5081	-0.9755	-0.7047	-1.3430	-1.0720	-0.8468	-0.6778	-0.6310	-0.5269	-1.5293	-1.7348	-0.1019	-2.0505	-1.5869	-1.9590	-0.0637	-1.2580	-1.0939	-0.5443	0.4067	-1.7148	-1.7948	-0.8301	-1.5556	-1.9660	-1.7095	-0.9268	-0.2896	-0.9041	-0.9045	-0.8090	-0.1973	-1.2777	-0.6161	-1.5856	-1.3162	-1.6964	-1.0967	-1.6502	-1.7595	-1.2781	-1.7928	-1.0860	-1.0542	-1.6928	-1.7561	-0.8738	-1.5423	-1.7782	-1.3471	-0.7071	-1.3403	-1.3053	-1.7328	-1.3036	-0.2833	-1.2904	-0.8466	-1.6230	-0.0763	-0.1635	-0.6576	-2.8893	-1.9860	-0.0089	-1.1687	-1.1581	-0.0286	0.2978	0.8949	1.7147	-0.9686	-0.4345	0.4951	-2.0736	-2.5976	-1.3834	-0.9840	-0.1534	-1.2267	-1.0626	-0.6937	-1.4753	0.0541	-1.9259	-0.7218
Tyrosine	Tyrosine	-0.6240	1.9869	1.9875	0.3925	2.0320	-0.1769	0.2722	2.4235	2.9811	-0.1910	1.6052	1.4977	0.7469	2.8919	2.6286	-1.9816	0.9525	0.2650	0.2400	1.6323	3.0525	0.2182	1.0108	2.2473	-0.1692	2.6416	1.6173	0.2283	3.5354	3.2067	0.2266	2.5436	2.5791	-0.3820	0.7441	1.8951	-0.2012	3.5291	2.9278	0.0452	1.4626	1.9443	-1.5599	-0.0667	1.6202	-1.0193	-0.4299	1.4592	-1.2952	1.4650	1.9978	0.2171	1.9717	1.9204	0.0748	3.0923	1.6847	-1.4259	0.6125	1.3709	0.0811	1.1777	1.9266	-0.8548	1.3439	1.5600	-1.7346	0.6283	1.2302	-0.6018	1.2781	1.7019	-0.2535	2.3449	2.1963	0.0153	1.5773	2.1428	0.8550	1.5373	2.3299	-0.2762	-0.6378	-0.1104	-0.9864	1.4330	1.1077	-1.4773	0.3915	1.0155	-1.7801	0.8149	1.1235	-1.7716	0.6099	0.7083	-1.2917	1.2295	1.4683	-1.1759	0.7505	0.8682	-1.4238	1.4033	1.1680	-0.5633	1.3981	2.1028	-0.5073	1.5123	1.1009	-0.7364	0.9553	1.3363	-1.3163	1.3173	0.7441	-1.2786	1.2893	1.7731	-0.5207	0.4195	0.5841	-0.6127	0.9549	1.5863	-0.5206	0.3451	-0.5611	-0.6304	1.8737	0.9517	-0.8367	1.8094	1.5433	-1.1715	0.0352	2.3057	-0.3367	2.3374	2.5146	-0.0166	0.8922	3.4034	-1.1740	1.5081	1.6646	-0.6296	1.2974	0.7623	-0.8868	1.1277	1.5899	-1.2431	0.5598	0.9847	-1.5153	0.6672	0.9979	-0.1496	-0.0209	1.0334	-0.7881	-1.0777	-0.6767	-1.6178	-2.4394	-0.8769	-0.5875	-0.5394	0.6427	-1.5766	-0.6305	-0.0556	-0.1222	0.1838	-0.5282	-0.6016	-0.1540	0.4608	-1.3841	-2.0393	-0.7419	-1.3554	-2.1388	-0.1267	0.2835	0.8735	0.9022	-0.1881	-0.8518	0.0171	-0.4001	-0.6715	-0.2458	-0.8769	-0.6846	-0.5408	-0.2645	-0.2578	-0.6204	-0.4749	-0.7180	-1.0464	-1.1020	-0.9659	0.1858	-1.1197	-0.6034	-0.4262	0.3542	-0.1091	0.2459	-0.5621	-0.8507	-0.4352	-1.5560	-1.6662	-1.1900	-1.0235	-1.0417	-0.8884	0.3179	-0.7097	0.2896	-0.9898	-1.4007	-1.1639	-0.4047	-0.7696	-0.5006	-0.6074	-1.2629	-1.5333	-0.2315	-1.0501	-0.7832	-1.4932	-1.6548	-1.7947	-1.2198	-1.2639	-0.1842	-1.3647	-1.7541	-1.1868	0.6341	-0.2721	-0.0323	-0.3133	0.1779	-0.4493	-1.0502	-1.1673	-0.5564	-0.1035	-1.1849	-1.5906	-0.6599	-0.5178	-0.2916	-1.3783	-0.8589	-0.4199	-1.5580	-0.8423	-1.2611	-0.0200	-0.8152	0.2627	-0.5315	-1.1052	-1.2771	-1.0545	-1.1195	-0.6202	-1.2343	-0.8017	0.0029	-0.5145	-0.8826	-1.2385	-0.5044	-0.6014	-1.0179	-0.5112	-0.1036	0.6538	-0.9130	-1.2283	-0.6862	-0.2637	0.3464	1.1613	-1.8314	-1.4919	-0.9057	-1.1268	-1.0737	-0.1040	-0.8815	-0.8589	-0.8751	-0.6337	-1.2626	-1.5675	-0.8806	-1.7694	-1.4614
Tyrosine-sulfate	Sulfotyrosine	0.3006	1.7401	1.6474	1.0499	0.5849	0.0402	0.2178	1.3784	1.7253	-0.2949	-0.2492	0.1772	0.0197	1.6903	1.4063	-0.3331	1.0626	0.2763	0.7624	1.0295	2.6178	0.4548	-0.1770	1.3921	0.9518	2.6151	1.2194	0.7518	2.7708	2.0979	0.7085	1.3410	1.3094	-0.2780	-0.1802	0.5936	0.0333	2.0682	1.5286	0.4946	0.6918	0.8037	-0.4186	0.0961	1.9115	0.1542	0.4326	1.0697	-0.7500	0.5769	1.0657	0.5275	1.3211	1.1752	0.1439	1.7817	0.4154	-0.2070	-0.1470	0.9824	0.2912	0.0204	0.8557	-0.3307	0.4089	0.6824	-0.6915	0.3046	0.4494	0.1725	-0.2957	0.2779	-0.1175	0.9043	1.1305	0.1516	0.1985	1.6064	1.2208	0.7421	1.2289	-1.0488	-1.0879	-0.1997	-0.6904	0.2383	-0.2702	-0.9423	-0.0386	0.4331	-1.5157	-0.4371	-0.0198	-1.2133	-0.1175	0.4739	-0.9624	0.5409	0.5183	-1.5515	-0.5040	-0.4327	-0.8216	0.3307	0.1532	-0.3528	0.0763	0.6628	-0.6671	0.0254	-0.2855	-1.0429	0.0807	0.2749	-0.6294	0.5363	0.1804	0.4777	1.0717	1.5264	-0.2794	-0.6755	-0.5551	-0.7237	-0.2261	0.0341	-0.0647	0.1835	-0.0244	-0.5907	0.7370	-0.1660	-0.4420	0.7778	0.3873	-0.0619	-0.6787	2.0328	-0.5763	1.1994	1.4581	0.0822	-0.1351	1.5712	-0.7320	0.7751	0.8033	0.1900	0.8237	0.2192	-0.6746	-0.0327	0.2886	-0.4292	-0.5912	-0.0428	-0.2842	0.6596	1.0368	0.4443	0.1121	1.1640	0.0155	-0.5365	-0.1391	0.0548	-0.7361	1.5056	-0.2977	-0.0675	0.9007	-0.7347	0.0232	0.9378	0.8171	0.9692	0.7489	-0.3137	0.5666	1.0502	-0.7405	-1.1390	0.3786	0.2361	-0.5721	1.9189	-0.2699	0.7241	1.2294	-0.0578	-0.2285	0.5417	0.2864	-0.8106	0.1529	-0.0690	-0.3459	-0.1230	0.3661	0.5442	0.0775	0.4446	0.0499	0.1489	-1.2638	-0.7260	0.5450	-0.8881	-0.1367	-0.4079	0.2930	-0.1133	0.1712	-0.0780	-0.7309	-0.1599	-0.5135	-0.5877	-0.4298	-0.2750	-0.6163	-0.2104	0.5121	-0.4764	1.0045	0.6165	-0.2729	0.2302	-0.0448	-0.2507	0.1128	-0.0680	-0.4054	-1.0608	0.2113	-0.8533	-0.5682	-1.1120	-0.7066	-0.9712	-0.9010	-0.9997	0.4592	-0.8212	-0.7370	-0.2545	-0.0840	-1.2195	-0.2743	-0.4243	0.5192	-0.2322	-0.7699	-0.5435	0.0010	-1.0004	-0.8372	-1.1788	-0.7865	-0.7437	0.1245	-1.2203	-0.4958	-0.4501	-1.9854	-0.9788	-1.3386	-0.4014	-1.0724	0.1934	-0.7901	-1.3154	-1.4800	-0.7631	-0.8627	-0.4390	-0.9208	-0.2692	0.8433	-0.7352	-0.8243	-0.9661	0.0051	-0.0947	-0.3953	-0.8441	-0.4897	0.9584	-0.3289	-0.4817	-0.1582	0.0905	0.5579	1.3887	-0.7251	0.0537	0.2996	-0.4547	-0.0116	1.0725	-0.9368	-0.7710	-0.4552	0.4865	-0.1707	-0.2120	-0.2033	-1.0707	-0.7538