metabolite_name	sample_0096	sample_0054	sample_0011	sample_0058	sample_0039	sample_0188	sample_0112	sample_0016	sample_0093	sample_0090	sample_0095	sample_0020	sample_0160	sample_0132	sample_0056	sample_0027	sample_0074	sample_0180	sample_0191	sample_0249	sample_0222	sample_0162	sample_0103	sample_0121	sample_0123	sample_0131	sample_0109	sample_0002	sample_0053	sample_0133	sample_0120	sample_0060	sample_0210	sample_0035	sample_0186	sample_0237	sample_0036	sample_0182	sample_0087	sample_0204	sample_0173	sample_0110	sample_0105	sample_0040	sample_0267	sample_0059	sample_0099	sample_0243	sample_0141	sample_0158	sample_0055	sample_0129	sample_0264	sample_0172	sample_0079	sample_0015	sample_0190	sample_0259	sample_0235	sample_0253	sample_0224	sample_0018	sample_0252	sample_0209	sample_0034	sample_0233	sample_0164	sample_0219	sample_0077	sample_0052	sample_0231	sample_0098	sample_0094	sample_0168	sample_0051	sample_0281	sample_0006	sample_0101	sample_0276	sample_0025	sample_0117	sample_0189	sample_0215	sample_0062	sample_0146	sample_0068	sample_0218	sample_0265	sample_0140	sample_0032	sample_0044	sample_0275	sample_0211	sample_0196	sample_0244	sample_0149	sample_0205	sample_0195	sample_0067	sample_0278	sample_0085	sample_0257	sample_0203	sample_0100	sample_0066	sample_0005	sample_0250	sample_0107	sample_0088	sample_0200	sample_0274	sample_0184	sample_0251	sample_0084	sample_0248	sample_0152	sample_0124	sample_0115	sample_0206	sample_0028	sample_0228	sample_0037	sample_0236	sample_0022	sample_0193	sample_0202	sample_0134	sample_0135	sample_0262	sample_0010	sample_0041	sample_0076	sample_0239	sample_0148	sample_0225	sample_0150	sample_0030	sample_0017	sample_0106	sample_0089	sample_0192	sample_0268	sample_0217	sample_0170	sample_0050	sample_0207	sample_0001	sample_0147	sample_0125	sample_0234	sample_0063	sample_0214	sample_0029	sample_0057	sample_0102	sample_0197	sample_0213	sample_0223	sample_0163	sample_0155	sample_0048	sample_0221	sample_0081	sample_0198	sample_0246	sample_0065	sample_0245	sample_0247	sample_0279	sample_0082	sample_0277	sample_0003	sample_0075	sample_0130	sample_0216	sample_0229	sample_0226	sample_0126	sample_0008	sample_0174	sample_0021	sample_0227	sample_0071	sample_0260	sample_0156	sample_0159	sample_0145	sample_0179	sample_0031	sample_0078	sample_0122	sample_0047	sample_0194	sample_0043	sample_0064	sample_0072	sample_0108	sample_0230	sample_0165	sample_0183	sample_0083	sample_0023	sample_0169	sample_0061	sample_0116	sample_0092	sample_0258	sample_0142	sample_0171	sample_0181	sample_0012	sample_0080	sample_0185	sample_0046	sample_0114	sample_0176	sample_0004	sample_0097	sample_0208	sample_0161	sample_0009	sample_0263	sample_0033	sample_0143	sample_0137	sample_0139	sample_0177	sample_0119	sample_0266	sample_0144	sample_0175	sample_0261	sample_0118	sample_0151	sample_0153	sample_0212	sample_0111	sample_0240	sample_0104	sample_0007	sample_0073	sample_0201	sample_0272	sample_0271	sample_0232	sample_0178	sample_0038	sample_0167	sample_0187	sample_0024	sample_0220	sample_0238	sample_0042	sample_0241	sample_0136	sample_0026	sample_0157	sample_0019	sample_0166	sample_0013	sample_0069	sample_0113	sample_0199	sample_0256
dPAs n=0	8162.22136	10765.39532	6609.338181	11368.51094	7848.077714	7346.762358	6580.969448	3485.607634	3606.278935	9975.51622	10540.36895	10042.10369	13120.00106	5103.99711	4309.943235	4224.000556	10962.90432	5442.56554	6598.979337	5599.453385	5526.895599	5129.628272	665.9305288	8739.904042	5671.868675	5543.541549	5405.449034	2900.384643	8185.772264	8517.540922	723.6905695	15385.31976	9814.650146	28744.82537	4561.492292	5384.429607	12187.47857	2997.862266	9145.78523	6713.564308	3789.76485	9079.948491	9129.204194	7281.068832	6913.745091	11317.22067	7408.813558	13886.00772	3349.636797	9922.511139	6579.173486	10713.66042	4825.779785	2425.113608	14917.42916	5446.40772	3466.661078	8362.248195	6840.024915	5586.122329	14432.69233	6155.443251	5215.385664	6824.534885	5916.738296	8356.319787	9441.031849	4197.937188	9694.594188	766.5430522	12360.04077	8716.708694	11588.87613	4351.334939	7315.357252	11263.16024	2736.145765	8239.710891	6716.193362	14295.29533	15218.77546	3419.540797	9480.437969	8822.105025	11550.37946	10765.90548	9768.363725	8521.231849	5759.568381	11093.21395	11852.13196	7858.356169	4760.205982	14541.16147	14642.33083	2793.677244	4707.468759	6764.226564	12670.98501	5700.965973	13690.44351	7077.264621	6183.485002	6469.449159	6808.263217	6965.157523	9670.599952	6477.333117	5313.981218	4987.014211	6940.314097	5545.984977	5108.689409	8401.332423	17973.41364	4228.329503	11052.59317	5555.447861	7578.63722	4475.343288	3941.767672	10911.13583	6660.057268	8606.858968	5490.345962	2883.680104	6073.657296	9952.167529	8558.47586	8281.498608	5957.094122	14276.74135	9813.563042	8208.656129	8850.964749	2363.769405	7364.80669	459.0617643	19342.84707	8422.040594	2520.137567	7071.699818	8243.975703	514.3101871	14422.49834	6712.456872	7290.051214	634.1276376	5785.3174	4017.286105	8322.455456	5263.56787	10287.65355	6008.242425	7809.211303	8063.378199	8688.853241	4754.084185	4374.086348	8962.340455	6589.44743	4110.214438	1170.473138	12000.9413	8465.419524	10272.01957	6250.628578	8643.424422	7003.536729	6624.079018	5764.227789	7895.261527	12903.05704	7984.179239	12889.54785	12596.92476	8352.263554	6830.391284	12311.07601	3685.814493	12412.20785	6438.004582	7087.347316	4049.363508	3908.642772	10156.2809	4857.794763	2775.290332	598.4076654	18010.37799	4797.38829	8327.353426	11782.4208	5665.633499	9676.927586	6385.2518	960.0210035	5807.08876	7446.577827	6320.567958	19550.71138	6941.009011	6993.624418	6433.230315	6208.414681	7954.270054	9049.228261	4844.2083	4533.136663	7743.95969	5891.237401	25763.4096	8868.451757	5155.812776	12258.84427	3860.696899	3685.360154	17284.03325	5459.534515	7846.783445	5603.733929	5877.452163	7003.809082	3585.478536	4361.551297	5420.181581	4867.409123	1053.544808	4386.027368	8418.863003	3024.133472	5255.59542	13080.9191	5977.867054	7025.464734	8288.829088	9194.079766	7175.252131	11107.48364	4873.714599	6940.852309	7307.473988	9593.592948	7333.061142	6032.295774	411.5521881	5733.515981	5268.282282	5134.293355	7122.478698	8945.595118	4292.696602	8807.906347	9292.269605	14557.13653	7149.98865	7041.081416	5277.036033	3907.498833	5912.580255	13636.60419	9292.19585	18539.08401	3290.354667
mHPFLCA n=2	3931.458917	6322.318497	6200.471887	4106.063121	4758.884171	2266.074868	3445.368128	4477.471919	691.2117849	982.5857978	4592.291888	4838.834927	5086.896677	2566.341456	5074.426677	3343.473487	5649.40778	3489.758542	3506.413086	3275.112195	8874.78606	3351.814423	3580.125886	4401.376731	5388.070306	8156.724736	4457.850208	4426.72692	5942.47181	6534.514823	5191.533609	2396.002155	9233.31028	4677.473576	4419.628247	2896.632508	4222.114207	2773.344335	5694.633678	10658.90977	3595.597044	4121.112097	4616.395046	5048.489259	3285.091728	3291.096785	2950.165515	11208.55031	2140.208401	2318.60124	4737.047763	6857.554591	1905.333135	2268.860888	4805.212866	2726.618026	3530.425343	8563.094204	2346.503022	2160.925524	2448.257585	5265.395845	3949.23054	4537.433433	3279.636699	3919.431938	3670.583828	2006.449199	5643.886219	4367.460602	9518.805242	5175.699857	4600.07624	2580.871358	5036.131182	9995.459617	3596.036395	3635.554979	1944.692867	3455.307133	6093.940803	2734.410661	8816.489548	4603.812354	3023.508942	6302.685567	5892.659257	3572.421202	3893.957676	4287.301861	3656.968599	2692.385562	4164.759194	3798.391503	9675.435706	1975.313027	6939.248824	9520.352663	5107.151731	3423.385898	5486.327119	7276.443363	10378.01162	4170.821593	2643.263072	5650.700947	10157.25031	4399.921332	3725.013535	4528.287458	2199.723139	2713.401727	5672.216541	3365.775828	2982.994033	2081.982941	6159.539055	5750.052526	7039.039467	3271.774676	3651.96582	4450.240416	4741.720869	4442.452129	2352.606387	3597.502451	5544.076352	3491.432259	7327.117549	3738.238109	4299.074159	2405.974186	9008.451568	2738.785332	8713.352548	2581.944635	4023.843192	4393.359937	4982.572764	2436.513697	1271.294944	2071.817909	1695.733616	1381.21145	3150.119072	4606.262694	3113.982298	1581.761079	3465.16186	6312.544879	4973.616425	7743.946565	3481.744119	3547.667381	3789.196605	2306.771472	8081.702311	7727.669647	1702.902603	3295.963755	2840.97687	8285.380744	4629.059166	8320.221558	4056.910368	4131.340122	3399.545683	4660.041401	3066.10823	5606.132879	3082.982031	3717.688925	2930.568158	6065.446675	2699.956848	4033.608587	2780.611162	6585.393845	3302.255255	1889.081155	4591.866692	12003.38566	4979.189631	1711.055627	2889.566978	2250.61846	1962.403083	2422.902104	2811.818311	3323.688043	4082.803826	3984.675732	4310.368917	3186.626261	3245.215844	4140.352576	3550.830391	3528.913657	2323.722728	1441.106377	5594.644432	4177.587752	2613.167071	5219.063619	4369.636376	4958.436612	2575.231012	2813.338303	2436.144414	3496.467854	3702.594529	4884.983758	2442.651925	3785.147552	4593.930407	2938.480607	3266.688381	4020.004541	1816.185147	3853.44199	4231.451926	2384.196086	3937.272738	3443.718667	4848.254472	4141.844432	2571.707328	3788.633833	3163.532534	2123.116048	2874.613516	4376.803998	2623.624235	3556.906349	1014.078502	7550.407726	4838.338785	8311.816175	5396.704293	2561.066551	5040.131556	2603.615548	2631.672913	3024.95348	3323.947479	668.6962789	3270.209187	2763.684078	2168.353589	4342.272036	1754.161858	99.13854056	4054.833509	2023.571894	5873.973548	5127.80802	2951.173135	5507.664341	3054.458788	3713.480224	4621.71843	4855.460539	3767.404781	3034.19808
mOPFLCA n=2	2865.438954	2680.736694	2616.672542	2609.587638	2580.54973	2213.147912	2078.148094	1940.451496	1939.669628	1930.072743	1919.640719	1916.486232	1886.444864	1833.197203	1805.020157	1803.493512	1801.451404	1731.814032	1687.188274	1663.176198	1655.42959	1643.533114	1636.884665	1633.912103	1623.559925	1610.135062	1582.751167	1568.921434	1568.046073	1561.304939	1559.288314	1527.24109	1519.531536	1514.339083	1494.930154	1492.562619	1482.516319	1472.441806	1472.225436	1429.527412	1396.685172	1387.709196	1358.041677	1349.599184	1312.270208	1292.984611	1280.942654	1276.961529	1258.629653	1223.186078	1191.868116	1181.770179	1175.019428	1171.185737	1167.877714	1167.173588	1165.504949	1165.141282	1158.542126	1143.409035	1143.222481	1135.399857	1124.489179	1118.591629	1106.769711	1103.717495	1097.511927	1093.765816	1091.079396	1084.905873	1081.766086	1068.360084	1067.00489	1060.958189	1057.798411	1057.018907	1056.464807	1055.251042	1031.938674	1025.730213	984.7588409	983.2425767	970.3013469	968.2655774	967.2931587	954.3659211	926.8756281	926.1829287	918.1563216	907.9545607	904.0885385	887.3549003	885.5659152	865.7767039	856.8816852	854.9666326	850.2589988	846.9448965	842.361627	833.921217	822.6382411	822.0594197	816.9154707	808.5453426	806.8529603	804.3279324	803.4975237	788.9103424	775.1655599	751.3941152	747.8400109	729.0540138	728.029178	723.6030822	722.7438542	722.6602564	717.8887179	716.1045267	714.947376	688.6772566	687.3201214	686.8696341	680.8583996	664.2835577	657.122029	650.3402546	646.2670742	644.582485	640.7799709	639.1618589	637.0712432	635.8008457	630.8217204	629.8470462	629.8009562	627.6750912	626.4410906	624.5358266	623.9077676	617.222412	615.2919969	608.3657819	601.3535818	599.7445415	572.3412789	564.922851	562.6289301	556.7953652	538.6790255	535.2448198	534.9535161	530.9456371	519.5616759	518.48111	518.2720539	513.6031777	512.536614	511.5280837	510.5934009	510.0419705	503.4253458	497.0505302	489.1869434	448.5983137	447.6380873	441.981917	441.7035967	433.0006075	431.4179816	428.4191932	428.2966611	422.5905223	421.3624128	411.3916844	402.2236067	384.5202031	380.8312211	380.7821453	370.170974	369.2595318	366.6250477	364.6629048	363.9836905	359.2176999	345.8624284	334.5317494	334.1820543	334.0442528	332.1982323	331.8682437	330.4559115	326.0811211	323.7057923	323.142108	322.9389513	319.3861567	316.321864	312.5200873	309.9707488	309.5634279	309.5308864	305.5305481	302.4380459	295.239002	287.8559852	286.8067076	282.1085827	281.3486432	281.3049314	280.774084	277.7853163	274.6583266	269.4232467	265.3401885	265.1784648	261.0479831	255.6355617	250.3441902	240.2372117	236.2625894	225.8074472	220.1976751	216.042111	212.5358924	202.6975969	200.3947964	200.1156702	189.6281083	185.1581785	183.9733442	174.1824323	171.7591038	167.9437754	165.826238	163.9887155	154.0036393	145.9116626	135.51004	120.1461568	110.3736123	102.212547	96.88307378	96.28482643	85.46034149	85.44940477	85.38738642	82.24078592	76.07250473	66.6258659	56.18592679	48.98189628	47.17409448	35.23194518	29.87705111	24.32642488	22.42097693	19.15622478	17.47376138	15.62513243	9.002382191	0	0	0	0
n:2 FTOHs n=2	2408.589323	3538.668977	3158.346528	2170.854178	3442.661894	2563.734171	2590.018714	2819.864071	2566.064296	3642.470353	3138.855665	2750.967037	2753.299994	2391.087364	4078.805745	2259.659734	3591.510404	2140.856158	2286.176865	3242.476641	3696.108237	1841.927717	2632.089936	4306.654943	2954.630365	3673.519406	2860.462301	2267.110893	3413.33309	2737.452474	3674.699762	2966.003749	2694.749492	2865.267065	2847.018277	3227.003046	2411.045084	1775.299133	2702.419213	3896.531182	2359.196074	2468.570703	3633.991276	2962.276265	3600.149354	2904.525637	2359.900799	2345.865561	1675.020681	2711.314205	2739.609451	3126.883469	2011.527775	1500.140887	2926.347331	2484.249196	2322.647078	2442.874637	2299.92965	2241.195762	2414.263675	2926.999676	2814.127397	2675.044425	1928.85703	2946.629443	2039.46729	2706.50586	2851.604569	2279.587729	2855.131335	2845.213257	2438.268452	1583.128464	2734.305512	2754.395203	2267.249474	2631.368088	2292.510873	2008.638448	2556.187029	2602.463437	2985.15996	1986.187588	1997.407117	3519.538664	6434.764405	1896.840888	2185.709803	2184.617804	2172.392101	2236.018239	2759.84728	3160.810872	2469.195125	1873.834782	2103.411859	2092.183274	2263.226312	2146.828719	2367.305093	2123.557253	2743.182726	2929.416547	1905.603718	3091.699067	3187.321934	2850.097625	2528.628922	2715.803312	2207.443427	1626.892352	2647.578312	2094.062975	2829.375776	2004.061348	3338.463035	3330.210489	2230.644696	2191.715268	2734.820061	2556.036	2433.052803	2770.629807	2106.021142	2403.728921	2447.945007	2831.529029	2151.965541	1946.112651	2697.912207	3185.453301	2483.863773	2515.066247	2902.388411	2542.705238	2420.683085	2741.71782	2656.743918	2037.157014	2122.956642	2088.662241	2069.285099	1832.58729	2474.37166	2257.432958	1647.79391	1941.786905	2633.611241	1217.642352	2471.522557	2195.611804	2192.0197	2371.895791	2390.075849	2571.021258	2192.88325	2322.974464	1722.897421	2130.828166	1887.638687	3037.814827	3556.567174	2051.482462	2407.826494	2313.818199	1415.104648	3310.926743	3052.793916	3041.939168	3245.379976	2432.440486	2728.650255	3050.129575	2202.983408	4813.702136	2222.280602	3511.457091	2006.074742	1730.48277	2192.017478	2074.907223	2200.569581	1618.429178	1691.608395	2339.219914	1714.73404	1480.03577	1724.838595	2529.507381	2212.157406	2388.692165	2874.211132	2383.590609	2489.14207	2586.660783	3386.025028	2254.752604	1789.299037	1552.813033	2793.133041	2216.315386	1342.425981	2607.565793	2639.097987	2652.136149	2297.073253	1426.35997	1410.074918	2484.970116	2174.001046	2356.168344	2017.073333	1957.432024	2879.840732	1751.188671	1600.923022	2888.930742	2227.343173	2212.714136	2995.863838	2101.401723	2566.442774	1918.719289	2450.002257	2117.69006	1683.35474	2000.627934	2203.812561	1554.493257	1579.526681	3076.787581	2322.206439	1986.515951	2242.878351	2315.65481	2874.744537	2466.61939	2306.833488	2209.1521	2750.744107	2939.886747	2512.985641	2105.589613	2750.328998	1768.084049	2230.081291	1671.904832	1655.362644	2317.168316	2121.351926	2067.415908	3287.304877	1868.68525	2789.03701	2925.959245	1775.982924	3161.235379	1911.491095	2290.635055	2355.891304	3083.016194	2983.910491	2365.040588
BPA sulfate ?	839.045326	1076.116188	926.9005539	1511.113701	1017.596298	305.6211401	962.121825	796.6223893	917.1989639	1212.582832	965.4892126	745.3068259	823.0549301	845.4600681	1117.955241	246.7971187	587.6481594	308.4400753	662.0275481	844.7835054	701.2428945	412.9889476	445.1158291	1491.376546	1105.921489	1473.143175	984.902641	615.6516292	1150.995125	586.1876325	732.280007	1115.088272	685.7618631	903.315396	778.6296363	793.1415729	755.5169959	189.8334393	996.8538965	1181.542663	277.6849376	566.4962775	1110.654353	805.6261085	770.0158025	925.9471993	867.0877643	870.0159386	220.234578	1000.782232	816.1350386	1172.525377	828.4941629	154.2776066	1040.221758	428.8617203	593.1519517	973.6573131	748.4402857	505.0093649	1004.791856	855.4542709	1059.994854	993.1144984	643.4427597	539.2541194	464.6004279	734.7816637	745.9257466	752.1331292	1232.713414	1084.894542	875.8834121	462.124677	817.9837937	811.6318506	813.2597587	832.8358294	448.4271649	711.0018283	959.4830665	887.0351958	532.072356	931.1410771	487.9698618	1094.193802	1317.668042	533.8183493	614.845599	1217.901215	399.9377909	539.8138827	726.2150503	543.4971355	941.2429312	283.072563	683.1294925	453.3519892	861.3745106	504.4967253	793.5276916	900.7261766	502.0503985	823.652011	282.1108106	1216.831759	1066.863547	810.4530172	723.4519645	748.2783817	811.5892466	495.9604871	799.2065972	758.480589	799.8498229	503.4813079	676.8209442	1134.777418	647.268933	315.3413392	538.7185726	871.436008	698.1813916	487.0279528	485.8964208	574.0236402	470.2972348	794.34837	667.7224417	648.9414559	418.9092383	1045.278625	859.0697725	258.2199125	608.3313744	351.2924399	828.3182498	379.8341506	933.6190543	900.7133947	599.5418349	542.2848509	817.1594811	400.6413084	716.7015791	714.9664405	660.2122081	182.2983254	1198.034744	427.032695	1195.421675	523.7215705	883.1737617	613.1496647	458.5123092	730.4028504	899.9228994	707.9751614	451.2379625	562.4754412	366.1360323	1153.17802	1582.199478	513.9596866	970.2502872	1005.295063	322.7890902	1385.003598	826.730647	902.4875639	1101.237334	776.81924	1352.108352	1135.684758	1075.605345	1097.556985	845.6992485	603.2465685	555.7614959	579.5174369	738.6174182	475.9615663	1013.750297	572.526617	614.2929216	799.8091947	416.8029807	350.0438746	631.1849334	979.4273435	801.1888584	570.5008368	469.8188567	820.2802885	855.9177714	1075.225453	997.3228076	422.618522	644.5940232	473.1477216	1366.251526	632.3639351	368.3335708	786.8068639	786.4446275	1111.868081	695.4036202	488.8445788	420.2374259	571.4482574	364.5636597	862.1212474	713.2733838	687.3355068	456.4900036	445.8457335	502.4106178	1304.612403	406.2340949	322.4970133	455.3054236	590.1334838	854.1612141	367.4923919	940.0724519	792.1491157	423.2444326	1018.226373	458.7947619	363.7603382	432.0847777	936.0473999	694.7368837	345.5395562	625.7926319	569.4627991	1136.597193	756.4388351	1147.78471	651.9236341	871.60675	790.6386455	1082.890515	553.5039211	775.623828	227.9375028	669.1097583	396.8041885	502.8497767	274.5470159	755.3360948	514.3819053	930.2303179	570.1020358	1285.599211	367.4669919	839.9624653	467.8375366	467.8620196	250.0180832	1232.452355	988.9887669	705.9676858	847.6024285
n:2 FTSPrAs n=2	15088.05865	18589.33148	22838.5999	357.2866527	20926.60811	12998.03118	42770.0469	12846.57483	13319.12827	20847.4431	17949.74089	17674.31186	14722.09818	37895.06086	54570.49545	13248.15074	18694.4138	8053.586105	10046.00354	10728.97753	27974.58597	10380.62298	12840.65775	20565.04539	13605.82196	24461.67619	15569.14881	13514.09337	18192.5198	17315.07851	18297.51687	19339.57243	12561.43142	52939.85171	11049.08788	29664.33741	18964.24817	6176.016222	14013.34212	23100.35793	9969.646252	14567.23465	15689.47693	45511.76716	13356.92033	15342.75398	12508.01704	12926.41817	7689.368498	10213.3863	15066.62337	15781.43673	15109.47384	5292.806802	50334.80274	13540.81565	10933.7776	19992.39289	11959.35872	20982.95982	27805.8077	16909.37731	25605.36522	8790.985581	10796.39747	23272.1098	11794.38113	9601.164381	33820.11769	13273.61313	27604.07207	48892.0978	16102.20475	7931.395388	14803.44985	8666.962366	13344.73309	19051.34083	4985.610246	13478.25403	18681.64578	11312.91946	23402.37989	14384.40264	892.345183	15122.6461	23025.88586	7249.969503	9384.996459	1164.061079	40036.32783	7054.542965	8543.86514	25451.76785	10421.31055	4939.253999	6505.769942	11775.53005	17033.25972	7099.491283	12825.77829	7265.906397	9583.888347	15209.70361	12628.47002	24472.40738	14420.61762	14686.77416	34462.87615	21288.06739	19225.37325	7976.093216	11354.1786	14833.68392	30347.47259	10008.41715	19251.14254	23371.19996	18470.67396	12891.73915	20260.43635	14495.0469	6594.3164	15896.19642	9650.530983	20163.95563	12150.71161	20772.46186	6745.387337	12706.63765	16312.18453	43787.51934	27470.52966	7726.153337	31535.39834	11387.68915	14210.68212	16491.57679	14724.00437	15765.24625	9513.813345	19335.35312	23475.98135	6881.747528	15578.68638	13999.02717	13895.87474	5552.736986	12620.25505	12269.59647	10554.8444	8659.090991	11622.04804	38234.6999	12278.60632	8433.65776	18235.05624	20384.08964	8931.250516	14280.87231	7536.961542	11751.442	19972.57706	333.4338597	10967.56237	12738.84464	13794.92784	35478.67977	6980.091613	43053.31124	10565.89852	15170.35735	17765.76844	17252.52607	13996.82164	14975.80832	6066.651687	18107.65909	13605.19302	6653.9958	15635.98123	17478.6605	18005.13057	8029.565182	7602.52984	10320.96729	6295.114842	6627.029165	12281.17669	28773.03632	12902.75455	12778.63186	11896.64383	13709.6766	11201.82824	17951.5238	17688.28027	8752.403175	8778.329369	8386.036225	18495.20848	12511.43108	7416.887045	14291.52621	13547.37111	15661.68069	11327.66488	21586.89326	6311.774781	13906.08988	12691.4354	12031.81804	12258.49492	11689.50418	16491.08427	6238.726543	10088.90146	15303.10436	13020.49799	24923.62384	20076.00296	14107.12989	13164.4211	7004.864514	13641.87952	12823.28826	5848.229598	11978.52792	19788.16133	4475.506625	6277.967771	21712.33522	9018.858496	5705.443227	11435.2311	8486.75198	19872.63586	18821.30606	15141.13651	13608.60894	13918.23309	12224.99492	22103.0242	16578.37162	8279.773951	6352.688321	30282.70536	7154.887829	11224.69343	15257.37115	15960.05855	6144.187475	17691.79952	18247.37361	49491.93674	35034.51668	8174.363756	17083.53113	9236.947361	15875.44318	16136.46051	17092.16862	24351.13301	19126.92498
mHPFLCA n=4	0	0	0	0	0	0	916.6728414	0	0	1047.751989	0	0	0	269.2876433	0	0	0	394.4400991	92.37211546	0	842.1251168	337.1877424	2332.306485	218.8586962	0	0	465.7944396	0	0	0	2900.136491	0	0	0	0	39.51043563	0	0	0	72.70455996	0	0	0	0	2133.309772	1542.586018	2605.170389	0	226.2312049	28.93898969	0	0	0	0	0	0	8468.690407	191.0538552	0	108.5695116	0	0	0	0	0	0	0	0	1554.497357	55.50552492	5545.918242	0	283.0973027	2561.427227	0	0	0	1135.956895	188.5133091	0	293.174819	0	0	0	2011.418871	0	0	0	385.5859311	0	628.5576544	0	327.7641238	0	0	9.203699757	200.6579003	0	144.9118476	1263.514415	874.7875223	0	0	0	0	1920.953333	70.10660658	0	261.1235056	0	0	295.3013697	72.34996477	969.1271254	757.4841764	0	0	0	234.7398674	0	0	0	0	0	374.2373413	0	224.9706045	0	0	0	0	2308.677706	0	421.8999864	829.643235	2730.836002	0	0	1895.182036	173.053845	0	6693.422776	0	18.43671692	0	0	189.7315537	302.3684619	0	0	0	0	350.6236286	663.7001961	0	0	4452.166647	0	17.2634154	0	228.4777556	0	385.8008275	0	528.54947	607.0110994	0	496.888752	67.74301825	378.1243873	0	0	0	568.6402589	2328.081458	0	0	0	0	0	929.9241444	0	70.5977654	4445.207032	0	0	0	56.28208747	0	0	447.433	413.004024	0	0	0	0	0	0	500.5138533	0	82.75381539	0	4686.166827	0	2121.769678	355.2281053	0	264.0530602	33.32242658	0	65.2367581	0	628.5391513	949.5059033	0	32.34004545	42.80327486	0	0	0	513.0155444	0	104.9416755	159.9258702	2668.88126	0	303.3777492	0	0	253.6293953	131.2467346	0	705.2256411	371.2078541	47.98401265	0	454.9796541	649.2172728	0	1230.76393	0	104.7279784	0	0	0	486.7154451	214.8641651	58.94591584	0	220.0138686	8771.093682	0	52.29389638	452.9739781	0	1269.198902	0	574.3096116	255.5344606	0	616.4253912	0	0	0
qaPFSMb n=3	1130.324728	1072.129157	1053.132214	1322.201087	939.9381102	881.6508305	733.449258	646.5122551	816.0204373	1349.895981	954.3387313	1136.621326	935.9121346	659.6845712	870.5311813	728.3423088	1468.855136	641.1200182	491.748798	1032.300684	738.0175253	519.1090782	625.1812049	1778.798679	825.6885664	1211.938801	858.7833302	770.6815642	900.5734798	1325.987757	1214.32972	1375.59144	1135.746018	1110.5101	716.8871248	915.1756344	861.3810538	483.9927341	1225.573623	917.308481	462.7492024	1062.762726	991.6276927	1199.815484	907.4170003	1122.60432	643.7901213	808.0922535	378.1855555	893.3887977	565.0322417	990.2458428	252.9703408	377.0679441	1407.24443	903.3746291	630.8964082	1015.869423	1101.487194	869.4757682	898.1258138	899.9457233	680.3757487	1014.039574	884.3415563	685.5490885	696.8199827	908.8508392	1003.281294	1094.413925	753.4447536	1001.686806	830.1661017	537.5674512	899.9656372	1009.697782	1024.486372	955.2133965	765.1161271	840.7937228	1034.482629	735.9154445	906.512769	1005.887488	545.0879314	756.2880762	2090.377046	1010.086151	506.2976959	1145.536854	823.367558	580.6699985	1169.242613	773.6403952	941.5272252	392.4702925	847.3148599	952.5943712	1079.482677	809.1335115	945.1655394	840.6446127	1166.636126	916.6081807	853.144991	2097.368099	1072.853854	854.8123908	724.0231114	504.6863617	723.250694	544.7911906	1118.354558	883.8788421	796.7329895	618.815616	1236.981207	801.638579	610.3491095	704.782326	455.7829814	983.7382602	796.9010039	765.6652904	504.256309	1066.353167	1199.272179	902.9988744	806.679987	938.3669182	1038.020809	949.1168566	740.9267879	380.9984943	672.3834009	320.4796809	1014.956225	960.9556659	1048.821155	1486.188659	768.2488585	592.6902899	674.145817	524.0165364	1219.713578	1143.419712	929.3089453	340.9132784	986.891845	739.6140977	1135.212211	445.5387357	716.4702424	845.3749457	729.5706032	858.8418656	775.5282751	1309.833114	499.3686085	696.8814868	357.6435933	860.3953172	1340.45535	729.6764154	966.4894627	1059.300517	927.2880572	1116.072311	1170.42008	730.7075883	1006.806268	1105.408526	1128.815929	963.5432067	1174.710347	1460.175816	664.9533978	935.9170555	956.7207161	554.8420047	1074.988	838.0242765	1639.836818	614.6120163	498.2927501	886.3599726	326.5904614	419.4087214	612.5310421	1265.292731	726.8058933	502.6186599	840.4250564	556.4585655	1204.190395	1419.124359	747.3623697	965.0516221	508.194595	523.7069407	910.0196394	1011.073937	517.9395168	1258.342544	1013.598463	1047.830132	974.7470787	633.7056679	425.1947481	759.0541788	613.9624431	1148.980681	806.3114057	804.6963888	1053.412278	496.7111988	1016.883446	1298.550707	631.473004	634.939182	1383.049406	820.4261891	893.0992234	431.7815099	847.8272667	626.0038316	544.4667674	1299.078768	759.3191897	576.891053	450.9961422	1172.035425	854.1430511	460.9874344	556.7848045	629.0803403	1072.997985	1005.196908	1108.790971	745.1322331	1069.645887	710.8675527	871.5865945	970.8244914	659.6533446	569.0783965	595.9211022	399.5116619	418.7307968	869.8538606	843.1448862	652.3952377	1007.823512	903.2043514	837.8139588	1048.062772	469.3189586	1184.560625	366.6897704	934.0127166	888.5027389	828.497501	823.4674191	655.7819361
dPFAm n=7	6775.957473	8439.745766	10979.87254	6954.611691	8132.31686	5522.116388	5552.413478	7021.145328	6557.68463	8847.84793	8860.458042	8385.90295	6484.197509	4961.128272	9421.92073	5268.520486	9255.340777	3744.142155	4528.000238	8082.484228	6977.942145	3864.386293	5614.609101	11455.17721	6669.45642	9697.529311	7395.412102	5932.438795	6226.037648	8415.234111	6606.387564	9300.078723	6795.166624	6090.626447	6508.577261	7990.307467	6672.922121	3273.092265	7793.084022	6689.330908	4275.941874	6595.780247	9328.930681	8830.790178	9674.772944	7198.387919	5486.733872	7772.930195	3591.515171	7174.649515	5524.017171	6775.058554	4329.96396	2709.157252	9054.891362	6152.445085	4828.784775	7077.660987	5955.166077	4589.476525	5928.62168	8068.567876	6903.221886	7083.070387	4975.533854	6862.540455	5034.547097	5388.201318	7838.777393	5917.893761	7165.870237	9239.019852	4598.995372	3623.619786	7177.249024	7714.474776	6438.17472	5357.355261	5268.098711	6336.401975	7390.572369	5432.363832	5571.363859	5832.03622	3784.746671	7432.961831	15782.93627	6410.577613	4470.068048	7055.542951	6061.942918	6714.349031	8271.286467	5793.150816	6365.927939	2243.978361	5404.782756	7320.805414	7151.911711	6116.546626	6740.254862	4861.328176	7979.55669	7037.014134	4269.541533	10248.97615	7116.161223	7103.522942	5209.736387	6153.38859	6197.668692	3587.701761	7723.956689	5304.369337	5425.061049	4260.594532	7724.29401	6422.644737	4459.894667	5262.87315	5172.002771	7099.792291	6129.503074	6001.222671	4163.570944	6508.430386	5701.463734	7668.019738	5334.062134	6918.819449	6799.225296	6297.501805	6802.167819	3531.576796	5708.167883	3438.588625	7058.856261	7668.91191	6437.71685	6776.356933	4582.873592	4969.756967	4598.504125	3824.73726	7679.103354	6328.159504	6080.450334	2962.32843	6064.441864	5249.56059	6063.04459	6292.928095	5349.274428	5757.329319	6193.25276	6096.405346	5222.548215	6383.297859	3557.670135	4583.564081	3696.146835	5378.959023	8484.661601	8510.985387	6987.817152	5365.348198	5240.104675	8335.738971	8120.52487	6141.445832	8367.769927	6173.087268	7682.427574	7186.563029	6313.515122	10882.11374	4550.131991	8335.126738	5389.716491	3977.91457	7695.585394	5403.181587	10135.46164	3434.463065	4098.961017	4681.733276	2599.203488	3250.009171	4954.022945	9929.877527	4111.388282	4741.494006	5893.31431	4942.221803	7024.960586	7729.758373	8412.002094	6181.444661	4093.896211	3948.802775	6904.312364	6459.203654	2733.256722	8001.450255	7441.278593	6188.350259	6503.179338	3273.769439	2737.735161	5531.677219	6651.127288	6913.892756	5251.758215	4878.541404	7823.306048	3435.564321	5868.983274	6685.493514	3962.935405	5720.554554	8050.68901	4142.08255	7204.700567	4562.777324	4874.25715	4200.138792	3264.099118	5562.356851	6108.789275	2819.73323	3281.663379	7279.513444	6667.925658	2949.501128	4535.986463	5751.106989	7847.612465	5545.624126	7631.468471	5285.599034	6566.712679	6681.070475	8126.825177	4516.206988	5269.371447	3526.789152	4501.112148	3462.963138	3257.628397	7771.738471	3531.130545	4195.660404	7423.619466	4597.685233	7044.230911	8542.072997	4017.815867	9125.190835	4054.113409	6286.002934	9211.943999	7492.608441	6312.237533	5227.845573
PFOA adduct	4.440350108	3.329412774	3.984436706	5.834769866	3.352349981	1.347866573	7.993749732	2.589895996	6.151426877	6.647345595	5.367619793	3.372154575	2.179939897	6.981541704	1.784715807	3.973297571	2.399314643	4.750150514	2.239635692	6.419014023	4.226955099	2.3323992	5.965572791	5.893936661	2.416573857	3.424525289	9.807063697	1.592106377	4.879807691	7.261526381	12.35788878	3.809147887	5.006609252	7.499273444	1.048689186	5.321008812	2.900586141	2.150441646	8.119321481	8.561012114	0.722327662	8.222291857	3.950277978	2.004343364	7.02108736	7.012220972	3.862150642	4.14837728	1.20759761	3.619220386	3.15511297	4.489352173	2.671033788	3.712963909	4.778995361	2.604491382	2.927315884	6.777573273	4.564645355	4.24449259	3.076198991	5.564596787	2.18511101	3.154135645	3.377440582	5.477567232	6.150657728	4.083513832	11.23297211	1.714566032	1.529124651	3.059329573	3.28728918	3.401057123	6.110279236	3.421206525	3.652910121	3.616324873	1.927915845	2.063871641	7.311585342	5.693232733	5.741147007	2.720010417	2.924876018	2.307951656	18.33674823	1.76519013	2.585017797	6.084940417	2.9373511	4.794720585	1.228648947	10.68545016	5.266906856	1.575333086	3.794038398	2.169271935	3.721552146	3.105843506	6.575688924	4.067903416	2.491751203	2.717262948	1.584742606	9.383590435	4.468731817	3.138632146	4.390337338	2.990174493	3.158856296	3.546008292	2.36699725	9.559433518	5.276866026	3.124415662	4.589933773	6.580994593	6.019046192	4.613176012	1.05761764	2.8428181	2.839351805	5.155058897	2.46966833	2.847920304	10.33268192	4.19575586	0.932130315	4.453452296	3.924911731	9.561060814	4.596379479	1.084190533	5.398380197	0.330433145	3.256177509	2.104165733	6.367053524	4.003567357	2.147913834	2.298444181	1.465076494	1.148615991	5.572303079	4.879208317	5.706856335	3.138956345	14.1574874	1.833330755	5.695752236	1.615266574	3.642125765	2.968414817	2.563728144	5.331146522	6.597257336	9.545707636	1.429089285	2.325049954	1.185860203	5.519371587	4.91992394	1.466226008	5.583686138	4.051737717	3.184526842	2.909376838	3.511781843	2.917859993	4.298195869	3.386438017	2.96350773	14.45354951	6.233480179	5.844388996	2.788308603	2.920850429	3.809764819	1.651593924	5.446944827	1.57907831	3.325882092	8.488316995	1.173590729	1.276752091	2.521694581	2.637712638	3.510145887	1.223937176	6.079234345	6.604332275	3.667346845	5.800506133	1.02234523	4.207754636	6.295431559	2.051671062	4.367116175	2.767278566	7.776375877	5.824232363	1.694267835	6.320186177	4.026130678	5.961718649	2.708668603	1.32858251	2.087194965	8.590762232	2.373592129	2.384337114	1.69100723	3.092648482	6.628899018	0.624816294	1.65608635	4.392750952	2.685101055	1.787784477	7.762787782	0.986146835	10.59901375	1.876742862	70.54903966	1.679968063	1.02389719	6.770027686	0.981587193	0.876103513	1.934000621	2.088030121	3.980609861	1.736789303	6.271201905	2.452754789	2.391606855	4.287917962	4.785223578	8.850821346	4.214964988	4.039849591	6.278877503	3.469648796	5.08047896	2.318874752	6.338519774	1.736506899	1.368074956	6.026061269	3.199372012	4.182686836	4.673389533	12.45684338	9.473339332	7.051281582	4.920132974	3.137779755	2.961203798	1.443574569	1.249586923	3.657079268	4.444319009	2.444124503
LCA	5.782533294	14.25908291	8.686593445	10.49452518	7.075751365	8.356868983	11.25962017	8.402802905	6.784929375	7.554782045	11.73580376	9.329012224	8.204438404	10.56276697	11.11925733	9.784138858	6.671461732	9.196517248	6.59679052	12.67603162	6.235466858	16.54236338	11.60691832	6.941092918	37.11331435	7.431970576	6.950176316	5.201441934	7.904983733	9.348672991	11.04107209	9.791889903	8.86045247	8.85541011	5.926337826	7.716658018	7.846158215	7.341921918	10.35378844	12.96757287	11.65642989	7.940037905	7.576899001	7.769876406	12.86496895	11.97190133	16.25976031	7.551533288	6.863601639	7.880452686	6.729824019	6.205704458	9.135434226	9.962645671	8.879456219	11.24620436	8.176843243	10.32429297	12.82480978	8.034142537	7.391330405	5.898564747	12.77423881	8.841331259	11.72459538	7.599181348	9.43330393	9.42860826	8.803885989	11.31474585	10.73100995	6.143673323	12.69581274	5.969855205	10.6557945	11.21976521	7.403743065	7.124535156	8.261528774	9.436424046	10.88174215	7.997614625	7.767430038	5.482851868	8.631380034	7.495010678	12.54326874	10.35162194	6.234454421	12.44318462	7.28839516	11.00379021	7.532915362	15.85963761	8.707375081	7.406814334	7.107406075	9.866327249	6.807112216	12.99314619	6.27126306	8.438097861	6.928223128	7.10394174	9.670689259	12.43931399	20.3548036	6.66706166	8.389795765	7.984794006	8.696717967	23.05559347	6.31011399	6.122858061	8.593687307	9.05372635	9.746971597	6.095124613	9.145735067	6.589588247	9.159239769	6.736272432	9.462663206	7.82168012	9.501899415	11.0605944	9.792912131	10.50516615	11.04134847	6.731729956	7.08482236	6.259018836	8.695020726	8.176079629	7.743274316	16.32614522	8.559476333	9.152488345	6.702155903	10.50175154	12.70243092	9.962865164	8.417855973	14.07275881	15.54951595	7.420184824	8.612048843	8.006067231	9.885957121	9.515298568	10.42600758	24.20374644	26.75440625	9.702471705	10.36057557	10.37760215	8.457827159	10.83181962	8.198667929	8.940186241	17.42714845	7.220674301	5.019159588	9.222771338	6.333679225	9.784799751	7.541145813	8.232763119	17.16353185	6.497473496	7.382043666	10.40979777	10.46492665	7.490932593	8.273931409	7.222736819	7.415601902	6.621719491	6.928384066	9.769613485	11.57685982	10.47776375	6.543354581	9.708005639	11.02822809	8.567743306	10.22106797	9.233234402	9.306977039	6.193351294	6.169993378	9.665532826	10.37948853	33.07236063	9.488928283	9.77890819	9.074449764	8.457352348	6.462242363	8.871997003	8.68824616	15.04597921	9.063810883	9.850289924	8.889702015	10.60615428	6.636435094	9.802413803	10.31799726	9.887166794	7.643787816	7.59364808	13.14014393	8.614113915	7.303278158	8.568690554	12.10342198	10.48769056	7.947556836	6.970227892	23.72090178	10.58329115	5.766745486	9.255685844	4.739942666	6.857812561	6.428671266	6.716458989	8.150430997	9.400080326	8.827436829	13.55392165	7.040482911	57.79088769	8.798077722	11.37652767	5.577004255	6.27679358	11.7218402	7.58912462	10.50399114	7.327763926	9.038079473	6.473374003	7.687510241	8.072887986	9.845204257	7.954395748	8.107225764	6.074162464	12.92105971	15.94516174	8.797354338	7.932169662	15.43384073	8.0515628	12.6740791	9.76222432	7.338888578	11.09972595	4.963374493	6.369046519	6.143551305	6.702546096
OPFLCA_i n=4	1590.605816	1807.96742	2303.56676	473.5408852	1625.222286	1522.77924	1593.644033	1363.267556	1377.709041	2436.020205	1826.783062	1923.190394	1953.608437	1271.315283	1981.917945	1655.505894	2375.194425	1368.820243	1612.024672	1711.489947	1475.724795	1312.101373	1577.611105	2763.798951	1391.538791	1887.986754	1463.153293	1228.141036	2408.141096	1741.306671	2295.078377	2032.18613	1226.038244	2381.247357	1626.868808	1562.48272	2386.728298	1174.973234	1692.43416	2654.092882	1261.352214	1528.361393	2145.727255	1914.960796	1626.203438	2110.579878	1318.47923	1966.198434	769.3671515	1595.344709	1851.678544	1607.020221	1429.57443	744.0262533	1991.054057	1190.660025	1285.512237	1252.444001	1250.748823	1616.174804	1255.55531	2119.940223	1311.865653	1501.173751	1415.322568	1467.94208	1149.680078	1014.409626	1563.468354	1462.605469	1496.21332	1743.543874	1663.31636	818.6263853	1855.706051	1903.173153	1371.308429	1492.511406	1009.096156	1275.556448	1657.167841	1607.847547	1777.997745	1846.740374	268.1292384	1990.644404	2905.489013	1766.316738	1012.298853	449.7881898	1575.058731	2369.540935	1831.610409	2218.949616	2181.201206	914.5853368	1015.330501	2113.345656	1631.687619	1508.393615	2081.524086	1637.883648	1970.677078	1544.266792	1979.075873	2038.861024	1459.960421	1725.890101	1558.67735	2025.737392	1535.100295	955.6118157	1792.741304	1850.691665	1543.506414	1105.142931	1637.90506	1936.230972	1529.287216	1189.686817	1017.353875	2336.135507	1883.38845	1803.186089	1601.925277	1273.742181	1842.818554	1564.189421	1337.560524	1406.785548	1661.482466	1832.838116	1219.067346	1050.885525	1738.25018	906.2209375	1358.341793	1444.63467	1206.934551	1630.020191	983.171493	1788.850415	1030.055793	988.7536127	1737.989479	1888.57335	1232.605921	717.9663897	1233.526388	1064.445718	1543.600085	1438.800845	1062.243199	1752.902698	1408.444525	1933.973774	2103.830565	1565.896122	976.4484979	1140.038165	911.1072342	966.84237	2175.679769	489.1218147	1580.954926	1351.275893	997.622599	1847.402239	1606.123816	2100.552965	1737.915565	1436.418833	1588.100353	1608.160131	1723.417212	2094.356508	1061.30184	1677.330901	1646.909592	899.0263734	2031.141055	1192.109402	2202.330424	1624.679474	1136.277533	1517.211166	1012.108075	901.9876838	1337.667669	2028.621978	1263.498352	982.7344604	1487.032615	1527.780109	2210.94786	1689.5917	1667.83743	1310.059058	1327.317754	980.4662787	1668.826404	1736.319088	1045.885882	1858.749392	1599.568935	1376.996333	1476.097289	735.4337975	981.6451527	2334.19384	1239.373227	1433.391623	1198.342465	980.5010773	1710.54924	756.7500563	1303.976268	2151.28357	1430.278064	1406.481663	1706.243858	1256.301234	1447.334272	1396.131725	1592.704202	1214.896475	831.3421076	1941.223505	1575.520131	1159.443725	911.751165	2362.266182	1180.668069	892.0025368	1581.57764	1258.304849	1742.254502	1249.036418	1562.942452	1699.091377	1593.874126	1900.485471	1714.613243	1500.561272	1609.622471	1118.572368	1390.770874	859.6619942	1230.556052	1606.056113	1281.890317	1533.741804	1599.343274	1764.557857	1609.041226	1961.845983	1179.484699	1974.674785	1293.586056	1256.07348	1892.600894	1671.323355	1546.509905	1312.973194
HPFLSA n=6	881.0507134	957.2187138	1405.671453	77.88890123	867.5615859	721.1805108	689.9520806	640.2702119	632.475388	1159.126423	844.62913	1026.00269	863.8609981	582.5126912	1036.217576	876.8518726	1137.392245	692.1912685	770.0748635	913.7141608	725.9768374	617.865902	633.5890128	1234.299597	484.9695216	924.4064655	657.1457989	695.2525838	996.3728578	1050.001468	1129.520639	888.7300774	710.538745	1079.976591	528.2057679	816.6325615	1159.027762	531.1794814	996.4608202	774.1614807	586.6331887	869.4030483	901.1345461	686.4603345	815.3457274	1043.341991	547.2849575	816.5897051	339.638664	936.8056671	833.9385104	644.500205	650.3564544	339.5131809	737.7452459	599.7603828	523.9284344	605.3009707	545.8735667	823.6522846	638.4899276	1097.008478	757.2405582	708.3993488	607.0740196	688.265105	624.216308	557.6001554	806.4649594	693.353889	722.5789991	1018.67014	698.8292595	347.7269586	799.2542746	883.8778306	707.2549541	491.1208998	349.9612578	613.1212598	900.6902563	776.6126488	637.4061414	858.8188088	52.73387411	956.4912884	1293.363177	646.0776304	576.947706	155.7470957	610.0760259	898.2833124	869.4162272	644.7991942	730.3907492	457.4046919	521.0198227	811.4001517	718.9704164	596.3754456	1039.267962	670.314124	895.4612143	869.6119713	1024.129114	947.7187197	711.1397509	872.368743	840.8527966	764.9840766	627.8702043	475.827431	772.7432553	903.1291456	844.374216	435.9595619	719.458239	808.5113891	709.575034	598.3581523	460.4488908	1091.120967	795.1413449	978.2181303	849.6171022	679.7116055	880.3159019	696.5964617	598.303431	827.8804232	738.3175058	1039.832694	819.8752043	542.449871	848.0119948	439.9841678	654.3730351	797.313715	535.3753946	655.2658774	440.5026481	476.7730066	497.5715034	517.3387468	776.5707598	760.4866029	703.0891062	293.1913919	472.209998	585.2634839	641.6861978	686.2152085	495.2627912	792.3284544	690.727032	899.3150746	892.0722039	766.7377531	415.7168363	402.2309836	445.5537023	450.4893735	1018.427266	127.0424362	634.662592	655.8806991	514.8629637	817.6935348	833.8261288	1010.545394	780.4839388	642.0825556	800.0510066	792.8318922	863.3418498	1149.081776	514.2793393	710.2616496	790.830967	344.2287285	1031.911116	463.2222925	1162.691158	702.6253321	432.4252763	822.7990886	518.9223452	355.4767814	644.1595937	1043.443897	573.7754346	431.1275477	564.4502505	740.2364864	1059.17171	806.8710173	856.9632598	749.4897404	590.9116492	426.8265017	699.388191	913.9578203	464.7441134	958.3588386	805.2972617	752.8336376	662.5193411	438.7616088	376.3281484	1096.268281	599.2672192	700.3308951	583.1824762	444.9822444	709.2794894	338.0722613	627.6996293	925.6654882	639.1080264	633.992905	678.2372006	530.1833977	650.3160364	710.0568895	767.4916993	622.1154144	359.5344189	803.0816259	580.338191	599.4493949	415.6674583	1107.288263	507.3581453	438.0871171	885.9809076	534.5819948	810.8840542	596.3285401	935.2080717	897.2889652	707.5439164	780.5838734	714.7698953	692.8613687	769.9857919	447.9104637	629.9354257	415.6041129	610.4118345	977.1208006	600.6068036	676.2560682	713.6173856	727.3978471	904.2136897	754.1034281	514.6684882	799.7431112	542.9352674	535.429399	845.2669373	732.2186786	682.7096512	559.7982822
7-Ketolithocholic acid	236.9716851	899.2993573	231.4680245	643.4767852	368.7145115	303.2958783	359.8268606	323.1785172	321.9177349	233.1883866	743.7194127	1278.997682	229.1677311	216.4738777	732.4546217	531.6655093	305.8017937	915.6823092	149.4558003	1621.974481	0	1334.877641	388.2085934	1779.36679	7660.744421	233.6318675	895.848296	120.6841079	224.9129987	479.3510524	429.1553575	91.18289071	139.152781	584.1970313	238.4429372	0	574.3855799	302.7768417	442.8099648	2105.545958	308.2837198	614.9411528	32.95134654	422.8449923	2042.604252	1132.002561	610.6196161	537.5985816	410.5996018	230.5335997	436.7092987	667.5485213	116.2018432	129.3800002	244.8930414	705.3836868	162.0187784	567.3671257	1924.149175	191.5596655	262.6546415	48.55443505	272.7240196	462.4880445	403.5091235	926.4728198	387.7604261	1089.817165	367.8920261	549.9316839	1628.188072	508.3052165	204.0987247	124.3343132	426.0934478	122.7580938	249.5852952	315.8819869	902.6724238	402.5053494	1084.006752	686.3893943	504.3740813	244.5577123	396.8398663	1045.786926	2991.331023	116.823616	112.6021243	818.0723075	294.8024764	379.4264422	510.0512646	2044.723887	1273.025522	259.6475903	559.9995263	486.8901338	309.9002985	389.8944033	469.9971688	332.6551121	57.61894315	500.9505023	321.1465863	435.3382885	1594.813912	632.3496247	175.8872735	820.7670481	775.6094582	444.4449795	372.9144342	271.2119889	93.06973871	143.381114	388.8403652	395.8764684	239.769607	200.6805635	226.5443879	721.2479386	281.3604328	216.6768527	307.5873358	206.5579208	279.7224451	1342.616507	56.14403788	157.1955917	271.8040239	582.3075355	0	386.2542517	175.3505327	151.7729448	420.656688	443.4857037	355.6334067	346.5253443	586.3503139	628.3964269	207.2502744	324.9123653	555.2618092	351.3955199	450.4917863	50.31274104	566.6340408	210.6088327	318.5149161	3442.254996	177.2503488	296.1899158	276.5541865	169.6127526	432.9645877	902.4555308	199.2665955	526.7022516	106.1528146	487.7116988	293.2916291	734.2278506	202.244451	386.9218302	54.83574526	133.4696432	497.4466595	322.4608907	72.8446779	359.3323679	275.8650765	843.0052034	800.169962	362.869618	218.6184755	750.3297062	297.7560686	170.1850385	423.9132872	218.3857064	176.381858	269.7781169	202.08262	224.3172866	225.6381523	639.787541	424.0202545	476.5618352	842.1970318	614.8325586	410.6943112	2572.45895	35.1063571	377.645094	618.3948148	459.1100888	583.5585403	280.7021607	592.6331036	85.27560408	108.5471184	181.1697151	969.7973057	490.9072925	576.9254293	382.0901012	212.3535616	732.2923973	47.72529713	326.9850265	234.0530036	234.7089478	325.8289742	191.0902679	226.3067726	400.6325394	136.3214988	483.138606	915.8000517	207.492245	270.570706	177.8048681	528.6244041	1084.475878	117.351173	118.9488576	53.89414926	151.7636991	1595.051539	1062.835015	703.697994	190.9074221	151.9815774	341.5368642	491.5095742	1269.303387	516.4958308	338.6606529	361.2683833	209.6141569	242.4790333	61.6617844	184.2237876	179.3972207	540.7330857	458.9764642	93.3689871	20.5507456	1287.676811	450.0253936	365.509339	566.317652	312.6900787	599.0755326	481.146819	0	94.40731534	618.2328584	1908.115155	377.8512701	203.0220164	44.96341742
6-Ketolithocholic acid_389.2694068_4.33	318.035014	462.6983792	310.6486599	328.4725893	371.8592517	184.0930796	226.294498	433.7314992	254.2377771	312.957524	241.4458089	557.8900522	307.5614816	382.2749048	221.9205521	443.1793245	410.4105421	261.1852283	200.581675	2398.324987	0	642.357941	82.78814951	671.4314064	321.4992239	313.5527109	914.4926893	161.9677555	185.6085023	397.4813111	345.87291	272.8945766	37.6786503	568.6725395	320.0095524	0	351.552673	239.4982575	378.0094295	2105.545958	375.1659045	350.1659366	44.2233508	339.7068717	2042.604252	468.5351756	73.82292258	537.5985816	179.3210273	177.8325165	351.5455824	548.8782865	116.2018432	72.8892627	228.8161507	912.4617143	119.2817916	756.4199506	264.0017383	131.1856786	262.6546415	65.16394744	530.875326	462.4880445	133.6849079	482.7945436	718.5395199	617.7014853	629.1272541	282.0881012	203.2098014	357.7309298	273.9168637	294.2800293	150.3460825	52.09053329	334.9634908	248.4038889	1047.50641	382.9176102	604.547527	793.3870079	504.3740813	328.2160712	122.3045035	494.9506179	2076.000041	116.823616	107.5991903	512.9979981	395.6485758	51.17290244	328.8517501	2044.723887	1673.816533	457.5744754	664.8810315	486.8901338	639.8537204	389.8944033	721.2308392	332.6551121	57.61894315	672.3157662	278.0185063	255.115982	551.4223726	376.0681078	233.2985873	177.207909	775.6094582	262.7239103	372.9144342	161.7367827	0	192.4289587	363.7965078	447.4867945	239.769607	269.3294171	86.7012877	402.673291	281.3604328	290.7977206	245.0635398	554.6844231	636.3639258	442.9417959	56.14403788	210.9690961	561.8549475	567.1699545	0	158.0723001	175.3505327	93.50086138	171.2735704	3985.537355	401.8976064	390.7431179	102.6282481	781.6245979	207.2502744	215.9103367	237.2368639	351.3955199	604.5961209	67.52373514	589.2545557	210.6088327	283.9076039	3442.254996	422.6160188	274.8330471	308.2820925	170.6987912	432.9645877	1123.348822	119.7865552	568.8658212	478.0077272	846.9320796	393.6208975	734.2278506	202.244451	296.3377418	54.83574526	133.4696432	497.4466595	342.2367299	72.69456027	356.9378239	370.2330657	238.749394	427.5951626	362.869618	92.92652334	247.2801713	240.972301	228.4019759	140.8376675	218.3857064	236.7186049	269.7781169	138.0443468	301.0517959	160.5658536	125.6870501	200.8197312	411.1571432	994.3487449	941.1878412	430.497998	691.4097033	47.11554787	423.5011507	674.6029129	459.1100888	935.7591615	121.432463	353.4274153	169.5458076	145.6789418	243.1442932	193.7925941	530.3435843	576.9254293	425.142878	164.8684143	391.2747039	116.9787596	289.623337	314.1179093	314.9982391	197.5699805	107.3876447	272.4966352	755.7318292	136.3214988	581.1174185	349.2208551	207.492245	212.5357796	238.6283985	379.284168	1340.348162	157.4946894	159.6389104	53.89414926	65.70197626	359.1464345	318.5425426	405.703982	394.0255997	203.9714706	454.9066291	746.2113614	1269.303387	400.8422008	327.8885867	484.8511555	209.6141569	242.4790333	61.6617844	184.2237876	240.7654635	554.8833846	540.3430313	125.3086718	27.58074941	1477.893868	485.3140816	490.5428583	566.317652	288.0483511	587.2956547	557.8280063	0	111.3049473	243.9140013	2350.919647	460.8271409	203.0220164	44.96341742
6-Ketolithocholic acid_389.2695135_3.93	300.3539512	845.8636552	490.6103114	765.3903851	969.2843145	487.1205775	1143.644709	476.8742599	573.2331075	318.0880593	639.2610392	1332.756209	448.2715166	625.1477433	528.405076	1259.496416	751.8063189	210.2831905	521.2316322	1552.751863	0	1689.669587	936.6081449	801.3525688	1696.391956	641.0159762	891.3106713	209.5648015	248.1129032	493.2655042	735.5425137	927.3819923	347.6996571	1167.629842	750.1470718	401.0177061	612.5764665	172.1754765	1196.322601	900.5597133	277.4820757	454.3388201	308.9539299	828.4605298	1106.720972	3250.483709	681.5056501	648.813411	643.7517296	738.8529007	695.5213452	505.2059426	29.7726138	183.0905672	481.9710056	833.4067056	369.332427	689.6161306	1980.39567	398.4849928	915.4201044	0	780.1252261	434.318328	489.5839281	791.8976826	788.9674238	1063.761431	367.1343941	768.7006036	1150.445271	136.4536031	471.1145745	271.1192677	295.3071259	498.1761872	313.3210198	379.4366403	635.9147865	661.0892659	756.3328227	528.6781953	766.0032092	167.3611914	641.8722018	763.3955565	2856.048793	123.2406755	390.9411712	446.2683565	323.9526066	563.1515916	290.9571571	830.8649008	2085.249042	377.7392335	636.5065347	727.3294189	619.4774341	778.3545332	336.8941625	75.60979013	349.6714271	544.8496432	415.7170996	998.4505295	1510.605198	553.0208325	531.9241846	504.699919	172.0497573	757.120569	571.4358859	428.0025159	614.6485839	425.7009454	736.486876	660.7126699	454.4848296	132.360714	2733.817424	636.9978424	754.9198477	243.2406009	668.4103465	621.5983861	171.4174645	2552.864425	406.4218614	583.9255062	286.3357626	779.8072517	203.3416735	300.6691855	489.4812325	286.1342173	1125.528884	295.5040837	884.9473467	528.3940371	665.5776566	576.138545	744.2093806	448.9334707	583.7337978	680.7623723	151.5863633	108.9752635	637.7482359	45.93280441	574.5170129	1723.243634	1287.805742	328.4459426	126.2545174	1118.69131	505.7119662	236.5665244	323.2499852	412.5949247	353.0915469	524.0708134	1099.249024	319.5951222	30.76174727	228.9785182	197.3830065	487.8733743	76.1313145	475.4689954	638.5760086	250.8359148	806.806271	789.5388569	1484.347324	335.7636855	441.097127	897.2683878	189.0570211	392.0753973	251.874051	774.7245725	422.107911	483.7010863	336.6466091	358.3634189	230.7816846	516.4150704	567.22338	1057.267907	1080.875022	698.4195693	365.3287131	2287.542007	545.1091258	332.9160119	881.6938064	281.6232472	1306.045384	313.5485548	1165.761925	198.5377286	140.3325247	287.2397645	383.1117997	633.634489	1278.137358	215.1509482	278.8201859	720.1211265	149.0412647	184.0706315	987.4803981	494.1096872	553.1921603	445.0562605	895.949125	1142.401299	215.8983898	332.8230754	383.8352597	1770.368936	304.5628935	536.281166	413.0151887	1109.137452	131.2402026	311.9023377	75.12946388	330.6485308	127.7033448	775.6616973	722.7584352	420.7884685	243.3854421	706.5496464	325.9147104	1434.587606	863.701535	252.790755	875.8551296	389.0157958	236.3663126	307.1922159	437.7396231	226.0311941	809.5445271	478.2467592	225.0097667	341.4249301	276.0854275	131.8243189	515.702664	982.9326177	352.6309628	840.5376787	354.5086187	327.0218527	232.7913607	780.8377907	512.8460424	348.3050451	360.1916114	56.31434403
12-Ketolithocholic acid	0	5.785367857	0.645944613	3.233564323	0.763205137	1.911500109	0.458656577	0.729340264	0.62105867	3.287722753	2.107372428	3.994122475	2.389686599	1.650310273	1.637714781	0.611728996	0.694293737	1.240841229	0.441902405	2.145228297	0.169702406	6.342307115	2.09336422	4.063602402	15.24603753	2.16892671	3.002592566	0.624307495	0.123290191	1.877827923	2.322379884	3.060636358	0.88912834	0.784441222	2.89852249	0.151825697	0.041157364	0.428014357	4.256115062	4.962382198	2.97937856	2.720295466	0.168531345	1.227200691	8.045609472	4.334616306	2.46624822	3.62670004	2.309930041	1.456584701	4.426541886	1.177812739	3.109497355	1.541955545	5.298321699	2.806370218	0	2.896113368	5.707109234	2.190255674	3.208119741	0.154241711	5.27807597	0.88998502	3.302576949	0.904961416	1.539379039	1.706218261	1.147632639	2.451006083	5.55332059	0.860690571	1.480633741	0.028718287	1.903940929	1.224344457	0.388238239	2.036611806	1.647536774	2.79736279	6.545577094	2.421111607	2.905613227	0	2.434495208	2.167799446	2.730804208	1.070976588	0.71105108	7.018994439	0.862672879	1.860994547	0.179501453	6.484269564	3.201888973	1.554666224	0.14287568	3.569675333	1.498372808	2.403254878	0.555418622	0.159133491	0.366217445	3.241766299	2.231887689	2.154981829	6.449302873	2.315307819	1.34699336	2.606138318	1.437434592	4.695071004	1.310388235	0.054487832	2.245578832	0.660482046	1.670153599	3.418940978	1.512511928	0.432369698	4.603077	1.530141547	1.756027404	1.343260285	0.828275323	1.37447409	1.99035396	2.932143275	1.312172746	0.631139751	0.93486028	0	0.748192725	3.324253108	1.76074592	3.526641803	3.020901933	1.361952524	0.962029346	3.463580256	3.100195008	2.825767054	2.193082104	3.263505293	2.545034324	4.846328649	0.568345551	1.640027988	3.919092094	0.746642404	5.756656737	11.54486018	9.836080142	1.314295667	1.935125257	3.225096687	1.27442861	4.921684529	2.130254982	6.71494596	6.188426629	0.196849946	1.226526376	1.836408127	0.15537525	1.580262618	1.527768545	1.10799386	2.747419725	0	1.349204203	1.884630614	3.541680824	2.384914944	7.208620575	0.158636067	2.658741987	2.068335004	0	1.255179995	1.90853603	2.632449171	0.499665793	1.612880983	0.776132698	1.173364518	1.68304446	6.233977294	3.259630966	2.546875241	1.045871588	2.128171672	3.697416593	19.27226208	2.795961676	2.826780188	2.239979814	1.068004943	3.663530654	2.004720753	4.837139099	4.777130619	1.757379777	1.986516121	1.350264142	2.839787348	3.132473653	2.678159211	0.863027221	2.178494909	1.459000475	0.88844215	1.014367332	0.520090476	0.890848791	1.18902027	3.607605787	1.02701087	1.908266681	0.298441225	1.896090747	1.930527601	0.348249547	0.919662832	0	0.791428952	2.598778885	1.114702644	0	2.991125002	3.358900892	5.606677657	1.589761462	19.89299996	0.774903066	1.458855488	0.680923911	9.254550453	2.50974372	3.783721854	0.876467865	1.965358747	0.172308874	2.062285152	0.387597103	2.220089172	3.298415747	2.149091027	1.206156704	1.381402726	3.680569951	2.848618531	0.735042131	2.176786686	3.060138127	0.487156733	1.139213414	0.730108914	0.960700106	4.465037809	0	0.382139865	0.771616304	0
6-Ketolithocholic acid_389.2695314_3.97	324.5543184	558.3852355	530.1401717	835.5355031	863.4179851	263.6818057	1115.575549	243.1977583	528.7319754	343.7173138	395.6786074	437.5760764	191.0663525	445.827965	471.5106693	1200.887819	570.2058773	841.4971344	459.9940319	1552.751863	0	434.4730633	815.6888191	1273.951787	1627.565039	350.1371371	928.3869266	226.4500302	268.1040615	187.2047472	539.9616266	807.4004887	347.6996571	1096.570278	584.8005624	401.0177061	370.1216763	370.5420312	1185.893172	303.1885592	459.8442342	1413.46645	333.8472218	819.8013746	1106.720972	728.2752533	582.6591441	648.813411	523.8145295	514.9137702	488.697514	545.9118142	29.7726138	197.842692	674.0014927	616.3625062	244.0196616	240.3875209	1564.505293	398.4849928	915.4201044	0	780.1252261	434.318328	295.5583455	931.5839938	385.2465278	970.3294588	295.8580214	771.7734872	834.0555921	396.5201005	342.2901392	142.2053302	319.1008562	498.1761872	338.5661805	935.1763729	509.3240347	652.7528465	742.5203579	1816.100099	766.0032092	180.8459559	646.2096959	625.5948725	1777.995934	123.2406755	278.7268472	687.4723707	350.0543843	563.1515916	67.55415787	560.5519815	1673.816533	253.5772377	636.5065347	532.141703	470.7678643	496.187858	364.038678	75.60979013	349.6714271	492.0186281	427.9920217	863.4624932	1408.499061	469.0700274	384.208112	232.9192904	172.0497573	581.8377531	571.4358859	367.0069481	614.6485839	318.170853	377.1704106	608.9203906	454.4848296	143.0253911	274.8000347	1123.144437	507.8853117	262.839184	490.1015466	621.5983861	722.4461147	1479.484888	406.4218614	408.9021805	692.2107438	690.0109977	203.3416735	169.4205674	489.4812325	131.2588911	1062.786537	744.7922358	827.9926116	433.2370004	561.5223963	576.138545	744.2093806	378.3412635	440.1035581	680.7623723	244.691176	316.0743217	579.6409237	18.96013021	409.792655	1391.933805	1157.770883	354.909761	699.7324938	790.5271425	505.7119662	236.5665244	175.7131297	974.969619	1146.696137	524.0708134	877.0695624	319.5951222	85.87174319	828.818669	197.3830065	487.8733743	76.1313145	513.778877	638.5760086	469.092958	613.6252896	629.8335165	1096.208392	335.7636855	441.097127	803.5783738	204.28988	296.2059669	690.2809104	530.5418938	361.8601009	483.7010863	292.8845479	320.1408939	124.929487	482.6384533	420.4681741	903.1311816	1039.182887	604.3769673	462.290284	1161.078531	524.4374828	271.5624411	866.4935463	281.6232472	1262.396199	210.1595402	930.5487	214.5344749	253.5850467	310.3834846	340.5899445	844.3761661	501.6271806	379.1012858	228.5520212	488.5417579	115.6352837	703.0631088	812.1759083	191.3501753	597.7644171	299.4575722	797.6707608	784.4691676	215.8983898	198.3468515	305.9438625	438.9874825	329.1023871	316.8239137	274.7007375	992.8205733	214.1832154	337.0331911	75.12946388	205.0132685	331.1331917	775.6616973	524.1387676	285.8477378	125.3697485	546.6321791	312.2098065	1219.751648	849.7138024	744.1509651	755.6690799	389.0157958	236.3663126	307.1922159	208.1548983	184.1631315	667.0060411	353.3063013	243.1394399	368.9345023	276.0854275	131.8243189	471.2799453	767.021015	381.0434367	596.2590078	230.957702	353.3709282	251.5480189	749.7264388	374.1630898	376.3689676	360.1916114	56.31434403
UDCA	18.63952871	48.64040222	46.07596381	132.3097664	71.09742861	35.45336777	102.9101938	36.49911252	44.19822699	37.79646901	93.19380616	29.7077023	21.13061697	60.65547434	72.78563688	65.10152619	46.78612955	136.119141	21.49757798	130.2318815	4.41413336	202.6015836	116.0073425	69.87659316	64.52577793	37.04812506	33.67018048	34.64735347	20.74177255	109.0224344	38.6654653	23.45210503	55.05249894	85.67864721	43.27205091	14.40133832	64.57004068	59.84192743	97.44871075	42.95270245	84.27695946	54.29961003	17.17806733	28.66758144	21.37498534	103.6834722	41.32013954	76.0837446	57.34351569	13.81488467	63.20258195	81.30756219	40.45603814	57.87627031	96.11076246	134.020339	18.90747387	42.77458262	75.63901859	92.74148226	30.95699752	14.1353062	75.95776786	21.10989279	48.05015556	32.62579687	37.74318815	86.52765588	123.4998167	64.91128166	39.81797124	201.5639597	65.55289453	27.75999684	33.58104322	37.16589753	16.02802455	38.97981372	371.1253272	35.06554953	63.97291436	104.1774322	27.32009287	18.66740513	149.3937625	17.39674422	39.27934283	41.94198388	25.22922031	117.4268469	28.24311815	37.29746459	29.6262307	41.27054891	14.94342674	44.83841091	38.56276625	18.15814003	14.60155864	50.23503331	34.17274727	24.63523236	7.368979685	29.73490176	41.69191783	32.69993799	58.72432974	44.91664899	61.40965686	35.51909169	20.63662376	39.78081107	60.77499564	35.34582885	69.69365437	25.26459535	47.36350217	45.96672354	50.15777417	17.88404306	46.7829122	15.98888623	31.52908476	29.25065101	30.98434934	40.52555997	52.27232413	89.68092447	24.56047697	18.67858903	86.42060866	11.59742681	38.48899118	26.27031035	16.39698698	63.03286203	105.6891049	298.1027395	73.25914047	18.07634756	55.82875981	27.60475261	27.52028364	61.3974196	38.71224895	35.34981356	42.74062105	12.62119389	39.55689296	30.56626353	38.61709705	129.7569045	84.70922685	40.65659907	20.27660319	45.39163544	15.31291395	28.84787098	18.07108495	63.13188214	139.7436447	94.12574384	38.52587871	55.69317418	30.77784137	49.40681495	12.97675128	11.77853728	50.32470924	10.64769691	79.3440592	55.15424066	75.50694887	78.47608117	31.24323343	52.29581313	24.63756617	23.26335607	16.95061272	18.72090633	108.0147689	44.79164495	18.39718201	64.34602332	44.07376096	10.01011179	30.39051656	59.41455072	14.84084778	81.25859308	21.11921873	58.93363024	39.6391058	168.8429231	14.22539382	49.46030136	41.57898053	35.62815411	85.31918274	30.36121926	66.05057505	42.10515569	8.165414481	19.26515297	9.737109703	55.55484001	19.37338631	29.12581805	12.82512119	31.36133089	9.565644512	16.52223268	25.16631704	21.85231253	28.62645429	12.62275381	24.29521151	41.01914037	99.15032422	17.18867085	10.37261102	7.440386353	39.99803307	31.50068618	5.312287786	68.21598937	25.97869492	28.9123977	1.405080766	25.71553072	58.94463889	51.14288381	90.2692008	16.55404387	25.96946609	31.57446288	12.85063228	51.01164084	23.82230926	49.86986934	17.44395495	28.51398393	20.54784681	84.05752901	31.54013385	36.53385818	71.17690639	51.33632595	22.70629458	26.23904992	81.17185714	84.69512916	30.65865116	35.98380879	24.51071711	18.11837793	26.96848638	27.0661696	23.49559185	31.51898296	10.81853436	22.01388522	79.56476246	5.752717254
HDCA	20.65861383	244.500269	9.517777443	173.5380317	67.08035821	78.05294711	40.782481	23.24460392	63.77378019	174.0701173	74.81991017	178.9737816	72.94677951	124.7389493	60.01571389	40.11982524	63.79828214	116.5837698	9.726555221	115.9294514	4.344608547	199.4695417	123.2133408	349.9477846	530.4001924	154.0672161	171.6385099	29.31736652	23.73217107	209.4650384	112.0346345	304.5128279	225.332868	29.00927163	200.6743337	18.23619338	10.58618179	42.51616293	183.265859	150.3651402	139.1883173	175.8313525	14.32810829	134.7370163	362.6826436	247.4608825	43.68678898	217.0195347	154.2438559	94.02961216	251.3859203	61.02632689	143.3389416	40.38251744	345.7000777	169.9949984	26.0790611	315.9371258	264.7533265	85.16175313	198.1662561	24.93370408	315.2955115	56.79431829	146.9941543	38.83408376	97.05947106	93.01695102	60.70829325	79.56111979	225.3481063	747.8865025	104.3254021	5.8852551	127.9383864	68.71175126	22.91383249	156.3820806	284.9148352	144.6739193	199.9564925	199.7811	170.7180642	13.40618931	363.9980398	99.20279511	154.1988822	37.59376726	40.73299716	205.9243399	38.98980023	26.35269692	30.15631151	224.497379	91.31374248	88.22575919	37.97996553	160.6564876	142.6134237	160.4097299	94.87235413	25.20938041	7.231986883	109.5294917	116.6097144	107.1928714	387.5284021	72.34737312	68.5361472	87.58625846	80.58694971	161.3319885	63.61569733	35.73148504	67.94591583	44.30121683	95.77601542	272.7998521	879.9448653	23.93211574	98.71934366	93.07120626	71.0352185	95.86814734	48.90854728	45.35875939	61.33627623	86.34106717	54.27165874	29.208528	449.0171286	5.23532311	32.07543564	117.1253594	58.19438633	78.9486069	186.8349079	660.4192617	136.8531187	141.4717368	90.28319495	157.9553212	221.0493929	219.1383643	101.2268164	203.0681549	45.95119612	91.34416677	257.8552046	21.72407553	274.7760179	376.8038774	412.6850202	59.69376692	221.6346627	414.5337817	56.00985341	161.1811849	83.17589022	447.7240183	498.5491715	110.3442549	140.8937247	70.5494919	31.93316072	195.3054884	56.53501487	102.5972236	121.3521898	3.52108504	70.19971835	85.16389981	111.0758864	199.2715106	338.3431793	58.71920781	162.6710526	242.5748547	5.04248112	34.42935282	166.0924144	245.2437748	51.5450915	333.3629793	55.30701371	102.4043898	55.74239459	259.6077717	168.8021978	441.4950861	42.46028935	113.5642532	233.180249	489.7959499	198.1139667	116.3896292	166.4483439	50.03058232	284.7076357	86.7478408	183.9262305	182.3412	77.78451846	70.4616426	53.46224992	219.7758344	203.5034058	129.7569094	32.81730073	129.4583503	52.85592656	51.41134166	60.30993132	65.1727331	29.47832825	58.54866025	322.0593101	60.65686999	88.36752521	84.76942499	52.17183135	98.80370645	28.01323023	67.78682321	12.96815402	37.70502416	99.21809144	79.77377912	0	113.7037284	127.5605847	196.6390673	692.8120461	413.7749233	29.4790258	49.85487215	68.46935391	769.5767625	196.0183131	260.6956405	44.18933693	101.1907488	39.9686219	84.76688979	21.95835916	179.0705617	298.2191269	132.1691796	36.69908418	90.6708735	169.3805251	127.6210543	92.47944957	126.0199606	89.75403234	47.69687119	72.54304909	37.7749301	29.56800365	176.2442263	4.593192779	29.98155998	71.73805559	7.871802209
DCA	17.73285564	257.0937856	27.1274212	664.6442918	41.54969651	133.3972786	49.39484728	38.24284774	76.70045461	438.0083664	134.5914022	177.150081	115.0095346	111.4646536	90.51747058	37.76235843	90.61956604	263.5505051	37.42622066	436.9182302	24.06361562	475.8587751	114.5296133	219.5054358	476.4376195	183.8528072	143.0899175	93.45076629	37.73088454	128.5085139	105.2929161	218.0860826	64.54603923	96.1137872	150.8957846	22.75939617	167.4440331	62.66315813	130.8049329	198.0426117	400.2411982	312.9050879	35.44582318	110.6523876	255.1844906	213.8384616	79.22180785	179.1359917	156.3621911	95.19890212	199.8287746	74.03588107	149.9066616	73.38470147	372.1821459	219.9494027	19.80187298	226.3509477	174.4608994	85.29099668	138.3338973	46.39569048	204.1182756	85.83601752	155.3947499	81.16052982	100.7593726	249.7679831	341.66061	232.5545396	297.7274727	90.16494418	200.167186	55.93591978	248.5760119	70.09012023	27.03578967	120.7736676	522.5594902	184.0057066	289.7484576	140.0251886	219.8755872	33.7618086	585.2660454	77.933599	119.8315058	88.14652183	41.08348256	292.763475	50.02781261	41.68447365	25.43817491	383.7926738	113.9211996	274.0738226	87.24365618	154.151097	148.0895177	85.29900559	166.1000061	110.8704443	29.58394771	95.28420244	139.7427255	109.7624218	444.8539163	387.2053121	77.69702624	211.9269606	212.5620174	148.3904285	44.90468586	40.88562467	46.05053341	42.49217476	107.0043789	129.3549837	111.6975307	45.47389391	177.4960759	76.98554682	104.468564	100.2491547	67.03321846	102.6604016	510.4934961	70.74049677	63.49205833	29.55950918	75.80653327	15.12826582	56.44033085	110.1647712	78.19219654	196.1383018	427.5542576	136.9087551	254.0487047	180.8021516	115.5215701	172.4390113	178.8836212	309.6259275	197.5451701	263.5579308	156.1697327	79.53432842	237.6878188	56.76367302	180.8705652	280.5956045	493.1110188	134.4003058	145.9688849	382.913789	52.39204476	381.6780332	165.9320932	469.671642	520.1247975	103.0234442	135.5112974	124.8784754	47.5885145	193.7768534	53.12060019	64.01123572	137.2111556	16.6385121	80.3632307	179.6192585	125.537809	238.2494433	382.5251677	24.7826026	156.7781678	111.1003749	13.16560819	55.64589525	168.5939165	304.1942582	57.28386696	75.80893399	54.25106718	162.8864622	61.94470438	290.6551154	264.7272449	143.9368876	70.77557914	267.3115829	252.8526651	610.7435918	120.8983839	320.0977911	203.6616517	210.6345282	547.9639848	142.2849376	371.2270352	207.2479578	115.9181508	120.9852853	99.99761499	282.2460816	198.3841862	245.576983	54.80695085	110.8527019	120.5692856	53.46209371	108.8607622	70.72600093	67.49780432	114.1229424	299.7432689	320.1102865	110.8692365	63.98861847	83.68522846	207.040179	19.03702416	102.1017237	14.39882748	127.5919103	167.4591796	95.44668969	11.05051949	179.5812677	695.2004567	240.0637582	402.7901187	1117.337878	127.4752435	219.5142601	66.75735235	301.6425488	246.4717315	411.9646938	39.01340597	162.8819336	85.19308536	72.14950411	47.95040136	199.4824225	111.9977397	144.3917995	55.5664264	95.88859201	251.8893094	130.0720116	134.577001	181.4261427	253.9745287	35.49722119	170.0834908	99.22552741	83.14562572	102.1947467	9.995827772	127.2223224	59.43705497	17.73730663
PFHxS	2.558465323	0.73804206	0.261064445	1.040265611	0.326303151	0.705561184	1.589837255	1.100202455	2.223792107	0.979677558	0.867890354	0.985833063	0.396600745	1.657544348	0.048036632	0.989853177	2.172082987	2.02198573	0.705498468	0.599013457	0.834448496	1.263103766	1.013770146	0	0.800843928	0.649082501	0.861610861	0.31399039	1.384186446	1.400613977	1.799279212	0.815017774	1.425584577	1.296297706	0.023017554	0.953137005	0.093264765	0.789080295	2.852597051	1.821761803	0.211473688	2.474550515	0.6912393	0.019395356	1.218527734	1.860658111	1.377866476	1.061702344	1.787831267	1.006819309	0.605970537	1.022366295	0.473792706	3.73005318	1.623515407	0.773155598	2.051013322	1.690008306	1.265778119	1.151817091	0.938141473	1.229651523	0.582968027	0.720364368	2.41191283	1.134670715	1.569512381	1.539201815	1.720843836	0.748943742	0.613506432	0.560754088	0.600832491	2.29692245	0.992867784	0.502446021	1.455371307	0.958662488	2.041291524	0.969383005	4.058402966	1.199590876	1.747265127	0.730718569	2.50126178	0.842287702	1.947369323	0.847436021	1.112148556	2.387284183	1.475597923	0.606679556	0.541572948	1.363314117	0.61925383	1.28625808	1.29882714	1.041604491	0.749072622	1.561286889	0.950953279	1.323601378	0.648683564	0.660558599	0.671905991	1.62361667	1.254558319	0.591658518	0.884300183	1.478179882	1.153551712	1.352074096	0.260895956	2.600993493	1.24479616	1.843445256	0.733550482	1.309844504	0.518994468	1.083688022	0.560418343	1.000094689	0.694195319	1.393046636	2.243571104	0.885333899	1.580459579	0.689059423	0.165463653	0.899332764	1.359265162	2.114864721	0.748410028	0.891008764	1.938490819	0.929906961	0.605003054	0.515653851	1.6243051	0.567753494	0.628629032	1.078861329	0.661035945	0.859152742	1.643617856	1.553566862	0.984108144	1.205905369	0.855553239	1.031709938	1.26210989	0.958383141	1.334035446	2.184970019	0.860628189	1.379128202	1.381268429	1.015599015	1.42487198	0.847961006	0.781860676	0.860357312	0.759558466	1.092968133	1.261455651	3.516690189	1.038926732	0.675634893	1.24477374	1.074833907	0.583582365	1.153619892	1.051553482	1.906039574	2.392055943	1.641590619	0.881448113	0.91295961	1.131579813	0.046076733	1.106943953	0.755079306	0.270314545	1.909951103	0.569475104	0.890027298	0.422363896	0.947636932	1.024896417	0.826064612	2.570112218	0.757189501	1.111696144	1.815135197	0.062362844	3.799667291	2.192271048	2.106368532	1.067645827	1.809463818	1.303296817	2.302622984	2.070057583	0.503164175	6.344228474	1.107927797	0.912467729	0.527324629	0.06412383	1.076335659	0	1.102333312	1.02495187	2.351751275	2.058679109	0	0	0.298786495	0.724046782	0.619253282	1.13110811	0.998667262	1.210584058	1.047955251	2.167759105	0.012721124	0.691419815	1.225483527	0	1.075074482	0.784924039	0.037087931	0.872316076	1.095444193	2.485935869	1.266562537	0.093982979	1.159190653	1.81721321	0.886640176	1.286385088	1.268970267	0.677770998	0.990718817	0.838280217	0.702384445	1.847265749	1.124866449	0	0.090475443	2.239573248	1.169599129	1.028848862	1.839314866	0.794568952	1.387238555	1.374497844	0.707867595	1.381692493	0	0.054260829	0.963326997	0.732341492	1.306444768
7-oxo-DCA	0	0.742469192	0	17.10558133	0.133213274	1.289549951	1.358048562	0	6.945952708	0.403543304	0.075937788	4.165545597	0	0.357729242	0.900436158	0.229137064	0	7.113710805	0	1.488107186	0	6.428320598	0.915752751	1.466210626	0.577064003	0.381199423	2.146125188	1.434543947	0	0	0	0.858526297	0	2.270058449	1.00315278	0	1.849782383	0.82137079	0.165695461	0.245674061	4.503910474	0	0	0.753527124	0	3.794418174	0	0	0.152526331	0	0	0	0	0.269721757	0.907789012	0.134990174	0	0.524799829	0	0	0	1.03346963	0	0.170137142	0.171197189	0.531792788	0.343685404	1.24149599	2.863121167	0	0.46287851	0.144776817	0	2.335652822	0	0	0	0.855302353	8.068637374	0.162380837	0	0.440518554	0	0.822760236	8.941381374	0.544634908	0	0	0.081958386	0.050623122	0.1049612	0	0.666475957	0	0.193408312	2.21251849	2.271923394	0.109443441	0.624947835	0	4.608796042	0.132801782	0	0	0	0.085252025	0.139469255	0.522222461	0	0	0	0.412103656	0	0.358354274	0	0.307099117	1.825560977	0.167591911	0.559027799	1.185556916	0.768082184	1.153683208	0	0	0.393359983	0.419157874	0.854090528	8.897036787	0	0	0.135346251	0	0	0.033058867	0	0.294734075	0.641821305	1.10857159	9.500802391	0.772320241	0	0.063945369	0.091540921	0.29407163	0	0	1.833550404	0.025433393	0	0	0	1.298738075	0.623326647	0	0.675185099	0	0	0.244085338	0.020982975	0.214596477	0.299679795	1.366676133	0.172681101	0.788930982	0	0.700547657	0	0	0	0	0	0.300615558	0	2.02855737	0	0	0	0	0	0.045242469	0.931087861	0	0	0	0	0	0.074828615	0.051563556	0	0	0.229130669	4.828173286	0	2.412980972	0	0.878471049	0	0.099027208	0.312962054	0.398680745	0	0	0.02427837	0	0.531316896	0	0.062185866	0.447296061	0.08396932	0.302787873	0.602540793	0	0.0724035	0	0	0.105250392	0.504157948	1.319411671	0	0.504899175	0	0.381639728	0	0.143919235	0	0.455140974	0.178249454	0	0	0.041683965	5.724288853	0	0.954543848	0.933800604	0.083422046	0	0	0	0	0.737669907	0.069752731	0	0.327241522	0	0.935740586	0.060475049	0	0.028846323	0	0	0.794059489	0	0	0	0.056756258	0.077809532	0	0	0.203862428	0	0.994394017	0.956991132	0	0
HCA	0	0.536051873	0.081850331	5.780260271	0.257933453	0.996853064	0	0	0.902856654	1.076955871	0.270759593	0	0	0.382134081	0.716636403	0.246864265	0	2.950154635	0	0.706213173	0	7.196726857	0.42233307	0.344797862	0	0	0	0.702534005	0	0.843279919	0	1.153014628	0	0.94288473	0.645940876	0	0	0.727772068	0	0	4.071824915	0	0	0	0	0	0	0	0.137618093	0	0	0	0	0.339995087	0	0.233625144	0	0	0	0	0	0	0	0	0	0.357966148	0.417334386	0.941477408	1.422544613	0	0	0.767695265	0	0.445658328	0	0	0	0	3.43516711	0	0	0.565209629	0	0	7.285258977	0	0	0	0.045547637	0	0	0	0	0	0	1.106788167	1.410145633	0	0	0	1.280136841	0	0	0.357612975	0	0	0	2.362717782	0	0	0	0.087688873	0	0	0	0	0	0.251741775	1.317011128	0.128915037	0	0	0	0	0.295975386	0.183392049	1.061883564	0.144217224	0	0	1.929996145	0	0	0.06629698	0	0.415856932	1.889302594	2.889977365	1.845170435	0	0	0	0	0.508542921	0	0	0.161307796	0.062080409	0	0	0	0	0.224680479	0	0	0.845764084	0	0	0	0.86379029	0.520549965	0.205103783	0	8.562638972	0	0	0	0	0	0	0	0	0	0.100800363	0	0	0	0	0	0	0	0	0	0.137883489	0	0	0	0.630789567	0	1.165168134	0	1.777678401	0	0.252241324	0	0.10223511	0.441162453	0	1.421945613	0	0	0	0	0	0	0	0	0.758201174	0	0	0	0	0	0	0	0.089012094	0	0.840609329	0	0	0	0	0	0.063893959	0	0.107328241	0.346252685	0	0	0.098102273	1.788152169	0	1.721394016	3.497280192	0	0	0	0	0	0	0	0	0	0	0	0.046698173	0	0.185602244	0	0	0	0	0	0	0	0	0	0	0	0	0.373872062	0	0	0
CA	63.12336161	18.10703837	24.49083062	685.0311485	13.67303085	30.48522048	72.49152831	54.86677442	224.8822321	238.6270507	129.9401143	8.814950722	15.00441262	25.30900736	16.84229875	50.04678781	171.2246859	857.4555865	73.56380766	2110.904782	19.28336175	267.4521225	121.2124218	13.81841147	16.43778763	43.96515177	9.992213615	161.6362706	180.5019177	24.49770385	80.2251516	46.3830104	76.00260112	112.8986093	78.79395992	32.01087325	843.8957609	133.1868272	22.72987226	54.33062391	364.6330716	24.30239441	99.46865933	75.49137016	43.84065711	13.27983086	50.31358456	35.14432145	51.10388949	15.44549122	11.70221474	17.18147287	18.33775146	41.00782048	35.84289054	21.15424516	33.74051964	179.1596459	21.89657203	24.84515339	22.80100658	215.380592	20.44484875	39.91391587	47.44079413	245.2250148	80.26051787	411.9907921	941.7773592	85.14330565	37.40354576	13.8914	10.85416518	415.9549294	222.0490114	19.30351392	20.04116838	12.47833919	1192.057525	19.02386852	150.3969832	42.65671643	35.46176459	293.7418596	2233.282933	9.412553783	37.37254626	134.9058033	23.61910553	48.65011927	30.80016805	23.11716341	258.206679	38.137864	12.26552212	304.0695222	880.5305379	28.8886977	18.42593797	27.77943583	529.8227049	567.8401898	114.5968479	13.42157767	10.66370892	28.13681296	131.1235496	191.4966007	42.68921397	148.8860502	372.9286474	10.09121807	22.78706144	143.5216513	26.85414696	37.9281166	51.31710794	18.59117499	152.9315619	222.3623848	18.42268988	14.23240775	55.30117496	26.15752619	45.19099457	559.9685974	368.5679268	10.55143376	11.12871872	11.5743588	23.54625783	61.60125641	72.21570074	10.88032504	68.95748133	46.86031343	306.5624863	24.10288731	844.8441515	12.70808498	17.52560727	266.2808619	36.72829645	124.5048699	46.70299391	98.71946569	751.7022781	14.68967388	37.07185178	159.1321112	10.54529923	31.69696208	147.7403211	68.27834131	10.76988723	55.38456492	23.76585532	520.5925879	10.3151975	123.109039	63.38838454	677.5583381	18.8042723	337.3781705	237.0014333	131.1788891	24.97994544	21.95288131	35.23292339	19.24101271	27.263361	34.91441237	16.02492554	123.9303665	29.38319514	34.67447132	40.92548447	17.71175792	37.77070488	49.14097114	266.7600463	35.54781479	8.910546319	112.5846026	156.8361111	11.2536948	43.90277486	22.74069891	10.81439918	78.48528884	51.6633106	550.0745675	23.33936043	17.89911412	28.84998107	104.3299662	70.40267584	409.8205219	399.4959413	71.0261992	25.6321239	10.74661045	12.99474969	37.27190117	45.94923213	17.95919091	32.59706085	124.7512427	24.9847559	11.43427372	22.09245393	30.74304071	18.19105423	10.2248507	15.32648308	47.9884462	76.96949349	639.2862312	24.25693767	36.61503447	16.61378812	42.282361	28.93882766	40.59513694	35.73213621	62.28366852	38.59490362	36.52168392	18.51130186	37.42883379	538.2830932	32.7731914	182.3804808	1608.020647	40.0194203	404.4676803	17.17315514	164.926695	48.64091935	16.90578791	12.06724767	28.91929285	309.761058	10.83579837	13.39685816	34.91052296	9.587587095	14.09546457	8.897295763	40.55805998	428.3464423	46.95235441	17.10340201	146.6962352	35.49365667	23.09167053	66.76900909	63.67863393	80.67793645	20.92971206	18.46419625	184.8398145	23.82169766	12.16073137
dPFAm n=8	3941.413507	3149.687845	2696.41387	762.5661745	2861.447324	2509.094109	2500.617274	1944.563833	2103.835169	2106.799782	2163.466258	1772.853623	1817.181096	1637.699103	1816.284225	2342.207292	1958.412911	2305.73342	2120.246509	2466.740536	2591.66521	2425.613073	1843.957166	1542.403408	1631.569409	1383.532535	1500.501406	1447.256801	1737.372421	1475.944506	1478.468713	1420.045048	1588.977928	2060.871515	1107.186441	1490.951029	1508.609866	1923.381192	1477.270337	969.492217	1511.6239	1312.444327	1069.225827	1170.889476	630.125009	1566.56604	1113.541183	1779.385838	1159.371552	929.8479095	1521.69108	1014.664848	1639.687896	1235.768285	899.8057366	901.6768058	1130.411184	774.9030693	585.805327	943.7882383	1086.755923	908.0451694	1126.566894	1333.384292	1417.90639	716.0411394	1002.205844	1473.997169	912.3534209	1113.704673	569.5029118	963.6240282	1019.691107	730.3792521	1044.294894	769.5379483	920.0874386	777.240747	1164.459602	645.1056341	1002.826846	855.9460049	990.2833623	1289.582188	107.3316781	775.5324138	377.363805	687.8767211	751.5139908	144.9464895	1024.860963	569.3296673	463.3421214	1406.702476	496.4316477	918.58357	997.7023157	442.825679	731.0154015	1518.747713	612.5469274	701.586516	586.9674235	641.6466562	1130.28797	512.1728344	420.7960044	668.1047637	804.4546127	1053.755343	775.6638329	565.9550383	430.0845309	756.8771349	431.7775813	604.8654621	372.3931297	381.9560167	553.4794343	437.3016302	240.6147926	658.5324879	493.9464268	477.0710952	559.2144084	644.951069	466.6417424	489.9399831	471.4081807	405.3279419	452.029926	416.2531753	31.94463537	454.4462356	296.7644497	402.2619765	453.0851171	428.6213481	291.8348241	500.3973238	418.4682791	548.6079414	798.498393	422.2800383	523.2635676	425.1061119	410.4391008	348.5751636	257.1620877	319.9955606	455.3630169	685.2858909	272.6440831	452.8147549	357.9423835	419.1983714	130.7028288	146.6308047	298.9318866	344.5461209	314.9609416	296.8210778	394.5106943	20.35794631	0	297.0016421	279.6973652	459.6015797	60.97337333	260.7448957	283.8327274	273.5156368	359.4985975	247.3903762	108.0957445	0	219.6577353	32.14834781	249.5108956	175.8835419	397.8259726	167.4672137	241.7194015	80.76654381	225.0712401	107.5060158	208.7223385	190.3050953	209.3188091	117.6299082	202.9110991	298.8834178	104.6639665	224.977599	229.3971611	202.6243703	140.0954703	54.46122657	100.4495992	201.6517808	139.1509185	186.5388944	249.7087369	165.9207681	107.3317452	161.6128207	115.7298323	96.60851728	184.2333928	317.1290987	147.0303834	134.1984938	69.4798554	192.6390712	128.1896926	107.3610592	170.3102934	179.0764745	109.2708211	68.9841852	87.94921256	0	113.5151477	102.7160257	114.9674694	75.00911045	96.79766765	132.8557126	42.2663617	78.10288407	54.46576954	0	117.0457663	55.53134453	68.11037017	45.29369483	77.80265122	0	11.12112081	21.2771468	8.584356054	0	0	0	0	26.59669034	0	58.19506637	7.458511473	133.0082251	0	0	0	20.98343649	0	0	0	0	0	0	0	0	0	0
PFNA adduct	0.661888994	0.472855586	0.202635104	1.877551831	0.331003468	0.197103709	1.940419496	0.365132694	1.097489118	1.040360729	1.063436581	0	0.392324378	0.990491937	0.085283516	0.36659673	0.370154173	0.938777602	0.087284063	1.488465016	0.685816355	0.232612865	0.934012483	1.008126528	0.505799197	0.398620056	2.922119634	0.053820449	0.359914016	1.325884879	0.923174079	0.439890971	0.985073652	1.523533924	0.031209337	1.165115873	0.523395064	0.420669935	1.811266801	1.330315595	0.101050338	0.849067191	0.692476679	0.271156582	1.89817591	1.226223425	0.460987714	0.854156988	0.764872948	0.636837711	0.058384492	0.505544912	0.457255139	1.109578367	0.448269597	0.213337081	0.994187155	0.801572592	0.856919086	0.295306778	1.001094845	0.57043405	0.251640072	1.485461317	0.243032805	0.384814937	0.470107519	0.455621282	2.240492913	0.146748639	0.252861156	0	2.91690895	0.536791085	1.14596678	0.138781017	0.496427634	1.154837616	0.243169395	0.249207911	0.295155545	1.387785058	1.234290265	0.191234805	0.1942208	0.063165723	4.395060096	0.302873095	0.212672066	0.992226629	0.274220329	0.896119355	0.27035973	1.664398447	1.117362019	0.226019947	0.388215773	0.16464894	0.881528027	0.291535248	0.669510512	1.02975262	0.470339785	0.604897927	0.143096216	2.246259903	0.56327236	0.565574158	1.334755356	1.391591818	0.291324463	1.013736056	0.380089644	1.684472226	0.79429784	0.429496636	0.571680726	0.552951983	1.013156814	0.91983593	0.147521113	0.325329169	0.279730807	0.377921798	0.350240985	0.247533245	0.811554853	1.026927832	0.081157135	0.592198896	0.397899375	1.317797837	0.333506976	0.083379904	1.418588352	0.017285254	0.40865043	0.29519307	0.679055483	0.806261981	0.285978879	0.463823752	0.281608974	0.050523239	0.554546949	0.55714563	0.465143758	0.555215827	4.347181677	0.192939061	0.991500091	0.328647592	0.734675747	0.256992426	0.549235816	0.632803751	1.365801801	3.23131447	0.319738034	0.103664157	0.349574567	1.543521499	0.305023944	0	0.689629605	0.29306822	0.399467501	0.306876266	0.695387486	0.911781772	0.55619192	0.768103234	0.555372061	1.923022702	1.358659067	0.833135257	0.452726787	0.166816476	0	0.513619924	0.841358271	0.158071234	0.294690422	1.821386817	0.144750708	0.347593909	0.617990508	0.359948496	0.16959024	0.246640444	0.672350262	1.561777643	0.353353388	0.766176106	0.128565954	0.528963714	0.580378505	0.415603608	1.029143731	0.771451249	1.428917929	1.214216072	0.209979294	1.455095944	0.379937961	0.661402273	0.53170468	0.044304691	0.460893477	1.617674886	0.365552192	0.109937639	0.349513884	0.618344312	0.161692401	0.073582691	0.10634861	0.547542729	0.426697369	0.2563595	0.66390535	0.150227204	0.848252033	0.173284541	28.09339185	0.053605568	0.138787589	1.147593885	0.091288278	0.116344318	0.307764872	0.065483066	0.399824382	0.620587379	1.969643538	0.577244524	0	0.439236694	0.889528474	1.282234413	1.0275621	0.257508961	1.206919971	0.350198104	0.984842644	0.256121234	0.725030002	0.171102085	0.149739701	0.441274867	0.509373894	0.418047242	0.364104892	8.295162998	2.19173503	0.583708674	1.605793561	0.672756318	0.239283222	0	0.102757472	0.170474822	0.974504123	0.224608512
n:2 FTSAs n=6	692.6121178	1062.563938	882.9077524	243.9026302	654.0287636	526.6717334	879.7899987	789.1567459	696.44004	915.5003248	724.1252381	467.6611984	703.1260066	633.2999746	959.9031469	749.7652225	942.178889	624.4494227	774.0693819	916.2551785	723.7269452	531.2633859	941.2545411	1087.050293	813.2354224	941.9104088	826.0764914	492.7776892	1321.31177	795.213767	1070.139452	672.7773453	389.0813307	927.228753	747.7196344	719.7763939	934.0084929	500.1039741	818.8895037	958.9864618	493.9155222	666.6777243	915.4759011	661.2972676	721.2050396	725.6077292	664.21545	621.3698089	356.1488057	582.2096332	812.6077984	739.0741845	598.9749199	338.2573725	622.118594	742.2814231	581.5016629	457.5248805	595.2889894	675.6949337	499.4876804	884.6650081	613.4202507	543.9807753	412.7212869	676.5437487	464.9015865	501.2305475	605.5780387	586.8686297	715.1032181	622.554838	847.5618638	256.6886802	732.2203174	779.7616149	670.209993	800.380258	493.4291432	431.7190637	623.3759667	701.8633049	884.4883516	596.9199368	68.71795667	1038.17995	1530.445713	324.587668	384.0707289	202.6758821	667.4281137	672.6668335	686.3011635	679.8166823	818.7846359	378.3238555	397.8829435	463.2673821	467.4588194	247.6476825	818.9602521	503.7005072	656.0547595	769.178781	636.6560863	490.696058	583.018211	895.2553135	917.0983725	798.0768204	500.9024803	363.1847556	680.7897921	608.5857365	837.2784793	516.0106292	788.6709869	740.0997634	576.8513614	509.7596443	563.3029543	779.4629448	727.3541476	856.7950601	660.3208071	679.875143	702.6730186	631.9898007	566.2610543	452.2674553	665.0000902	1114.490929	669.7294955	460.7740058	826.9639804	388.7237267	617.1141174	591.4789344	427.6335562	633.7857783	540.4537041	696.5162441	518.7242349	404.3152949	527.6479186	571.0131545	303.4314914	260.4088791	622.0812619	241.299275	778.2940012	348.5543473	489.3018967	742.2765778	652.2178309	583.1884571	729.2119277	467.0844683	377.9111614	553.3259512	415.9369457	811.3793892	852.3509682	34.26348425	598.3379205	406.7882783	268.1517001	872.7334787	854.3941697	922.9359235	742.0046254	665.5095818	795.4639899	876.0340175	390.4269937	1205.84882	510.5312226	860.0640389	639.4606873	321.9757034	535.4728929	391.8696423	492.7668378	604.1261996	365.2725566	637.3445449	450.0404193	335.1517518	385.354143	577.5847879	697.2502379	586.9006806	631.9378903	794.1279708	596.3429253	659.3150034	837.7024646	373.8603173	454.203919	398.4178694	674.1122235	623.5973023	321.8302494	527.116914	632.2423238	591.3241462	569.1088089	238.9351627	369.6701994	901.0463898	576.6379019	508.1794371	344.736774	485.1807796	924.5399776	280.7324867	400.296317	930.7458392	594.3882541	422.1548512	916.1786299	658.764861	623.669332	371.7482584	787.1211851	599.9655622	363.3568809	524.8848225	560.5446549	377.6499426	208.2029829	850.8903464	602.2957532	276.0222017	721.1180555	526.0174918	614.5826526	495.0660616	389.9367821	795.1343767	660.8204217	679.2913379	519.6067414	684.3186368	822.8345894	301.2639641	664.5707117	448.9873299	470.6132156	463.2179527	546.7328813	600.6590777	751.581617	675.3067031	799.3413324	859.9158094	412.0951619	767.448223	461.595391	552.8962016	529.9739529	933.7177509	678.0798596	536.3052948
GLCA	4.585536379	30.64577604	5.146875074	5.901145522	5.533410338	4.433451669	26.75074339	3.634264639	3.816648326	3.373092365	8.219195996	14.11204759	2.834386398	11.18857447	19.8199221	4.236518566	4.648116682	6.595796127	5.165196396	7.342258447	2.525455171	19.26892508	10.63361984	5.706521734	5.337991409	5.531175542	4.325333209	3.226309368	2.599047866	3.950766344	5.455473247	4.76839342	1.442473111	4.768504149	4.332494567	4.821782349	4.129896769	4.76445082	4.790856024	4.855550394	7.703817379	6.800744823	3.112156844	3.341816592	5.722581238	4.564197502	6.085657267	3.130181961	4.555734345	4.561322298	2.704023027	6.309573011	3.301164484	2.19208061	5.446470402	4.069203038	3.338129292	4.735839539	5.298475211	5.823482612	5.128035502	2.775989085	6.358880261	1.780188062	7.145121058	5.345071114	4.596999261	7.166581674	5.57995102	6.432724075	8.539261556	4.402376841	5.246521811	3.718657523	4.300469155	10.21042468	2.691294671	5.24976485	6.198538007	3.480840479	13.65356656	7.09938379	5.819320028	4.026810922	7.020812909	12.3481008	5.990816783	6.766644161	5.127995012	6.395123613	8.014693393	8.815489428	3.807002012	11.16978454	4.074712537	2.603665056	4.567042219	9.605150576	4.609657595	6.635102842	4.449040392	3.800663274	3.170811396	3.322493373	6.305100088	6.277090833	14.58508612	2.938674974	7.203309933	3.805328278	2.998148494	4.992174668	4.563829568	3.289297638	6.468004602	4.991723083	31.41953242	6.677592949	4.363449417	3.911336296	4.447604627	4.817508562	6.082850665	3.837310466	5.437356929	4.112592024	8.27793406	5.207903774	4.441144321	4.133538283	4.243251042	3.626983769	4.414474978	2.825667248	7.308308265	9.660619182	5.42102546	7.155400545	2.221998606	6.302962292	2.483020189	4.168666634	5.152932986	6.075529688	5.260196313	1.793643857	2.689598539	5.562996444	3.94544622	3.315119215	5.666388292	7.588656006	7.319867247	4.309789924	4.522423191	5.204734045	5.148406391	28.89787843	5.062393476	9.126637911	12.58428397	3.457167431	4.641331774	5.580475806	2.630446799	6.582315162	2.066705604	3.158550053	7.448897606	3.584178797	3.869528123	4.657945666	6.504243072	8.397116485	6.202871087	3.806069265	4.428558633	4.868473416	3.0170715	4.626909729	3.182891798	10.11636704	5.495742161	3.572085332	5.67603179	4.534714789	6.154496216	11.57615916	7.716643204	3.609154945	5.831301751	6.218901058	8.781170735	20.49338397	10.85655548	5.937553519	5.26826954	3.969608853	6.415045325	4.446283092	6.838518957	5.038073074	4.201451765	4.55918929	3.341764346	6.588607293	6.721857356	3.379473726	7.531783245	4.8869399	4.826146524	9.144023711	4.31485618	3.609033301	5.119582935	7.40490343	5.588891125	3.586176664	5.419381141	3.08751246	4.416509452	4.322981735	4.618299988	3.143104272	4.621391416	6.257285841	3.287271778	2.186373928	4.60241106	5.142215396	6.251025909	6.492296921	2.783554617	17.80982349	4.364684141	8.108875701	3.185232039	7.472885075	3.077660252	5.685763201	5.332963633	4.407256013	2.133559423	12.65522454	3.830625004	2.655257411	4.486294801	6.002778653	4.991792948	1.603474692	40.21470061	6.550853161	4.1111147	4.275092058	6.176680945	7.042864734	4.391650514	3.269194716	3.703683951	6.477713086	10.10802599	4.204445174	8.941610791	4.054627535
qaPFSMe n=4	1122.315885	984.6903427	907.9999574	1081.516988	902.7976414	741.4513786	640.6328705	574.3067347	712.8967931	1197.769523	847.4105594	996.056075	729.3797269	596.7984638	725.6579306	625.4600944	1367.729839	512.7069919	402.2374889	1110.784768	911.2475219	383.3447951	550.539144	1461.05321	647.5863212	1212.200325	798.5998534	661.6446221	756.8602259	1178.899431	950.6756473	1284.948468	949.965643	856.0114737	591.4672026	926.1869352	737.4383748	356.4982027	1043.975052	931.3194144	382.0555946	911.4739762	749.7603404	1144.019196	903.4148517	1043.417231	562.4411319	1096.354468	322.3256328	810.3792702	485.8464617	862.565319	528.872993	297.8173453	1172.871144	750.5730882	555.9411937	789.1545398	818.7656717	497.8860729	780.640329	794.9137221	682.0955262	850.8846864	805.5938536	1043.052159	640.8870787	621.6568578	970.0935015	1010.851531	922.6711571	932.2443247	694.7559347	437.1658062	804.3189151	870.0787341	908.3233934	861.3437079	792.2862353	816.1871761	971.6047558	603.8907891	712.9108564	968.4156266	510.2383898	689.9515772	1338.026006	807.8904928	504.3190792	1065.8459	755.8710281	684.9835324	908.4157128	728.3871186	773.0066369	269.2708843	510.3858948	894.1510493	1039.93927	827.1165995	830.8386952	796.4094585	1129.810774	826.5763622	669.8860174	1668.064159	1007.643996	767.8724356	608.785371	578.8539821	612.9162644	382.2960097	986.7937547	767.3002747	649.4362931	437.3778938	895.841293	704.7211985	567.8562631	649.9764731	607.9723785	918.6013804	619.4900935	694.4009152	345.856354	792.2625337	1056.764294	823.2946891	607.6960745	896.1305157	854.5000192	832.0300073	602.4193727	258.3615777	735.3887339	265.2625607	902.1507723	842.0458436	907.2619378	1278.306247	532.1553638	394.7435636	558.4738665	466.1107075	1115.409782	762.8750782	815.6752413	206.7461578	853.1393935	696.2710624	1005.877998	647.1722612	619.7144848	687.2099938	748.2594036	847.0081759	750.8188891	686.0147489	340.3761704	522.6995414	323.1029932	742.4630153	1262.480224	781.08139	977.3464213	875.6193418	633.1065904	1431.348546	847.6569239	576.4087441	874.0671493	891.0211771	1176.159622	832.6138036	981.2500309	1171.070817	529.9286996	831.5953767	719.384897	473.1868253	1002.082348	699.9511022	1543.148535	437.849442	379.4506171	652.4472267	274.0943658	324.0011125	570.5548757	1260.604508	612.8559034	407.556901	662.5618266	502.9990645	1065.306396	1314.087886	698.9085996	837.2482251	383.9932939	381.6551719	919.6758408	1000.284686	418.6877296	1206.789317	1015.103684	849.7729593	857.8894511	530.1676626	341.5090887	584.7577345	529.7942526	982.4235034	679.5707879	802.2770891	1022.105096	432.5432712	809.7907157	1161.458221	571.3115122	625.2433677	1123.975315	631.1245771	803.126953	335.8886985	693.969505	513.1873818	397.3720694	1018.618631	467.2137133	471.9289412	334.3947807	601.7091571	827.6642106	335.0544928	425.6037761	530.8989057	951.2444764	1022.569772	955.4390923	595.5960851	959.0112504	719.8123358	813.7961034	750.8453737	686.5804934	469.6334465	461.3803869	328.0359112	368.6488165	763.7173947	571.4533792	560.5027779	806.991487	725.0599107	811.5034324	969.7709727	412.546217	1042.332008	386.6312736	762.1852082	860.4413762	736.3567959	775.3039203	602.9950698
GUDCA	1.263587155	2.113399046	2.903653686	1.640907842	0.935357063	1.696971467	28.9351884	1.571847303	3.393365677	4.282693641	8.606879156	2.259570354	3.347922028	10.26207819	3.169562008	3.396411368	2.208929936	2.175745474	5.927501581	2.418775363	2.999963563	5.008977369	3.650485296	3.202378015	1.548312726	1.70798181	2.515925527	2.702317453	0.640008045	21.40049981	1.194190969	1.413904098	40.65290557	11.07569486	10.00863323	0	3.527918076	10.66688094	5.303354534	1.79041081	6.870644194	1.835553113	2.054411835	3.676415734	0	1.520941059	4.038279605	16.13169038	0.98873524	1.227348564	3.164349612	4.040074284	1.198580877	9.14650343	3.572138031	0.6418686	9.697276597	2.351004794	2.040477663	0.375845727	0.330674886	1.668042034	1.226998836	5.349610719	1.272040239	9.926263071	4.810440882	6.509977266	10.71675813	2.818322153	2.387996609	27.26976845	7.600760249	5.80213505	1.958297744	3.894572456	2.125634321	1.38697685	27.60516218	2.122969148	4.442041598	26.44335787	1.687560794	2.202608567	13.59095736	13.20257766	13.67528033	2.54055324	1.88939646	1.260633071	9.81739526	5.73808045	4.349008928	3.251108718	0	2.261242265	1.953983037	2.938216756	2.23149077	8.856699659	1.464723498	0.318923364	1.524452959	0.377853882	1.500699968	11.85513804	3.624774909	2.235459824	0.687246377	0.851930838	3.048375715	0.884452313	0.188943043	9.784669828	0.334698653	0.347039741	2.308796794	5.599844836	0.716915654	2.398344902	0.309995746	7.529240361	13.88038437	12.82891529	12.35336003	2.726722758	2.234858101	0.764692099	0	1.179121003	3.406372423	1.247950431	0.752485081	1.159663587	4.083114389	2.078424847	1.738849566	3.109233702	7.371974311	1.358092283	3.033049651	3.700499083	8.333009089	3.388933737	2.847787725	1.957285259	10.01743144	1.782751159	5.287542892	0.826818722	2.346181174	2.677912148	1.671453938	4.476533708	0.886529556	4.910005682	5.580287534	1.583969001	1.13927764	2.057115387	3.8177492	71.53138383	3.892883882	1.539472623	0.96068547	6.119842173	17.50915259	3.632417426	15.79139255	1.586077201	6.367548082	5.789910594	1.341715185	20.85935399	9.092687838	0.656989197	2.751147282	1.811001717	0.833183192	2.161422737	35.44074462	6.252606775	0.874726863	17.76841577	4.579424187	1.122512912	2.749132095	2.785835087	2.244517052	18.22315726	9.709017009	1.264292814	2.282478647	4.453596741	2.745850932	3.43693838	7.95908039	2.597158545	6.472581032	14.96978676	1.295195727	25.40935685	5.815101435	0.824097559	2.32673063	6.40122983	1.543856998	1.523585399	7.625314744	0.806597611	0.780120927	16.93881426	7.302003595	0.712335151	2.499175145	1.91866801	4.909725835	8.608458532	1.796619441	2.157262828	2.735910896	0.154940024	4.279520569	2.235993298	2.483619561	27.93682046	0.685258233	11.13177213	0	2.012120128	2.554952628	2.313485258	1.881745376	6.437208041	10.7894527	5.101531723	3.222346479	11.50777169	2.494669491	1.960641378	3.937898283	12.42415239	6.038307437	0.415163256	2.458876351	8.479875828	2.165662712	1.631828673	2.163516939	5.025023914	5.091469513	3.449761974	1.380095772	0.326195785	1.321020403	3.720229117	14.22989432	0	9.060144323	17.63733901	0.109158673	7.230249741	9.846931633	0.304998096
GHDCA	0.85366217	5.704358703	1.520188973	9.65030596	0.631914416	1.146450673	18.68333064	0.939817915	1.865906838	2.480242761	5.24535118	2.122319243	1.952292124	6.208404681	3.606997403	1.701902176	1.058366804	1.03349594	3.560721759	2.404269963	2.981972777	63.43193227	2.363021727	3.005240552	1.640398573	1.15388911	10.60953173	1.297067215	0.432380667	13.76017302	8.568797462	0.694270798	40.24459894	7.208039528	6.252401232	0	1.839551976	6.763972379	3.179037105	1.779673714	4.177595658	0.972449596	0.98632464	2.246880749	0	1.027526941	2.314658845	14.90268851	0.667975982	0.482362949	1.60238074	2.482085428	1.191392985	5.905371978	17.9868295	4.400432403	6.156535633	2.336905815	2.028240916	0.37359178	0.328691828	0.646413919	1.219640522	4.640850375	14.54423919	9.088531047	2.439260257	5.300952621	6.732824966	5.329499305	2.37367579	17.52231583	4.653501223	3.326304582	1.322999125	3.32388859	1.026971599	0.620965168	26.84799372	1.764514544	14.75093986	17.29765178	1.677440489	1.10709932	8.412681726	8.585084525	12.07205654	2.525317538	1.276450362	0.851666431	6.153300868	3.621805671	3.714992318	5.82400474	0	1.013789799	1.357479339	2.299923605	1.083347438	8.204533368	10.83148974	0.31701078	1.515310812	0.255272906	0.627072298	7.780470993	6.239578533	1.17491728	0.464294237	0.18230239	2.208484159	1.12449517	0.187809951	6.013340892	0.332691465	0.234455294	17.44013702	3.226054974	0.712616309	1.312122821	0.308136701	4.332171167	12.43914855	8.216704115	8.055632599	2.710370597	1.001326191	0.516615505	0	0.796597995	1.837224368	0.843098213	0.747972427	0.783452831	2.526419718	2.604901541	8.962741313	89.92007626	4.522335193	0.91750854	1.978104296	2.634955516	7.102669283	1.5321333	1.642209841	1.945547417	6.133858211	0.889362787	3.293774562	0.821860289	1.109347056	2.661852705	2.508163798	2.526963712	0.598927222	3.381389408	4.022094554	13.31887779	0.769680364	2.954903964	4.936406415	87.52919206	1.870870831	1.530240403	0.954924238	3.759279936	16.70559058	2.434390049	15.4100999	1.071532026	5.312978597	3.426259501	0.906444396	13.76300771	8.182302208	0.653049232	2.734648647	1.00459333	0.562887149	1.042329945	23.85846473	5.999276771	0.590953484	16.65737452	2.830564775	0.758354344	1.61780277	2.424998705	3.978972475	11.9755464	5.970440301	0.854138903	4.285446068	10.06820593	1.855059269	13.69296095	5.242127123	1.543614249	3.90586181	9.834785971	2.543879929	16.56871716	3.208422485	0.757655105	1.107366842	3.815859009	1.534598486	1.029313421	4.552421873	1.276841115	0.52703901	10.88289459	4.493342788	0.481243868	1.361666133	7.427566138	3.990396504	5.529595074	1.785845112	1.021056587	9.179116649	0.154010849	2.576792477	1.057268075	1.185459932	18.23312979	2.153237467	7.175954667	0	0.996868442	4.93648278	2.299611284	13.31265593	3.925781606	6.76495466	4.752835835	1.847906905	30.34792748	1.172559674	3.455868337	2.353284283	11.13570149	5.463273043	0.412673522	2.444130465	5.058050206	1.411648654	8.930218727	1.039964718	2.720152661	56.59128366	2.412789096	0.932373795	0.324239588	0.892463285	1.727879127	9.184658187	0	5.260366269	11.64146739	0.073746104	4.466218486	8.830896345	0.303169022
GCDCA	161.9146269	427.9664549	128.0303494	356.6361604	63.76178436	40.55583183	237.6040556	47.84624382	85.73293872	167.4782678	410.5389061	139.2359795	105.9582639	184.3547224	294.2557169	163.7853178	100.284085	73.43990179	209.8511493	138.7039389	38.6857121	608.3305712	135.5489396	63.26965433	37.11372965	71.3076475	79.96468859	116.1237159	137.5639949	99.02184984	320.3534715	52.10204107	391.7744868	127.2345742	181.9737303	75.10848222	167.121997	339.2057894	79.17993146	208.0030016	173.285125	88.29093377	210.9169485	65.71218786	89.07980799	82.20571228	243.0891096	111.3276009	36.9036519	62.77863385	103.9645171	168.2917185	178.8518782	102.4559248	336.9249081	70.22339381	397.3533853	90.44486762	68.89286657	90.41887986	89.11451382	52.36002341	81.24016564	64.3028426	424.7026736	287.3437467	111.7508071	171.5351141	249.0227523	785.6643884	115.5662748	150.987905	109.293475	156.8419982	74.03688742	260.7563878	135.6842841	37.16798884	356.7457032	199.9301256	373.5110126	264.5817732	129.8151846	120.0962139	337.0345089	146.5292372	498.1458149	130.3789677	104.4792261	54.0325241	172.9709577	313.8826273	159.1206515	134.9172016	35.02014352	73.63541033	98.63893437	209.0839974	111.1377883	234.5272131	1014.013901	85.1597266	129.4918168	46.847814	49.37415157	294.7914218	546.6390784	46.24348769	112.7819949	91.10330284	181.2522724	61.74475323	65.56370744	213.7056308	180.4124355	32.33380306	671.2562777	154.3601217	50.44850885	58.46256966	49.5767927	75.58222468	165.7985506	215.5904238	345.9314232	107.2479762	197.7164724	36.38580009	48.42772586	64.52085844	58.98033493	128.8898531	123.8364434	44.83702691	237.5261638	177.9840553	149.0783847	907.2309408	225.7831967	59.28803624	61.83911468	82.43039596	149.8485873	84.01475899	132.6245684	65.76668016	250.6796545	64.21596169	186.3880591	71.35681174	64.30643919	85.81802571	164.6457012	111.7655675	36.70874562	177.7358038	172.3314145	785.448402	48.6616832	131.488841	257.0335358	326.5418284	79.45526729	140.3915373	105.4014801	368.5476816	188.7391134	91.73677403	195.0282627	71.6954734	283.9470288	111.685372	137.2565337	258.8734075	215.0143311	127.0420447	107.9851398	115.9246191	131.0308528	169.0224873	361.5089438	187.3298557	59.36252872	361.2957635	254.3741846	51.9517031	170.5647098	125.3875817	170.6918015	310.8020858	265.5316554	53.51431967	140.4469892	513.3315248	115.4544026	536.8915216	633.6122148	90.85239844	255.6325227	229.8069824	158.3850475	195.7725451	165.2215616	133.8343208	141.1883861	112.0353794	106.2474193	63.54337188	565.0014562	38.76079741	66.65633986	640.9508516	332.3306657	67.44641472	83.9543103	602.2567955	170.3222227	272.5819849	105.6972979	62.22310054	396.0064746	32.25558451	400.6271851	132.1994159	275.7436291	521.0938849	56.80379055	154.6196442	117.6008821	77.00153776	276.1131603	160.6091464	489.6683005	1633.45035	127.3652472	486.8015854	173.7308185	873.7141808	96.43793887	103.193626	148.1406716	383.3125745	187.3124482	152.2927621	111.2407607	132.3811741	49.07286084	259.8308186	80.25948537	156.026792	944.6282992	241.654105	55.16756089	62.37296549	120.2200096	136.1722782	366.6175337	53.25509295	133.7449361	287.7394957	104.899469	258.7920871	521.255835	63.4103113
PFHpS	0.568459597	0.190717229	0.190369514	0.249757432	0.094219059	0.162119024	0.300147618	0.183585115	0.434588547	0.236228639	0.205579795	0.211344864	0.147514752	0.41595389	0.077426263	0.1931665	0.411216082	0.448027489	0.170733365	0.155582356	0.129446248	0.270401432	0.204864313	0.218304067	0.1749573	0.184416718	0.332002935	0.076418145	0.372777555	0.399114948	0.379876346	0.2083371	0.255373397	0.358770588	0.057650871	0.312503849	0.088273408	0.148864327	0.782365883	0.538048107	0.136413107	0.2376024	0.162027773	0.069023526	0.300922855	0.63571677	0.396608147	0.215294264	0.166330784	0.180290439	0.135596117	0.17696625	0.14703239	1.119571438	0.169921147	0.154258332	0.520352337	0.627578328	0.322908048	0.259248876	0.242927648	0.218402773	0.168816807	0.17463601	0.481715359	0.300115597	0.440856356	0.331179398	0.657985373	0.120877334	0.139834172	0.176536627	0.129475281	0.373549444	0.272331547	0.142019439	0.359126323	0.266782145	0.545792818	0.166587058	0.367785802	0.370446071	0.462155068	0.159702739	0.958839466	0.146595489	0.367298728	0.250192124	0.202337847	0.582839226	0.285307597	0.360938706	0.128286672	0.436142925	0.163924073	0.387971725	0.35282335	0.226182226	0.140558872	0.273011466	0.216786558	0.351402261	0.132475625	0.164472415	0.126042467	0.547222653	0.265319187	0.17621012	0.281850254	0.327812708	0.188467459	0.329000631	0.14573458	0.671770336	0.183280808	0.400167829	0.163103405	0.334788726	0.202318657	0.235669566	0.132891876	0.10081908	0.126500142	0.266204484	0.285104149	0.200194379	0.504526648	0.154315612	0.092511629	0.181091556	0.251037769	0.37242306	0.198094172	0.153638181	0.499801169	0.158576427	0.165326053	0.195016704	0.413767705	0.149187096	0.122723943	0.375779255	0.153542353	0.244290097	0.414172185	0.299169228	0.264173388	0.21103536	0.375109783	0.300902575	0.325486363	0.1306855	0.303090791	0.340692589	0.185913782	0.351827762	0.345228453	0.277932754	0.302238465	0.169059276	0.230222776	0.214513956	0.253351777	0.104380526	0.40370718	0.3508204	0.206007309	0.203983459	0.261432049	0.252041232	0.222226314	0.150574652	0.243125116	0.390461435	0.691346614	0.356092524	0.162383991	0.138567942	0.322122532	0.110354978	0.229530446	0.192360618	0.122506527	0.510522803	0.097954867	0.123674273	0.139432611	0.250580538	0.176197023	0.155489061	0.605650651	0.159973357	0.232048579	0.31815401	0.085703822	0.360781633	0.425651921	0.241411523	0.3874792	0.652764786	0.252964996	0.574651324	0.382481638	0.127950358	0.345139223	0.321838351	0.34336591	0.12874053	0.138907569	0.265096026	0.085832679	0.223215781	0.209415193	0.421625884	0.403884579	0.045160631	0.087254266	0.118613784	0.167112053	0.180791076	0.309384356	0.220932276	0.365469457	0.274373867	0.453061277	0.099497477	0.17635377	0.296594495	0	0.171402792	0.144614677	0.076978571	0.229116128	0.322214741	0.740694446	0.158251906	0.056798611	0.186787023	0.584896942	0.239380991	0.362717088	0.382432227	0.216228514	0.240389244	0.154291573	0.183366524	0.386120118	0.201917761	0.077643406	0.024124934	0.297482097	0.393335971	0.198751319	0.813781424	0.182698272	0.30267094	0.211223726	0.134960277	0.267970802	0.075427039	0.088333131	0.166169564	0.213410783	0.211656707
dPFLSA n=5	449.5082	138.2698342	69.39574552	281.3945923	180.6943795	194.735653	651.8513905	234.436976	387.9564218	34.90476395	296.1502896	159.3946224	32.17150848	319.9516047	0	76.45498954	566.4545196	408.8344924	27.59289327	0	299.2412786	262.8391786	109.6856429	205.3523434	58.97167118	350.5997688	583.6207349	0	224.7810694	817.4896742	550.5873134	328.4546404	353.529489	552.2722884	0	312.2735186	0	120.3296968	761.4364051	938.6764472	201.330649	1963.094553	139.0596646	0	530.894085	728.8613603	279.8902252	213.4541567	86.93227017	54.52933189	0	338.8126755	0	528.3432647	144.6213074	63.12583612	580.3686725	348.9385314	231.0185019	310.5738966	310.0485286	423.7194501	53.09644719	278.5090774	621.9748126	593.1143441	395.7718543	174.6671507	245.4455043	0	53.88963919	62.9467211	314.2996274	282.0378064	319.5022038	32.799621	418.3703498	306.0071306	635.4785494	227.9744353	553.2542484	322.4999864	737.4132706	534.9467267	444.6232913	172.4502059	1740.029921	436.8781346	297.9185496	567.7693705	323.0817947	435.7574697	24.68789666	594.396265	90.30253994	186.7398582	406.0416371	92.81802249	116.0293684	272.6253951	356.7749092	493.6332062	61.56041847	349.5801705	103.9919073	584.5957101	183.2124196	0	346.5907086	854.1634975	0	254.0615311	371.3712447	454.4357055	320.7242979	331.1501245	311.8758496	396.6448185	141.5673493	88.72515241	0	0	48.46209948	399.0212126	1570.287345	81.05115178	825.3334502	67.37959975	0	243.3162017	409.5988883	590.8316406	220.3924907	160.0372744	1288.361511	94.40065405	31.91567403	321.9886912	587.3879442	82.12492603	26.18431709	705.6864306	108.6435195	17.94139828	334.5069352	390.9274036	104.7258954	181.4336641	344.5282345	272.4446712	318.2870212	301.5539103	686.6826527	343.460034	592.8511027	502.6369545	556.1018271	105.8084634	225.1595156	31.02436105	130.6770866	189.4161763	174.5029213	0	476.9702954	144.3262236	21.99537852	0	341.4472778	280.1582289	108.9804612	364.514149	214.2582661	537.2638605	1403.749144	1278.562418	449.9309856	0	279.3630338	21.6923695	478.6201877	0	43.36422346	415.4211547	295.6515422	45.11605549	24.83654208	256.4402346	77.62304159	255.2548659	408.0839845	104.4777089	457.09947	262.4103713	0	383.6003812	515.3910925	609.3726618	185.3166895	323.4849942	392.3413512	557.5043286	292.6241402	23.8353001	348.7012223	286.0463642	216.2705078	33.03620468	13.6050752	223.5952609	35.78442762	365.9489391	341.5683687	451.5602308	452.7377701	13.56333053	0	26.2581707	146.4069837	275.5672362	640.1933226	309.1755668	333.3071891	164.6110594	482.8049294	14.21627001	204.8493961	341.5258616	0	97.20439793	173.1549398	0	125.5986568	174.4663177	664.0170993	165.2988313	0	110.998896	669.3093481	350.5974811	173.9900844	486.221408	143.9157996	402.4247818	24.70973396	109.1556302	540.1445856	150.8192067	0	0	483.7878595	292.1178363	389.6064986	1653.634766	107.516614	361.2958728	246.9384425	555.1515509	196.4629751	0	327.0790743	0	259.5994306	103.5995197
n:1 FTSAs n=7	724.0565163	908.5919483	1152.803362	205.8924579	705.2840132	592.359301	749.7006882	655.937315	709.4687787	804.079285	956.4257979	855.8391744	938.3595809	442.5811859	1097.52695	676.4540526	1052.267763	580.3258038	557.4368049	829.8167616	608.5914837	515.8956441	644.5405641	1152.164416	649.0838191	881.9184799	580.9151	506.4370836	988.2513596	742.4213016	1025.030936	1013.641992	749.3484759	962.1021434	578.4711615	756.0694216	894.5648418	411.0685891	781.1038921	1019.051921	429.7859807	712.759975	1014.104079	807.3757091	735.8338125	984.9529497	732.2768196	756.8445201	322.4933207	755.9704905	727.5406261	630.366412	445.1760742	123.1191951	954.1295345	654.8028289	525.9343602	599.7985124	612.3667808	640.7546169	523.8130424	1002.104554	691.2971287	659.6181837	631.1994327	733.0948713	510.6276351	550.8225097	720.6857999	655.8028172	686.1259926	839.8046991	644.257292	383.1980196	851.8597959	836.593864	517.2273779	632.1899144	405.1023328	477.7392265	831.1447088	628.8157168	692.7979704	805.5067834	116.9173874	770.0839024	1229.090506	630.6991017	404.8596751	139.1996276	562.7602243	589.2188985	849.9941574	860.1244157	765.8334361	285.5348572	559.5377338	822.8694405	719.1595062	647.7121822	767.9827864	497.3834752	753.0688807	747.4015155	758.2900185	911.2253073	556.869415	674.4270849	637.3215959	785.4595411	630.2483176	455.1769408	785.7896855	826.6595281	730.3891873	563.024517	775.2924049	677.2267499	540.2514596	512.7096559	511.6916264	845.297242	670.1613585	815.8938214	585.9449883	661.3576014	711.7972636	492.2554075	540.1507441	667.8588413	638.6617434	684.7421357	712.1142684	394.0193255	589.8010261	340.369612	551.9507073	819.1879563	499.2020535	710.3754936	462.1752314	569.8390522	447.0234812	346.9815507	880.9480922	806.8923997	540.1841204	278.4242129	681.1131015	487.1594645	603.5004155	632.0331942	411.9349209	707.8973724	667.0089991	793.3181744	870.7214507	750.6181197	373.6469562	450.6574589	418.093827	451.4311736	991.8625056	178.3357339	682.6139682	508.7950582	467.6058058	736.4977796	740.6742953	985.1021389	754.7129672	706.0538379	498.0002737	648.8475081	597.2027809	1047.287355	471.953092	637.3022603	624.0504082	369.3988882	897.2084985	498.8169552	1141.7864	516.9986273	481.1593403	569.9786253	335.0070527	351.3811187	556.0648475	931.0916147	449.2544194	455.2630835	668.350508	623.1873508	999.1094569	748.4238262	513.8754752	536.1396457	581.3255967	370.3275355	707.1365818	694.2655785	359.4482394	880.2806089	683.7405171	715.7709648	699.5022474	314.7238042	364.1681373	880.4834439	615.643053	677.6107261	582.5535734	437.8404663	892.2239939	325.5426489	531.1300029	887.126344	524.8715201	696.4875389	732.6079969	508.3942427	605.3119753	652.0502892	752.5554631	491.4240617	313.7805574	620.6930314	592.0789263	426.915571	311.0803167	846.3547558	517.9499334	305.6207717	656.1445688	656.2962223	665.878052	547.0411667	659.8456458	727.1277344	584.4008816	743.8421911	561.0924327	615.197559	601.6530492	447.4231219	615.2098923	400.2609039	417.1468894	739.6538534	481.6839884	557.4236897	506.3168445	650.4554559	671.5100873	869.0644061	521.0572676	863.1126562	566.3492193	442.2521693	895.6348148	796.4419595	753.5782038	600.1921516
GCA	58.62848515	59.64466189	60.09303311	169.8719638	21.53738844	24.92450528	39.8532831	16.92551381	21.24574946	71.08704699	242.0786364	37.99803909	38.5861009	58.68705521	216.6080178	98.0168492	65.55095102	27.42214976	75.17066778	66.82691263	13.71308206	41.24923712	53.34913289	28.31959767	11.03259244	25.27435106	38.8688048	55.63596228	137.0150165	23.45868555	184.1504138	13.50107764	139.3079152	25.88907357	88.64013942	43.55474601	87.64209112	421.3778239	13.59290799	83.69031564	39.74515809	48.51092308	119.5846543	39.64389562	56.26513535	25.75660585	49.21398633	56.46206046	11.50770026	41.38427369	26.33494459	68.59538261	127.2195351	57.15688114	108.0166608	17.11326053	143.626409	118.8218403	32.9198255	14.93252075	8.82486053	22.60733909	8.557678737	11.26430346	102.849498	96.52670248	32.44700607	89.4946909	58.30682526	397.7974631	100.4875781	19.28639419	21.78494975	102.3569396	29.71829546	98.12364181	67.82060321	11.50039956	13.36922476	82.31248291	415.5639088	72.35258044	75.1732276	39.53610002	166.9561257	18.95086006	140.315164	18.22347747	64.49832009	31.98230714	94.58629561	113.6004465	110.6476257	8.406559087	6.357344213	17.89941569	30.25069533	108.2764971	26.64782723	169.4307878	2373.327629	92.58100059	55.24863824	19.46546362	11.83869496	160.6020135	344.2766029	36.41071626	22.84670377	36.80095403	13.60742871	29.60354716	16.58269616	95.3951774	51.98699129	11.77264126	217.8706359	39.68197683	10.7641962	16.37987697	5.937308386	52.54665778	38.32884637	68.43564879	173.52012	73.26969449	45.98566299	4.400910694	35.36933815	24.48029576	25.34571532	50.63160997	65.34583055	20.35146731	89.44959198	83.48653862	101.0808364	167.3873513	139.8989047	27.818757	29.38729652	41.35504376	38.61529764	22.18185088	51.82411473	34.51511156	174.7315646	22.42551211	150.5694939	91.50099781	35.81815003	57.70409245	101.8652779	80.76512741	9.947306122	44.67267267	48.86416481	563.5973901	20.4156394	34.06246369	95.42456812	124.6972575	37.71953177	40.22221538	34.35124219	193.1534512	63.70002779	42.88157735	65.71843415	39.09303168	93.42715217	32.61835242	25.53832234	98.49477818	97.74855788	77.22629312	8.357180967	28.75999835	72.53048721	93.52882969	281.3425749	230.6833258	18.41789813	69.50178322	124.2882747	50.11202105	139.079594	109.8487195	27.30562648	587.293731	54.55539249	27.05811503	70.88581527	453.3647247	25.81928202	387.1885269	300.0800793	44.07241817	55.56098316	244.8965186	68.14350776	49.77376365	105.9372209	72.63439186	85.78214237	36.4087873	53.06275476	30.4024903	240.3333002	22.82020431	38.34452367	386.8070839	138.5295162	33.22781473	27.20891689	280.7668649	32.3387142	463.3469005	31.4190496	18.42659936	167.9188811	7.357624604	164.3261395	84.87511164	120.2301911	194.7690051	26.42479499	84.02986241	42.07809751	17.77732494	105.4411905	37.08160365	136.3985233	1436.124156	24.39152243	115.3858369	73.35466087	653.8527304	46.51294095	35.42242468	77.6718587	114.9242701	38.25366421	40.05616498	42.87651147	50.21397324	11.85724082	99.2749126	30.6233602	101.5290228	278.4580317	116.3065658	20.67876329	60.39324575	91.72828428	51.28699957	330.31864	49.58399287	49.06473804	219.7159627	67.62900208	84.31881117	120.0258835	6.208658126
PFDA adduct	0.492182835	0.419407846	0.342893116	0.88563824	0.25514096	0.336137931	0.748094164	0.340820824	0.577795394	0.366700964	0.709534071	0.170848897	0.385678022	0.486321093	0.266552194	0.425914225	0.418587865	0.771180039	0.376688774	0.806264813	0.33767747	0.383231542	0.509896737	0.365333822	0.212188386	0.303643675	0.318598944	0.300394111	0.227065522	0.569620251	0.754052788	0.481732078	0.690601869	0.600599739	0.245523466	0.522682647	0.410395065	0.622108797	0.826190343	0.997217954	0.40214371	0.435308564	0.438169768	0.394929408	0.723421636	0.448588266	0.345092339	0.373837699	0.429283843	0.344362152	0.397946838	0.409210719	0.513606128	1.194483505	0.368458781	0.450808833	0.566304197	0.585331959	0.427335442	0.46416368	0.454933069	0.635019142	0.365626079	0.560384845	0.417119876	0.336884746	0.623432495	0.47054911	0.880792406	0.324834378	0.398152995	0.156137276	0.620553023	0.77964617	0.551328418	0.400452938	0.438289926	0.480420779	0.338662794	0.31331419	0.526046853	0.530814407	0.607869565	0.415622953	0.601492344	0.288175004	0.924926609	0.418590221	0.359832022	0.460466099	0.414693153	0.411541973	0.33250575	0.66725342	0.581025032	0.442465938	0.54395872	0.33931599	0.257364304	0.418057871	0.493310754	0.807256293	0.455007754	0.443732144	0.266731585	0.533038485	0.601184842	0.496066685	0.45893199	0.978153223	0.293080643	0.530315481	0.425032144	0.933994204	0.391848087	0.505989748	0.540570954	0.438033598	0.516826661	0.442358905	0.187459023	0.471704123	0.167265457	0.453717844	0.491587502	0.371578189	0.418285994	0.465156736	0.322542926	0.370078804	0.459791178	0.696932194	0.355590967	0.385037007	0.414167143	0.119726874	0.356658975	0.377542134	0.570215139	0.474912253	0.315125496	0.504073993	0.31587445	0.246803225	0.479834596	0.475770022	0.371863133	0.830165735	0.782497568	0.393053982	0.578590219	0.440342801	0.442566608	0.52624478	0.408383628	0.291158792	0.812002725	0.913589461	0.355777522	0.272137371	0.369337137	0.300866016	0.387628562	0.381114018	0.541823715	0.411722992	0.39084334	0.34971732	0.6621363	0.553503106	0.388835657	0.325375423	0.392577308	0.462867479	0.795059649	0.401518486	0.261426499	0.215299754	0.286886114	0.79366809	0.302298089	0.22880375	0.366474464	1.235789849	0.251227884	0.311290361	0.554163546	0.475927036	0.236447749	0.337758869	0.514004296	1.131098378	0.435293515	0.548659341	0.3559632	0.44875938	0.504467869	0.766435754	0.709268581	0.668345698	0.745854009	0.609916428	0.473560711	0.563854434	0.560794565	0.321844822	0.318499161	0.255993419	0.61460862	0.770178789	0.278890223	0.319273297	0.550871884	0.586818108	0.296267475	0.284162756	0.186644451	0.452083168	0.655900605	0.484679916	0.521634572	0.339121135	0.617999795	0.288244538	6.567997594	0.275155135	0.650047812	0.692405423	0.121414543	0.296923594	0.50075651	0.335751492	0.365720316	0.657328545	0.761582959	0.413567395	0.383800923	0.250625981	0.575694147	0.66398753	0.465643996	0.374952101	0.511349073	0.462787756	0.419303943	0.172253846	0.661077615	0.357350479	0.403959718	0.208879742	0.54207157	0.524684075	0.386910733	1.377983965	0.407242793	0.355396037	0.51592772	0.349099138	0.285997055	0.174415061	0.297355315	0.236996511	0.436237051	0.277555208
K/d-O/CO-PFLSA n=8	553.9393499	645.4233878	648.3426674	233.5646247	574.4917532	365.4875091	575.7323155	515.6441361	483.9887288	813.6000619	617.9263442	495.475293	656.7468063	316.3858411	614.9908124	572.4093599	487.2226584	411.913995	363.7191659	540.421938	439.3135981	347.4998318	547.2550489	801.8199145	469.0008378	575.8930671	529.4984881	411.2305363	665.4382182	493.1349196	708.6598003	647.852915	405.8394773	692.5085466	526.8697019	513.5798677	590.8496785	325.9039203	534.0026437	779.2473587	451.7036588	605.9921624	716.30936	409.0185839	471.5246896	635.4964602	432.0748359	483.8977855	251.6108252	569.820146	544.108553	547.8010977	482.8124275	129.3649808	615.1381701	465.3343798	447.7309116	436.1563304	298.0315314	426.0149771	328.3586041	475.534266	472.4224684	379.5014834	316.0544431	364.4931393	434.6767941	354.5697794	363.6554687	297.2992031	420.1551689	528.9059915	566.722093	75.91205374	454.102446	526.3974717	332.8215338	334.1361676	272.0122891	433.263045	507.850083	392.2604439	739.8998727	473.9476157	101.6092177	473.517117	910.1246197	292.7037941	146.4206271	470.4784521	292.5351467	571.6655454	365.8138019	732.8737109	702.2413187	206.3356625	246.4835858	433.1972579	537.0817557	399.7644811	506.7236719	360.4989918	542.6464939	513.6221793	595.6374065	496.8266771	335.7286983	305.7965533	486.90698	613.0462117	410.5421437	342.0817744	458.9169797	457.9472001	701.2215023	431.2337542	660.1308366	407.0510574	395.5532197	333.1221478	383.0234116	593.9565942	510.7292247	589.1269018	469.5698361	420.5652919	551.786101	546.3610736	407.1493326	306.7337481	418.7197614	442.7057515	193.5094164	268.6441811	568.6326523	281.0930251	462.8844108	337.9703413	225.4938161	405.8298842	361.8403783	412.8621704	329.466211	284.881199	537.121723	550.6391507	293.652995	164.9185802	390.4772296	262.6375586	357.4404885	411.5617582	346.1940841	515.90656	445.1873075	543.4561751	686.9195681	444.4714141	206.9481475	357.7679806	270.7291029	287.0407485	448.6522953	223.2899622	473.5039244	448.7087224	197.9273264	548.7199599	419.8526339	568.4511288	460.4561106	384.6038248	471.5377464	505.3838515	408.0644143	448.854788	272.7590914	687.8085373	398.8323339	353.5685244	399.8824313	296.1285725	323.7928117	542.0878531	390.6168233	331.0027409	358.2950468	209.8455126	295.3003761	321.2585341	542.8891384	404.5351909	488.2010475	347.639221	400.5246622	496.3226409	715.8919152	303.9765676	324.516656	332.126401	327.1206283	325.1457894	284.0557188	411.4074101	559.3092921	556.9841289	371.1049891	246.3621793	279.1065956	663.2473578	244.8732721	366.5376967	495.2099293	374.3216008	555.5848918	285.0120764	288.2621592	533.8398492	344.15924	206.1113518	562.2511358	402.0882592	330.7087692	295.5109443	585.5463494	430.1210186	288.1858576	392.6699051	383.1383531	333.1311153	277.6453723	665.9336297	393.8526487	253.8848012	458.5838728	397.7056694	454.487951	330.159709	458.945688	538.328814	528.6570362	505.0062719	272.0666874	491.1170088	494.8121279	318.8367317	370.6412053	320.2427927	352.3929834	350.6172577	394.6585846	378.8232566	568.7858539	508.7469701	494.3224292	439.42805	272.6293752	623.1740065	288.7875993	285.4326186	370.0630197	560.445173	485.6397736	325.381645
TCDCA	20.75927059	34.71860876	14.3509935	14.03698413	8.841018254	6.550838694	12.96149121	0	3.518615136	12.93403342	168.425756	22.72361599	5.817253418	6.372575187	52.8172969	14.43239795	7.472699147	1.192426699	13.88280219	13.89074578	6.115593568	5.043426731	7.057173631	11.03212618	9.366092804	20.12440936	9.313236545	15.31075065	16.37090966	12.23427169	56.19873149	4.989486028	47.46906925	11.31872797	11.79138974	7.029247833	60.24948819	25.51861611	9.542267481	9.403786549	2.729068686	6.897902394	73.86651032	4.43860204	65.58599648	6.694135841	26.12630044	9.905023125	7.126549985	3.91243706	13.31157467	10.25943507	28.99408505	2.088048074	28.70756803	7.966419616	49.66699849	6.808588305	15.28564433	10.51147639	5.394572169	2.454547701	3.010797501	8.687687443	36.43415403	31.18665903	8.264493758	8.667210734	19.75399818	151.4175451	10.09220768	2.97563988	2.748000563	14.08129626	4.596322702	21.14468561	33.14185252	5.066579481	5.603367866	34.55971525	81.50686716	34.82689513	8.401007017	8.567954175	12.84225531	23.13325865	266.4652093	27.7085359	9.099375072	18.97810813	11.60705053	35.54893235	15.41867144	31.5729106	7.733745749	3.670221545	0.75853801	13.97048476	15.63479091	14.41127713	245.3451266	5.769304331	29.30706621	7.152185549	8.921989778	209.6214058	56.08641374	8.320155822	5.054106348	10.17004047	10.50720611	6.482425994	9.337129221	28.55027378	25.00249807	0.73504354	29.77772372	19.64938757	1.499826048	0.60163947	16.11151156	16.85479572	17.21461451	45.44284145	18.80268178	14.6520377	54.09709987	8.787169709	1.923159121	7.090078267	2.923618637	21.54329018	42.82816016	5.834054559	36.42977232	7.970476558	10.97278963	43.69605828	29.0578658	5.11978181	7.307476017	4.394726056	7.70062254	6.499157456	8.039787278	6.047802141	22.01598408	4.017946273	18.03463848	5.056241192	11.02228793	30.03787154	31.47190566	21.0772879	14.45933357	10.54437035	7.094677314	98.76671942	11.05563432	4.64610697	5.13472209	21.10989074	28.0761891	10.94856612	2.290351731	40.15645	15.28244404	12.59457647	13.18984591	12.44840508	39.45631705	6.341720444	10.8711243	6.843290948	20.19968943	42.92396198	4.649478469	10.19842623	54.48127644	26.02126269	40.07536485	23.71003707	6.094881835	12.73313651	21.84765432	6.101889395	14.03602406	9.213685158	17.09807266	119.1995656	32.29494067	7.062634212	4.489695905	193.642916	4.745990366	58.81656008	125.750142	31.77102724	14.43088907	35.58576632	30.3476464	15.3200278	7.932577474	25.3011572	54.64172209	8.784630531	3.871187639	5.994746746	35.70378093	4.233526377	6.018499113	63.77601395	24.39610758	13.96940051	8.53153627	68.27056734	12.14130196	89.5262379	2.102445674	5.336038406	69.391195	6.259872944	17.13910371	21.84833269	51.33983483	182.072048	3.513388354	13.51273433	13.56687131	1.0061494	4.482605387	5.084291749	82.63403012	272.5843841	5.108085968	62.06697694	34.14063232	80.53708829	7.237130742	8.15288063	28.6902238	14.65632563	3.750920201	9.148757838	7.942781762	2.594030554	5.899010611	23.92463194	3.399480724	15.04647693	68.43402945	20.22940844	13.85741851	6.874248104	16.41056802	11.41598429	61.05662718	10.11133997	10.02555329	59.49226052	3.137221956	43.33946163	40.19325715	1.228922168
TDCA	10.35928555	48.73811388	6.28128697	7.393389663	6.109359372	13.36403753	2.565792995	0	2.6155853	30.67411453	96.66753645	27.77470761	6.482698232	5.928004026	64.71257436	1.810298966	2.727086318	0.557973235	4.217868748	5.906157592	2.760606423	3.415326549	6.17958283	18.98606308	4.093089011	8.735737456	32.84198389	7.660655758	2.71995739	12.16143941	23.52087364	7.098272009	5.245715817	4.341951039	8.695624422	3.173034064	14.41682505	5.173543951	3.883038652	17.38317756	1.863894922	13.3380401	5.055715203	5.298264439	28.25982592	20.34679355	10.6862514	11.45393365	2.695009331	6.739053611	13.46620884	15.54908877	74.25575973	1.31182238	31.29034276	16.54296055	4.021086845	7.801858535	6.077368958	8.424310823	9.729512746	1.148558585	7.008341989	3.533298136	20.94051718	22.03690377	6.300430094	13.27015632	6.372517764	123.2505274	15.73761933	2.191109374	8.386793567	1.58367475	4.811447735	11.73618937	9.027464166	2.370808828	1.386245488	35.41785187	121.1546917	14.6152906	23.18658233	4.372490463	4.653571475	23.82854122	151.0528725	16.98336168	6.802552488	8.160998212	3.684217186	27.47311199	2.14272415	13.39118861	3.49104759	4.065726049	0.342407467	28.98861533	7.520944223	14.01668962	60.04090934	3.704365391	4.483615421	14.06556478	3.559538226	129.6965274	48.33633267	27.96114843	2.364972264	18.70309455	10.466998	10.45505978	4.755947984	6.353065129	9.78932477	0.343949546	20.55484064	11.51059651	0.677028219	0.281525667	6.590856482	7.269131678	20.20947119	25.34130883	11.77266976	4.761725012	27.70415517	3.495312223	1.884374493	4.174912278	1.368051345	10.76030153	18.14011124	11.48917543	41.78683595	13.09694919	9.798263031	10.78610087	5.429653965	12.7934136	16.80274972	1.983799093	6.893165374	6.220721469	8.962697977	14.95285288	6.985495264	2.062087441	29.84946451	2.307437243	26.27491556	13.49769327	30.78785623	19.81738812	6.120519573	9.693714663	7.824432931	83.60749147	4.897865327	13.81432459	6.992958231	6.983371124	11.78101693	5.633348353	1.111642274	30.1245906	4.310281611	23.1147106	7.61113329	1.965122235	36.54486537	16.15050062	25.35339781	5.13243352	29.66406692	2.908184485	4.923668767	8.188486972	26.86835182	7.621797136	13.74097975	24.36956162	9.145543181	1.036297862	7.786695479	10.39775688	8.738563929	18.04842369	24.53268241	41.26265686	16.91347505	2.937816623	8.083269028	277.2575295	6.232696603	81.47698021	105.9956869	21.51692824	8.826298061	21.79326461	42.33477244	14.94366344	6.734673282	54.23248442	59.50863132	16.01259711	9.226721312	2.063826711	14.36425792	1.980997584	13.47478832	23.25086772	15.22506905	10.15530755	13.93493871	64.885848	5.001383175	69.86915487	5.504501888	2.90748929	63.56042442	2.191735818	8.267848099	15.82487267	1.269061893	86.1851374	1.188011542	11.38056669	2.309607742	1.464952198	6.295206975	9.933747985	38.78000387	115.4666366	4.67351017	42.05049603	18.5982028	71.9763178	13.58771695	19.80841997	16.9976379	16.03377758	1.693182237	18.12203934	12.50842236	3.227411606	2.263863135	18.46364522	4.335125235	6.431927053	29.18445261	12.72658604	7.360923761	11.55758376	25.17260813	9.759418758	55.97943332	10.40232991	5.761298725	35.63995287	1.468002927	21.9828169	21.53960342	0.55474099
L-PFOS	14.22558722	9.81103226	8.330230936	12.97371902	4.382764189	7.226135755	17.36018432	6.659452767	13.52234842	8.582396216	15.74946025	5.097583624	3.266995852	20.39806281	5.042885989	12.05423409	16.86366728	16.78610316	8.073450785	9.337350225	10.47858986	5.380224156	6.529771981	10.09363971	5.323521089	8.456512176	17.69094123	4.620353616	9.983899378	17.01415159	15.66337293	10.18937624	9.985481082	18.94981587	2.391769909	11.32023406	4.079424558	14.5055574	24.82504387	27.59539745	4.882478987	11.31718435	6.805403419	3.889871871	13.36564641	20.46790534	9.964551599	6.486959761	11.97495526	6.813224713	4.957550439	9.571371555	9.616232768	58.00803903	5.659628019	11.2483628	18.84921876	13.63015696	16.19400333	10.3723847	9.988694949	9.425774203	8.843187117	11.53280139	14.87841642	9.93359479	16.95894754	16.79818981	23.13790665	4.737628054	7.059497584	4.76839981	9.748745085	18.19396175	7.707742177	4.082343999	17.7555976	9.967269914	9.107775875	6.519709382	16.31062304	11.25864818	18.81510321	8.629553464	23.17944913	5.754314747	20.34981971	10.09266247	9.73362184	17.67402348	9.773564427	20.47886086	4.42334752	21.74687357	9.784581105	16.73050517	10.55574859	8.944852947	5.130051577	7.904079397	13.13714561	18.2918153	5.327869349	9.218253938	4.109657965	24.46626283	12.51114492	8.047357121	10.52588514	15.42319061	6.050199073	15.43334119	7.397394412	36.05944631	9.815216552	15.64247163	11.57372594	11.13221525	7.656969936	7.774188574	4.405310284	5.262245292	5.144311633	12.9087023	13.82243988	8.224271496	20.84834587	8.119755205	2.807771944	9.803852385	11.8923187	14.31269696	12.77757859	7.300700979	16.84796463	2.68378961	6.078837961	9.959537936	15.94103722	7.319343603	6.428030455	16.76928146	9.695192415	6.794249408	15.55098499	8.913244524	10.15842901	10.87902924	10.16732271	9.751164746	10.41024275	8.664901305	16.42163803	12.49547902	15.15795441	7.347143925	11.12059698	10.08431729	11.25165974	5.960725334	9.953253287	7.962495666	9.259439818	3.138008974	14.61778093	8.835185508	12.60121777	8.149608349	9.802080658	13.44885172	8.81769397	8.599619632	9.640891475	13.42004951	18.24323905	13.90575755	8.971613901	6.834819031	15.09008928	8.043693666	10.15919382	7.952458098	5.458735738	24.43872476	5.488596474	5.129410738	5.850066548	10.16347966	6.593717908	6.828043602	26.08219039	7.004128428	8.055986869	10.25885252	4.182919867	12.62299245	20.58467342	12.80335106	16.6855948	22.38454269	9.126342734	19.15146688	8.925217844	5.258038767	13.58526437	11.12616998	10.12990991	4.869637557	6.297988301	9.607747511	5.140985264	8.565970195	11.52651438	12.49183522	8.646258767	2.622124751	4.08405645	6.244646442	8.589377186	10.83776921	15.89885381	8.693500996	13.89246069	11.73549196	25.0725923	4.533837551	10.40627627	14.07366745	1.934941577	7.729035343	7.146283185	4.987548009	5.681836489	11.49031742	31.68378182	8.868753036	4.346685967	10.32376776	17.65496953	14.26650973	8.171809826	11.66099045	7.53050515	10.4867376	5.852244643	3.414274224	18.76977463	6.374143473	3.725194291	1.416288778	18.92527221	14.65095918	8.616080502	39.23089137	7.245858176	9.409059911	7.946754888	8.343644894	6.653767839	3.342867921	3.814188567	6.335889477	8.639096963	6.584230281
Br-PFOS	28.35579037	10.43247267	10.52479429	15.13605023	5.375902263	8.854983215	23.30817238	8.579630318	27.55740921	19.62153734	21.17205831	14.53915608	5.217860467	32.08886313	6.543447389	14.50956926	30.50621596	30.16877472	15.13195493	11.75340938	11.31932076	15.07299092	11.08795326	15.8632569	9.332402846	10.90430525	38.73706814	7.009874142	15.27886228	25.307114	28.98086177	16.03703623	18.59666342	32.33499772	4.111414447	20.10987431	5.700953192	18.08359763	36.46747998	42.87828626	6.923135658	20.93431376	11.11960007	4.636620411	17.02191769	40.0826691	19.68561323	10.35066854	16.52403189	16.00342114	10.79877731	14.9106146	9.56062097	61.18826024	10.52500943	13.08033225	24.71134197	25.50789208	25.84169931	18.95271939	12.19042433	14.12056539	16.08784346	9.911186639	25.09610495	24.14791974	40.85738348	27.91070508	34.98182815	6.702045178	7.633674351	14.59516437	12.34269032	21.53702261	13.46399103	7.635035648	23.89308319	17.98192417	21.01982018	13.09594524	26.9501707	24.07311627	34.21470852	11.48143432	62.1718191	7.62161302	23.60041961	15.19137188	17.56711505	32.23642282	17.54503657	34.99931518	5.238224449	44.97580342	16.03456167	37.73837844	20.86756164	13.68747738	14.67761235	17.70546624	22.14429607	21.83651454	7.347897896	10.03728206	5.696914682	39.57012978	17.69123285	9.660782312	13.49434041	13.66795451	12.06159326	26.57189376	7.175827799	42.75132114	15.28680866	22.98201483	13.50675037	22.6673905	18.13365276	18.81839298	5.288942715	6.820816701	7.889102597	20.21903388	24.21667657	11.45958543	45.7660262	10.76372556	4.239832859	12.19902223	24.30165252	26.65919551	19.43554347	12.57613664	29.88904901	4.55365344	10.94604708	18.00161152	32.83019377	9.574884246	8.013290146	19.05135242	9.336374632	17.4145542	40.63818605	19.61769841	20.03404212	15.76015916	24.43448787	19.50900624	18.31188026	9.083165516	20.66427882	15.57464295	13.52099205	23.47616655	21.423291	18.32803938	20.29012429	11.22330643	13.21238559	9.441662924	20.34439588	4.770040481	29.8786653	19.86551611	16.06151953	11.44261636	13.90495495	12.0185317	16.03959419	11.23948515	14.50912385	34.10216807	27.01960909	21.87539801	9.814293838	12.56627616	24.49948014	9.524296906	17.1794103	10.09269718	12.41580907	39.52733958	8.024949176	7.836232795	8.856686556	19.20002363	15.68048007	6.170883548	47.2370333	9.149188049	17.13662441	16.7658484	4.989848159	26.11256688	33.46979771	14.4459911	26.02465103	43.02285864	15.85751439	26.02793692	16.30167907	7.797870937	24.85662663	27.36431222	21.05303882	7.000655429	11.09666449	19.79065361	5.891891043	11.29233169	14.65750351	24.48916506	21.17601886	3.711195173	7.849148231	10.07895098	11.69937555	9.60166905	31.77689677	11.63270211	23.73016088	23.0401571	44.05906357	5.855095957	11.62486036	26.52435699	1.973175033	12.79110237	11.445241	4.374810671	15.74121114	17.69429097	41.33456319	11.19186971	4.285770762	13.33480183	32.56751745	24.91994964	21.90600803	26.21471273	13.56286897	12.28457008	8.873151115	8.159935115	26.46299472	10.81503679	3.947002829	2.821407065	20.4685036	29.5535566	12.39508692	51.99028117	14.79905861	19.19542433	13.33449493	11.02022625	17.52283529	7.727190793	3.162595754	12.027171	12.82064407	10.76834343
dPFAm n=10	570.9424865	883.9106216	901.9892067	839.8660146	989.5617765	648.8628768	588.737637	792.2078146	831.021303	805.1536994	962.2364264	976.281092	764.1689569	388.6525912	1061.026916	745.9318244	1177.018679	590.4786953	520.3287935	1184.401697	795.8670862	425.3317828	584.6206402	1509.810384	608.7901334	936.9072622	738.4698902	735.3054721	713.6610397	1051.376562	927.4278094	1210.029148	786.4640627	967.503658	763.2577164	899.2994601	959.7193478	382.8193992	249.2006601	823.036542	449.409403	873.6877675	953.8265569	564.5450992	931.882393	631.7788965	693.4971063	1001.709609	458.3541103	745.891153	660.5871407	660.3879112	440.1152168	351.4656173	1026.08134	824.323278	607.4481663	829.2386746	540.3809579	624.1773589	703.4179032	667.9175765	695.3646759	674.3767196	711.719914	909.8893022	239.5781979	633.0978953	965.7432483	865.9260042	642.9302871	691.0821204	259.7554253	358.6348115	927.4531221	792.1672111	768.1032803	693.2275482	575.1249541	781.0347307	839.3346109	738.7890435	599.381677	950.4870887	352.7932569	922.576378	1589.551557	774.4899115	511.1715874	882.9713559	863.6014715	691.6295367	882.0113761	613.0758744	771.7372691	266.0725	545.1025978	532.6138174	822.1493061	816.0352715	738.8544029	383.7341077	851.3597747	786.3999561	410.3240385	1335.263143	859.0124038	848.6265218	528.4172317	647.1774952	776.3769413	364.7787725	971.8844283	725.0249131	749.5502519	379.3136998	874.5922487	743.1113623	458.217671	703.7512963	622.7560127	956.9927398	476.8350827	473.8236832	495.7787361	707.2584906	745.708347	854.563372	698.8135889	830.0637682	776.9140664	529.5295052	840.1527094	472.0719438	615.9706277	383.3052219	843.2525971	795.4355059	557.2103219	518.8535886	583.4784241	482.7506027	525.8954632	441.1952079	1055.321711	824.5614788	740.1970432	287.4150789	323.0743111	511.2602453	831.3621772	668.6102677	404.7606355	812.4462836	595.6797392	589.0451986	561.1672094	865.5791595	474.0259276	605.2751077	543.7779897	480.4240936	1059.08202	761.4661356	839.0144925	606.0785231	632.7475887	918.7692072	1046.048664	800.4911372	973.0802277	874.4452243	927.82783	820.4027364	714.263068	1305.739324	574.1098459	871.2913349	676.2582505	388.622673	895.8456614	643.6987786	738.276609	617.1444871	542.4099088	503.1725029	325.910405	386.5388413	660.8141101	830.0774613	487.1976159	702.3722714	699.0981292	683.8691314	1031.4382	916.1168644	839.561917	723.5689854	375.0197686	486.408264	590.5757494	947.3679864	138.9025347	945.2535219	942.2873438	783.7855376	724.9009475	495.4202103	166.3115794	878.2977092	585.1070299	313.6538948	707.2104258	704.4091908	832.3473166	324.501134	604.0436114	844.1761621	371.6350983	565.4085985	1071.469408	401.3614008	892.1539056	565.8277707	671.7079915	454.4508173	367.6362501	486.4561712	777.9846365	204.5695924	270.3655615	870.8137278	583.4052685	274.0746725	580.2967538	577.6060325	375.4317253	791.4164653	798.3604527	674.3303274	868.9933344	785.1931932	950.9148151	470.2363273	576.6482995	400.9188417	347.408512	424.8263935	406.997865	598.538021	456.5145322	414.4399548	986.9667119	475.1860925	1050.354812	1042.735044	519.83353	564.1467925	484.2926495	650.3567453	636.4678717	788.791522	842.0615726	583.5969252
PFDA	2.173383209	1.922520886	0	1.622241807	1.842401032	1.300212519	2.142313025	0.216972989	2.651385008	2.859075486	1.933987953	0.396263031	1.991469152	2.094309816	1.722407699	0.986569022	2.498510355	1.323292716	1.111057484	2.133461637	1.871879975	1.775487268	2.246205828	2.851276784	2.198084695	2.637796082	2.335697556	0	2.524790141	2.262596911	2.864629413	2.188194483	2.086069792	2.080581181	1.834883938	2.381822795	1.690359767	1.404422258	1.919783454	2.588930263	1.626814268	2.703925756	2.578539384	2.085456749	2.29006902	1.761674665	2.045898879	2.105724847	0.980752313	2.136595662	1.816264968	2.636227168	1.33706246	0.843374736	2.128487978	0.095729959	1.330314673	1.804565104	2.03631232	1.690262744	1.369407722	0	1.830887301	2.10107437	1.336454241	1.675749187	1.748520043	1.63881154	2.155878835	1.428828615	1.793452828	1.554237598	1.696807735	1.37609372	1.817120204	1.178284682	0	2.288294906	1.090638351	1.195664264	2.302271039	1.571955584	1.945465248	1.400967503	1.4033439	1.97044924	4.708279051	1.23577446	1.80982738	1.294652508	0.956547749	1.566252046	2.35145208	1.987546067	1.979992167	1.000134776	1.476531634	1.215429488	2.479080684	1.051965965	1.914113552	1.403921475	1.815619372	2.256419081	1.644219422	0	1.826641605	2.054258966	1.895824552	1.634653334	1.564610872	1.486301698	1.759161426	1.521471057	2.091762708	1.279994048	2.489292202	3.06545275	1.449443044	0.991634301	1.506131151	1.199561775	1.580560571	0.123549867	1.08427452	1.975993616	2.999727409	2.785458076	1.48818694	0.10988633	1.445517609	1.706923373	2.118023027	1.172933861	2.43189595	1.154893539	1.380969611	0.112748718	2.570015646	1.742696438	1.294216591	0.778113947	1.661614771	1.530090828	1.650213155	1.828317176	0	0.731771352	1.822790327	0.893357991	1.54760261	1.601819765	1.065013016	1.297813858	1.495167447	2.175485425	1.924594249	2.078744428	1.579517122	1.163338585	0.83565711	1.490204209	2.391347187	1.105021186	1.673586073	2.025485469	1.453724049	2.14228033	1.573886142	2.708951064	2.10490112	0	2.135816147	2.257337383	2.517711906	3.390222909	0.983786824	2.950164599	0	1.297812659	0.413871399	1.282794542	2.180150534	1.256919258	1.011512302	2.054732571	0.791620177	0.937059944	1.079613522	1.425527055	1.564603088	1.180530367	1.172504266	1.769005915	1.848948878	2.20398405	2.058822317	1.873152399	1.441596832	1.066193039	1.841373251	0.108493621	1.012950162	2.09061284	2.175874532	2.281823694	1.223697707	0.853917344	1.074466515	1.823987203	0.176129016	1.704358056	2.091670982	1.314340577	2.758995883	1.122946115	0	2.665446217	1.813027932	1.981082656	0.235238115	1.173941243	1.042461983	1.025118336	1.782957942	1.885726732	0.778443559	1.824666821	1.071409716	0.917999628	0.97889898	1.829286587	1.936643207	1.257663862	1.750164744	1.674102799	2.396968439	0.891470742	1.772577701	0	1.880864543	2.264833885	1.164386507	1.490237521	1.280544472	0.99063522	1.365460201	1.044255565	1.084990904	0.671213264	1.607561685	1.498087654	1.710391183	1.306268519	2.308788083	1.221364778	1.477057852	0.559032448	1.657599691	0	1.910995907	2.668424122	1.831390089	1.167878263
TaMCA	0.060371853	0.734412796	0.396545911	1.187361366	1.854412584	0	0.542861794	0.222095519	0.616408503	1.390743671	1.479715718	0.57662241	0	1.252778943	0.765232477	1.792742487	0.962861686	0.050680701	0.427486251	0.540437472	0	0.057144952	0.774678679	4.220016146	0.989728145	1.46550143	0.634423992	2.456559173	0	0	0.235861601	0.141111705	0	1.74765045	0.580093818	0	0.109496231	0.685533513	0.123107942	0.126359266	0.375168365	0.076841501	0	0.628674222	0	0.902937279	0.769202972	0	0.646135701	0	0.058438907	0.535149348	0.336077606	0.437533024	0.170637487	0.323477821	0	0	0	0	0.378825555	1.516005376	0	0.111023245	1.138397897	2.525824179	0.124437295	0.840200879	1.179383361	1.67644291	0	0	0.118178929	0.02014771	0.12060182	0	3.066416896	0	0	0	0	0.818320739	0.058885167	0.122270454	0.260574332	0.138274502	1.256591535	0	0	0	0	0.840675696	0.656566836	0	0	0.27047369	0.08189582	0.49642821	0	0.086037504	5.420017369	0	0	1.435139382	0	1.872232857	0	4.560879693	0	0.895241945	0	5.373857019	0	0.099346442	0	0.165361711	0.390218706	1.216473721	0	0	0	0.263821597	0	0.412231622	1.023962545	1.454928402	0.336652025	0	0	2.399547034	0	1.731011762	1.053751201	0.529063431	0	0.196005354	0.586905707	0.087553368	0	0.627650044	1.184964887	0.118920738	0.287669052	0.373358023	0	0.149728438	0.557747916	0	0.24184885	0.328968549	0.147553221	0	0.82955346	0.586840535	0.825903126	0	1.226787949	0.05806873	0	0	0.193917647	0.67639293	1.297382472	3.5674531	0	0.590711584	0.268226068	1.078224239	0	0	0.461045289	0.722722926	0.567328662	0.555921636	0	0	0	1.408611623	0	0.023998046	0	0.528023781	0	0	0.308038501	0.81918997	0.050799864	0.045150046	0.196078489	0.79233837	1.018812494	0.303796983	0	0.536165439	0	4.306074118	4.001303585	0.126583104	0.515786973	0.401015203	0.279633657	0	0	0.941498498	1.40541998	0	0	0	0.810548306	0	0	0	0.08641422	0.057141532	0.944638328	0.82239922	0	2.946318405	0	0	3.337753355	0	0	0.407331038	0	0.866025179	0.245613216	0	0	0	0.019157252	0.114362303	0.273941462	0.010535931	0	1.005916161	0	0.543415786	0.073529021	0.412542694	0.140755891	0.059772593	0	0	0	0.06776011	0	0.37329241	0.100291355	0	0.939801035	0	0	0	0.909811698	0.171378934	0	1.310098854	0.03479867	1.071283952	0	1.997358446	0	0
TCA	15.63801747	12.24820025	15.49372479	11.65169334	12.1419155	10.3714472	11.24951305	7.714086623	8.698909133	16.59267266	71.73088254	17.2957932	8.825663782	7.620702289	49.94964041	13.96655842	14.51275101	5.709357051	9.23368255	10.66708411	10.77302442	6.432128957	11.10049399	19.69000475	8.194296979	11.47894029	14.79516867	11.35827166	29.07910681	10.48050512	31.41287213	10.32086982	30.24468952	10.80168593	12.63377254	14.05121121	26.48958402	30.41655339	9.437835844	12.76852263	6.266285005	15.568294	24.14856688	11.42575201	13.32714909	10.72632194	13.30020431	12.9743811	4.849003457	12.28715378	10.7797032	13.16234481	29.47464002	3.890003292	12.89232887	10.32480061	12.71369505	20.46017968	7.688940228	11.99728907	4.801227936	9.981563439	4.39809674	7.855965754	10.41500385	11.40858928	6.939287438	11.48093032	11.4923575	30.03090336	22.62788315	8.680916965	9.997607626	9.889374504	9.067510898	19.57004902	19.9722315	9.049410267	3.758795907	14.32922182	54.80066786	12.84546567	12.35485721	10.3413087	6.706707291	13.36873856	63.40023525	12.08573066	9.30730798	10.00039457	11.76353646	15.57419447	22.30666897	9.108708742	9.201002464	3.905036934	5.795394166	20.30835395	10.51609124	19.65411301	283.1618063	13.43365011	15.8475394	12.01159874	8.004166012	65.08442613	42.74874607	14.31765132	7.0534901	11.31035081	3.58488289	7.470994397	11.43616772	15.01730947	15.44792898	6.75869707	17.71309247	12.866291	6.320433537	7.061825679	3.134845372	11.52298606	10.66858488	18.87345731	13.54081363	15.68074033	15.81260972	8.264199235	8.793955572	11.22988366	10.59210658	17.58729852	25.84313643	5.826439105	27.61530502	6.799281451	12.44342005	16.63822344	16.70189104	10.5189912	7.254800719	6.319613831	7.907334049	5.629390416	10.49354327	11.880383	17.30687448	4.178700094	13.3818744	1.981717685	10.68260861	9.937534306	21.96447204	15.0039834	7.851880561	11.69318677	10.45829821	79.47740288	5.471307381	7.173617233	5.378736665	14.40776942	12.74698311	7.992223821	6.823996138	23.19581077	2.519361495	11.54741846	8.856244742	11.84978493	16.30628394	9.696997206	12.73365378	12.40271506	14.82400085	30.91615704	7.035902975	11.11686822	26.09120224	11.26461013	25.41447128	31.40436622	11.93396817	2.368394204	14.21722478	15.06179242	9.415299334	7.994925031	7.418229804	123.7306168	12.32232441	10.2056403	13.02050628	116.15877	10.21920711	32.53588945	42.56101982	15.92836015	8.105876807	32.9790895	21.71077113	11.07494095	7.741792888	27.39819874	26.34131295	10.72428167	10.06092779	5.419402178	15.53866147	7.81109193	10.09401073	30.27220886	13.64917169	11.99688659	13.15696992	21.87925848	7.291272554	91.29421447	3.791486315	7.092566088	28.41317801	6.165212777	12.53221258	17.37306633	24.74673408	34.50323311	4.538262697	10.98998693	12.83668456	4.284500981	6.459692064	7.341948727	19.22375182	133.3992737	6.596373435	18.64168505	15.04561829	53.5017175	11.5026652	11.90072651	16.23047612	16.17515741	7.657636067	10.16105722	11.24732383	5.691562832	7.476768488	9.196911193	4.779867031	15.9589996	37.63954531	19.5273989	14.37084253	15.24177765	16.71685981	14.68288016	34.802713	22.81423428	7.996935034	20.42087566	12.46691802	22.6330118	17.21918565	3.891565317
Glycochenodeoxycholic acid-3-O-sulfate_528.2626581_3.58	969.967411	3499.765444	581.9708902	1793.171091	1783.802534	631.1386335	31.74624543	424.2993089	412.0840136	1921.659022	1161.187336	1447.303594	5015.56307	1702.410411	1945.008402	795.5590116	1363.243684	515.1084614	616.5466459	990.5078483	0	400.2139717	1148.136905	1781.601828	307.8073099	861.6004444	8621.893644	801.2849065	3145.971608	467.9727905	1436.139323	0	3354.100649	384.9319635	387.939398	1441.530448	588.6849001	795.663379	387.2102292	1883.136974	171.9969075	805.3995885	2246.367588	388.1675542	715.1318763	989.6976417	891.4294351	755.8549862	442.6442756	419.6192942	1151.770511	2446.688888	10114.613	454.0812919	1264.333319	2253.370116	2144.080338	699.6435522	2142.833888	392.3321723	761.1169515	0	1591.572744	543.7132172	1586.10161	1320.274657	1099.128461	2899.44174	599.4829331	2126.186642	2813.684802	222.700224	1373.353905	308.9161896	727.9274897	4758.149364	570.2852409	132.8652103	0	650.9340945	7723.816745	390.5252872	3385.362212	543.0332575	155.7404176	435.8221188	2781.513412	0	652.2307968	882.9290535	591.2066854	1321.177518	1433.450644	1306.883675	1030.987201	200.324214	808.0707928	1207.551991	1017.731747	1480.853844	1263.22418	563.6170729	1253.15177	1472.321273	532.0984677	884.2492476	1034.126683	1484.350446	974.1777101	3957.864671	536.5895596	984.4110307	230.2980518	289.1268297	718.9457869	134.4332095	1234.140776	1648.491742	0	1009.258446	983.6735417	3623.319977	409.2269834	1323.251531	1173.944848	739.649877	210.3091608	227.4241207	279.0225269	750.046613	828.0715978	321.9916507	639.6173029	558.265827	656.9753101	705.9155747	3853.213272	4903.329179	1467.673502	1211.792666	1293.978742	0	282.362366	299.2950882	1445.967876	1316.126487	1243.948363	119.7160838	543.2266845	100.7242208	1264.764881	1125.706526	732.5066605	983.7523757	396.2112301	116.9780091	849.5102972	1769.549774	292.424604	1316.29532	2607.467825	1255.035492	4401.802822	817.4331973	401.002647	1112.479858	1068.804232	3685.693217	206.6844978	260.5220236	946.3436489	4822.534322	796.4314474	741.8640887	1185.697974	2484.526872	733.7978511	803.4821535	907.203601	483.9385901	1030.945119	790.382804	1018.796428	97.06446479	222.7612888	2498.488734	671.6654444	1575.561019	522.4877674	9873.409943	2117.777432	37.01420638	1434.444437	3444.813871	705.0209609	2777.907902	2989.827665	168.8300722	2679.677859	544.5265882	1991.35456	1468.120602	1220.519106	3693.303845	15272.08865	917.6088238	983.8312097	307.7264258	450.1794612	1251.865708	155.0422951	355.2057878	2052.526908	309.423896	618.4342819	1315.501554	1653.018703	2906.768108	2741.25282	280.3050502	7723.450721	0	976.6442259	1088.600531	2744.055931	2147.836598	1081.723799	450.4518107	675.3832307	205.9214156	2560.622913	3398.092064	2230.742638	662.8924277	282.639009	734.6824604	74.28647446	10317.48392	1458.140109	1998.992465	603.3655361	1121.804547	0	129.7170986	1131.668594	2055.662454	536.7135304	1784.325972	437.3479016	1979.98845	235.4456824	135.3116818	244.1109584	1063.937896	1562.777733	466.7801342	2649.193328	3285.833893	295.4559073	3124.753141	560.6781396	2381.701081	1693.885392	450.0138578
Glycochenodeoxycholic acid-3-O-sulfate_528.2626977_3.54	1072.970121	1553.619597	639.0282927	1830.183598	1812.105194	1036.316605	46.41481912	620.3497582	452.9613548	3291.040982	861.1475155	2362.549476	3724.035275	854.9935449	434.9292453	794.5843166	2024.817774	522.3541555	1339.776631	990.5078483	0	860.6837225	524.0149167	2696.756125	450.0318202	1632.747927	12890.08169	687.9434298	5718.499715	507.2916561	2083.960608	0	2903.715647	884.6235817	907.4464324	1441.530448	697.5026934	1140.691414	917.1135575	1883.136974	627.9118238	1378.263951	2822.593585	858.6469265	715.1318763	1624.557653	998.038302	1485.590487	792.0562789	393.9587207	261.4901801	1907.608539	12499.50749	774.4952256	2092.217459	3535.737964	4202.412966	699.6435522	2142.833888	392.3321723	1601.179372	0	2459.098975	543.7132172	1351.46764	1320.274657	811.9567917	3490.022175	980.9401026	1960.875671	3379.529395	325.6004127	1086.929572	260.8917479	1290.720487	1728.060151	679.3222535	194.2565057	0	1263.101606	4209.96703	570.9702147	4035.683223	539.1579945	520.033949	1097.246441	2781.513412	0	451.6237732	403.1196075	868.6201737	2274.180388	655.4294288	1306.883675	1030.987201	292.8854116	808.0707928	1207.551991	918.31723	1243.347025	1480.355701	563.6170729	1253.15177	2404.107586	890.0063457	913.1800879	1034.126683	2422.154307	1647.011295	6392.910707	536.5895596	835.5980896	230.2980518	1949.096336	718.9457869	196.5490098	1680.448328	1201.001074	0	1098.654463	983.6735417	1000.702697	409.2269834	1941.302538	1160.005585	739.649877	307.4839726	332.5070189	279.0225269	862.9208598	833.9941995	470.7701344	639.6173029	1052.991723	656.9753101	1672.666204	3753.546658	6953.229919	1946.777561	2007.154305	332.5913887	0	282.362366	635.2344024	1750.424808	1316.126487	1672.825136	175.0317337	1015.984105	100.7242208	346.3011408	1784.245302	1207.738108	256.787806	867.6883823	116.9780091	1229.85385	2484.728767	427.5414279	2052.436029	3996.168612	6311.188943	1522.171321	817.4331973	401.002647	1420.095491	431.7597296	392.5655352	206.6844978	380.8980381	1212.166066	939.9643091	1509.408755	811.1793252	1910.888892	2123.736916	733.7978511	1174.736676	1049.269436	455.8903506	3303.138927	1245.279994	854.111646	97.06446479	652.2255051	1876.320087	216.9031716	291.882508	952.47926	9065.965739	1814.919798	54.1168781	2437.604355	644.9147878	601.6081546	5812.58017	3777.373134	168.8300722	2822.868841	1012.396248	429.8139136	994.5939239	470.6298037	2636.641167	6463.38999	414.1714019	1514.573767	683.1996733	1253.704487	2617.771418	226.6806669	1071.158469	3358.086322	702.13352	1116.240954	708.1950537	1041.889706	3012.754513	3406.424969	409.8219499	6762.20025	0	1254.520657	861.8479707	3766.037181	3829.939645	204.9999832	354.8678068	675.3832307	301.0688392	1448.123461	5436.192693	1341.498606	1123.060286	714.031645	734.6824604	108.6110571	3053.696509	1317.386954	3057.9134	1242.202573	2130.874847	0	129.7170986	1714.443633	3138.946676	1010.747525	1942.887122	871.5175439	2115.104664	235.4456824	135.3116818	356.9041261	1063.937896	549.9694082	930.6631965	3618.757155	2431.383043	431.9733661	2210.512871	551.9134076	2346.446797	953.4316079	450.0138578
1OH-n:2 FTSAs n=8	1046.407709	1165.256898	1458.806907	224.3728957	1086.139543	771.3615939	904.7595422	970.5452167	889.9348306	1379.755192	1321.302003	1228.941564	1030.38276	706.2257446	1349.429313	931.3294962	1393.15752	651.9651525	768.5734773	907.0842352	957.4097414	676.0220682	924.7484351	1678.19889	863.9230383	1266.990453	981.491225	782.8205448	1145.357244	1157.441803	1149.979165	1261.075069	746.1636032	1118.636322	870.3858658	1134.597817	1209.481818	520.7021905	1190.099978	1340.695806	600.2088617	980.8177136	1387.808482	1167.042745	909.580026	1184.763685	721.0323465	1344.84004	499.8360647	894.60927	1006.013614	979.6390658	736.5842877	354.5473219	1159.09746	805.6904542	755.4749238	964.0763529	807.7936819	657.4963129	940.181191	1232.37093	854.4293694	1282.520901	875.8725646	1144.708618	681.0049736	663.6473944	1161.682913	897.9763582	1132.69453	1240.007957	796.2145226	467.7256031	1138.238065	1210.512702	765.4836642	891.9420441	675.7331561	879.9798641	1120.23931	835.0341123	824.0718446	1132.343106	102.6488012	1244.570076	1558.255472	876.1663064	597.6704628	245.484327	1016.266062	1001.696085	1180.178894	1156.486015	1165.846358	363.3883139	731.1780525	1396.620118	1006.224447	1080.277738	1154.79908	652.2838804	1496.117962	1012.565656	899.1018847	1373.29667	798.4322377	973.5017295	813.0293396	1181.827681	809.3530331	526.9907494	1235.046263	953.4306178	825.6056173	593.8914886	944.3793785	1051.220212	735.6046613	812.3277143	876.1912322	1287.516736	1079.148983	923.991522	712.4085714	978.0369721	950.23267	1035.932202	627.6467026	929.4647687	1018.15895	1088.677325	773.825287	476.7852975	714.880531	439.1363608	908.0305986	1014.387993	750.2326577	984.7257901	571.8395069	938.355822	582.9114272	451.8044828	1093.85277	1344.753728	871.0053588	355.5083006	791.6150109	941.7494244	910.1839725	894.2243868	751.7469899	943.7599979	961.390514	1093.867917	1082.420062	1096.837791	473.7552206	568.5262901	530.9259468	495.1425241	1355.818129	519.2689227	1110.805666	821.3451576	704.8784343	1256.298115	1100.951112	1157.548313	1057.295391	848.1170996	1080.966139	1000.682284	804.3048568	1767.689468	567.9756727	1032.22509	921.2120979	451.3180356	1193.546604	948.3517606	1685.706905	391.1522235	537.3755525	724.1822211	408.6948594	411.3088344	765.107384	1337.698914	685.9206111	666.5365823	739.4228058	871.0151632	1206.966217	1073.61274	1138.097812	754.7335622	668.3124847	502.3257888	1075.16066	1046.535919	529.8124401	1165.659127	1068.020308	904.3211589	1037.122084	418.9241312	411.2124662	1021.75517	855.4918842	941.7902361	692.0523861	694.8153488	1194.02194	371.7081686	849.4405251	1134.7243	532.4327537	738.8645661	946.2643511	505.1563035	1057.406324	704.1811544	845.7884238	670.3282419	451.5563785	1033.239633	934.4438831	494.6484039	398.9549912	1258.419583	875.3537975	395.6567605	845.4772078	851.2989557	1123.381058	658.0657559	996.7814124	866.34577	985.5926879	830.9779354	802.6444777	747.187377	1104.403643	519.0675232	722.6115994	496.0872586	598.2646243	1097.322879	537.3108901	738.5616961	978.169132	660.7979032	1013.82778	1192.050862	569.3393233	1249.998773	699.9209712	784.4459493	1347.9612	1095.109673	1280.500705	776.6399438
PFAmCACEs n=10	634.3345045	397.9659231	928.3217852	157.9693719	685.2114461	521.2010923	584.4279404	512.5128119	566.2967101	801.1039347	736.1834955	697.2637706	642.263446	452.2673167	728.1602713	545.2500194	890.3246361	385.8461437	463.9181367	740.6264047	423.610961	433.9651588	535.2880846	1080.559966	566.0113188	856.0732282	518.7093047	477.99694	727.8167416	676.6258773	749.3842609	856.481686	516.8215416	733.3311844	517.4445216	506.6959149	544.2122294	184.9225256	749.3949525	695.8118322	380.7029753	528.1050265	446.5664165	697.9913384	484.5917717	336.1943105	468.8705737	592.021782	311.9034011	322.9301059	608.343433	484.3250215	363.3496163	222.1565595	773.7317764	491.9752587	154.2622127	524.7770972	451.5582102	525.9947773	409.3284182	721.875666	415.277252	562.2784811	510.6092705	507.3103757	463.3127205	388.6718955	334.4640726	543.4164774	701.6169899	746.5876566	266.7207557	302.4714544	668.6567757	599.2581318	504.9362931	490.2896855	398.7292729	305.3710763	661.0260827	488.4193262	518.0945083	699.2421383	47.00037179	714.4197648	1219.899932	513.4247252	380.4713333	172.4483475	607.0337238	636.0992214	470.3467815	623.7907803	590.6395158	237.0584532	230.953083	324.3931254	564.9908041	494.5816823	657.6712434	394.3419847	714.5726079	652.5064447	570.3987572	514.8418225	478.3183527	611.2297303	551.0787938	669.0105858	444.5231416	289.0279778	736.0970629	323.9682953	527.9590996	394.5402187	614.1214172	647.4806368	389.9586998	474.8452641	435.9351462	783.2667945	564.9360336	629.5264139	211.1081001	484.6648731	596.4188334	673.9629303	395.5802651	507.7735275	640.1877267	636.5210444	471.3449128	256.7568449	556.2172733	291.1296536	368.1014601	606.073552	435.3603776	622.1624848	376.0319169	429.4400577	332.1399754	319.8417396	210.8295475	636.5752968	231.8651349	219.1375734	451.8832719	386.2091789	574.9565948	395.3973874	429.6557512	445.4948456	581.8875145	603.203912	561.4885224	560.2191404	293.6996645	439.4672432	306.4783774	386.3007438	422.6377212	218.5955937	528.969544	272.4206088	409.719154	640.024567	569.1730512	270.1904262	628.0684912	423.8119151	401.8529282	686.583736	534.8632476	877.9735359	403.7466898	613.9678838	501.0352017	281.9968988	773.7789314	248.6509128	941.8397344	405.4783753	357.4632377	179.3545396	50.87360589	300.0389532	441.433918	897.2621349	364.0508101	310.7917527	264.7524386	478.4475542	336.1454829	308.9729255	666.9980172	375.1788146	209.1104556	312.2161049	598.3634628	583.5095361	315.8373522	391.8628991	629.822651	87.70629882	547.3362133	185.7041843	288.3066533	207.7717234	540.1142157	383.3450253	464.020763	420.7770642	725.6561879	227.1866017	272.96562	712.4150365	435.3083241	469.2037883	626.9464748	331.0361161	613.5078423	456.8310545	541.9149568	438.2305275	242.2252065	609.1367051	493.8865193	312.7299223	174.1534178	729.0787296	527.6092632	249.8221584	455.5420449	481.1966082	625.6668305	382.4873243	594.3770861	536.2314073	508.6549924	561.7066199	591.2406945	387.106944	369.9772226	331.542036	436.0267454	298.8360764	118.659046	670.1693239	312.0606875	389.3541432	429.0047683	415.9490131	592.3102176	676.8893267	188.6559237	804.4476691	139.8753053	440.2089103	362.7841814	358.8977636	655.9747007	367.6255192
PFAABs n=7_pos	100.1609296	64.94305051	56.59815673	25.45792263	62.4874502	68.12920011	64.55785275	44.57491552	51.2324293	113.5887632	64.15484021	74.56781617	75.32262756	47.52342708	68.12114472	56.7248935	124.4699614	62.18496414	32.58480391	52.66768787	49.79016626	36.7828904	57.90134184	121.7987966	45.17789731	90.55560513	60.40694708	48.14129715	108.8354327	84.83385126	110.7920835	90.16692415	156.6671335	96.30525603	41.16041795	48.59938839	79.34461035	42.43434333	66.92508935	98.19503654	39.93938281	88.97568586	66.9075457	55.05895074	63.56729576	87.2246224	46.47020165	115.1420216	27.41405331	65.04310458	72.73867366	62.10269377	0	25.03013988	95.55746966	60.87012361	46.73290926	28.82176831	74.14637453	95.96218219	109.762004	54.98195249	0	55.2798848	61.81116945	94.73262644	60.26383559	38.76943746	65.39525878	74.85803479	51.38412027	62.52678719	83.33847471	36.22128449	65.05166256	41.88313651	50.72392983	67.68643632	30.31132975	56.48062005	98.95457971	52.44009657	56.12688216	91.6462993	10.80434139	61.03859735	114.0952592	119.4654032	49.03030966	23.70642501	54.08676164	59.01740806	141.7996933	184.9890506	22.88298305	29.04639254	79.28043936	220.3782714	102.3328169	122.6611267	68.88801683	19.77807033	150.6549799	71.32565163	92.39827757	112.245071	46.06685799	54.41009088	59.48317708	100.6573704	75.33499014	28.67386528	56.51731705	84.87422722	26.29451735	35.89108536	58.01517653	67.31046146	86.91438038	49.85700502	0	74.06550917	102.0950965	70.86760041	45.57086207	54.52380569	97.39561121	51.52713618	71.75102935	66.06533092	79.34008155	95.17941644	0	27.08184451	22.66418475	17.90732465	61.42196313	58.44259322	63.81123146	116.3427403	42.19128184	42.43010663	0	33.58574195	66.99386214	197.962773	60.61631649	22.15175749	58.51385925	105.5293615	85.92377547	0	43.7182733	62.48698564	59.7232056	160.8494693	65.95878203	112.4427673	33.20762376	39.34714431	20.62538672	71.35569048	130.7907583	33.60824669	0	91.72694777	35.48165131	45.94680129	22.41450249	56.95591242	107.8382219	68.31419607	76.93425314	70.8666044	132.0202611	32.05793464	35.31749297	86.96429612	81.96735617	29.49402842	77.97998306	124.9432705	102.3033029	58.984349	29.60942064	70.57865978	33.72731315	32.7591021	39.2090559	71.09476487	72.58493341	33.83667656	43.42997202	48.7207634	89.22108589	94.55566159	47.28504375	109.6066801	46.04360085	38.84373646	76.37123364	72.68485695	51.61383476	91.65705796	80.16136339	88.18258146	144.4927426	40.48384705	34.43799111	80.14029623	32.58037111	76.82016275	61.50736669	51.85418192	79.03502162	27.01138193	52.06317614	105.0159792	48.8573278	36.84112821	76.77749634	0	54.13736323	35.90226643	78.84714925	61.29235191	31.28641334	108.345368	40.45373267	48.87827106	29.50629081	102.9729517	56.11181635	26.3333472	46.75297406	97.61882175	64.81728344	129.9569158	76.40038352	65.80398798	85.81169676	0	27.65896065	76.46141816	0	45.9807822	61.85784882	29.36465461	43.32982996	58.39100489	19.18425472	16.55302656	56.76715852	84.73810241	73.95809227	60.99164076	40.40867884	73.89023724	37.20905284	49.89266097	60.10136351	58.60104113	102.4094823	33.05847553
mHPFSO4_ii n=13	1076.548704	1438.341633	1548.830978	242.5814919	1255.588779	842.7858142	1110.655866	955.250542	1049.557402	1506.435941	1299.718043	1306.067281	1166.072752	786.7869162	1555.034954	973.4059346	1742.100143	779.188126	755.8882156	1391.387513	1005.73508	805.698998	911.9281612	1843.126959	970.2347384	1390.559831	1071.18942	828.9431623	1387.997195	1312.589235	1455.940054	1438.411246	768.1558984	1313.576034	824.6636048	1206.251668	1259.967965	589.5674864	1294.274259	1124.361174	666.4140608	1094.086797	1361.263159	1276.094806	1089.381243	1313.858861	761.9415621	1427.608837	467.1809218	894.5725066	1115.459693	1130.82673	700.2902535	399.4821701	1221.259825	931.3319596	742.6544155	859.7093503	912.734269	883.0145984	655.6411942	1424.070103	1169.640615	1250.789425	930.664678	1010.547989	797.4171159	736.8340917	1233.263989	1035.371918	1200.305842	1364.455619	1034.359694	470.3952495	1185.599906	1170.920652	942.5421536	1032.507757	632.7982087	860.2042989	1219.896536	953.9491965	1068.229699	1183.348767	104.9437023	1524.28334	2221.42287	1040.441491	701.6983254	256.4047002	1053.418977	1398.782598	1347.028218	1251.290781	1198.844598	439.4101174	939.3635498	1476.85043	1031.945307	1096.970064	1223.320391	878.165264	1121.700708	1127.799768	970.1349834	1273.81449	1173.205101	1219.766802	1130.320489	1230.206919	827.4338379	543.3516313	1448.826129	1072.496707	1156.575155	719.3508116	1049.338531	1047.205878	654.2914537	851.5774326	725.1831636	1263.801381	1289.619895	1088.534137	746.7308061	1056.476102	1099.179539	1071.881887	785.9782408	1030.97462	1092.234404	1306.676213	1123.750503	637.2630786	1025.66753	549.3955649	930.0258246	981.232897	765.4353293	1025.884165	614.4219548	907.3766635	574.3375845	525.791744	1063.292691	1290.005018	762.0194651	354.3472082	881.8362434	713.4033205	1102.638149	1026.1008	857.6921298	1129.502275	1015.579106	1208.111573	925.5745486	1030.632545	471.3117663	633.8731718	580.286794	797.9595214	1491.593664	418.5615809	1119.49521	856.0235225	664.088702	1409.89799	1271.561707	1373.504075	1066.57252	951.5932543	1064.721629	1183.3362	1085.739865	1529.887623	678.1893445	1097.900254	929.8372852	519.3970863	1282.583967	884.6300566	1607.10714	736.8208596	634.3383024	794.2613503	516.3992459	457.8811605	831.6346401	1387.906323	792.4681189	787.8585963	858.5354536	897.1383812	1220.768375	1125.787259	1108.189655	894.3319599	753.7233723	499.6103377	1060.710342	1213.441384	572.2765159	1172.304724	1155.53226	1029.15435	1081.097262	474.4349473	479.4482596	1255.364157	969.5109217	1051.679388	734.8232828	716.8612627	1220.364667	406.4447394	816.0839814	1304.15649	783.0238115	835.8234535	1086.131353	662.6888352	1187.465934	772.4770875	996.0902873	793.0855792	460.9700959	966.4950235	964.0964757	604.1976638	409.1709311	1387.556492	895.3561798	376.0508402	878.9307751	898.6548221	1171.729478	882.9311625	917.5480322	982.2713887	1091.611157	807.7049862	1284.904551	919.5338528	895.6307193	498.1088292	960.6011118	563.9283	706.4315143	1244.368839	672.8217948	730.9375481	1056.754122	807.7252693	1073.687863	1222.801946	647.1905898	1280.209245	704.103681	851.1401383	1470.069026	1245.757146	1110.651615	655.2789403
n:2 FTSO2PAs n=4	325.4840898	435.2050935	513.6424151	171.1925595	344.3005287	282.1597995	391.099163	356.0475715	280.7479168	376.3465475	396.0975647	425.9878251	342.739664	211.2185934	468.6978312	477.1533909	542.6420177	303.6535824	277.4056712	333.200688	356.4050801	322.0505542	321.1883423	536.0291111	319.7115394	398.1967731	291.6696339	272.5169185	620.7916209	310.722993	567.6304241	378.7300157	252.5900756	553.6170133	296.2048025	320.9797225	515.6954751	249.6397708	375.9251866	417.4894469	210.6635659	394.7491608	464.7603679	299.8211205	206.1941566	432.9019052	228.2815655	424.4513498	144.6790557	259.027455	474.6786211	265.1214887	216.0933955	165.3118039	331.5868143	262.4100511	235.5803411	356.8033235	195.1520662	342.9617731	230.357208	515.9901182	364.2299997	259.0830796	259.8801637	267.8424219	222.3596093	123.4976966	272.2316867	302.9995744	412.4455518	398.1749352	420.2317689	142.4568711	376.9314547	393.544006	295.3837785	251.7833956	158.94387	239.5815716	443.7859781	294.5143824	565.9425545	439.4539933	48.12277016	506.9843587	645.1357911	288.5752306	205.2709439	180.3651899	318.7150281	416.7951134	373.3822929	626.823221	488.8102659	185.4784977	227.7063654	461.0510887	289.3059349	294.3804936	345.6338777	269.2480857	374.485614	362.957708	473.7343482	383.7186883	261.9459057	396.5421842	362.1928561	432.9848593	288.9917899	134.3576669	423.8144891	416.9540173	404.7550811	227.9408008	291.8183519	366.4920462	296.9758402	192.4361209	250.7460619	464.9984075	416.689718	435.4673487	336.3944576	276.4311409	376.8566025	340.5534993	262.6597515	324.6911799	368.2419572	509.5294456	169.0323639	232.4027775	203.7833786	161.951823	270.0321817	346.2751666	300.4432499	283.3452719	176.2277874	351.2385066	185.5871231	149.9370081	243.0496417	440.1475423	245.339948	118.227496	287.0810974	205.3089649	325.1231422	266.3462766	190.1215738	373.4602011	226.3183947	373.9329478	558.9254451	358.1901804	170.453702	231.1807285	157.6425576	147.1911258	497.4772717	43.15590998	302.438347	349.719892	161.4045405	483.8522421	326.7809498	574.8389562	277.2190653	307.6064426	303.7608015	340.8233056	317.5135593	454.5838302	189.2992637	332.4630079	386.3771754	153.8647586	406.2445036	224.4458906	439.5270599	341.2372342	211.0846035	299.1353688	196.238469	143.8494708	254.391961	377.6369224	366.2885998	238.9713883	253.5148486	319.2466409	381.7920679	313.0252889	412.0506749	254.4279089	263.9443316	152.0808626	352.955886	408.3634638	245.8832418	350.2026655	355.5575669	308.3707841	277.21534	126.8075294	187.7503548	531.2468979	280.9216277	254.5333554	224.8048794	212.2316769	384.4238063	136.04295	283.5738748	500.7846245	283.6136386	231.4797524	372.5342525	250.2542379	335.3807854	277.5306733	405.4727139	242.2464994	148.6240248	360.3287992	197.365555	245.0093105	106.8474346	503.0265263	297.9356565	158.489866	346.904106	235.363136	359.6776972	204.3115653	273.8138657	434.7266692	301.8295391	313.6114536	252.7219779	331.5689056	386.5949892	219.2085577	413.2689595	170.5432834	299.021328	370.8579385	325.2409552	334.1178705	342.3178756	365.42292	325.8126748	449.874139	246.7760366	456.7036502	217.6813677	263.9007539	387.1734119	411.1589488	372.5217574	265.1663729
dPFAmCACEs n=4	140.1971384	181.1281564	181.430003	9.847511031	181.2634826	191.7066046	223.5318428	143.3898801	142.3691767	189.0340042	199.2769723	176.1206619	178.5362075	151.0294722	257.9838953	230.7554834	258.4611631	136.1482541	164.0170832	60.34729031	229.1949362	180.2024199	178.3561138	322.0335753	199.4052149	266.0267792	224.0802686	157.7438133	383.1780776	231.593085	365.8949057	204.9210296	157.6614457	298.8555009	153.8550822	76.89107312	181.846109	127.7662064	151.4458487	395.8433669	152.368078	186.201015	245.9546433	230.7971517	34.77387507	182.7015424	143.5916311	167.8013751	104.1893957	137.1284105	242.5702252	206.4907899	268.0491492	94.49206772	216.5017534	159.3385723	117.8655681	223.7295081	216.0656411	236.9121272	94.94775525	261.1336533	174.6202352	240.2808322	164.0686243	189.9557326	159.9504832	109.5183644	182.738953	176.6059174	175.0326705	210.8990683	221.4628117	100.7175742	160.9906893	165.8995538	184.0083835	219.6803382	130.8906765	156.3706986	211.1800047	197.7932758	285.8001243	188.8680386	6.328407025	195.324972	276.8525973	106.5167623	112.140503	7.776583978	193.3990548	297.434615	36.82751256	309.6345174	258.8052512	99.69266222	81.36440026	40.84780991	171.0699989	105.129882	258.8386357	135.241417	28.43834586	137.5877471	214.4209675	127.8062985	166.9426311	146.0737917	201.6659011	142.5387815	93.76620179	89.92702647	283.0664334	196.8771589	329.1055673	93.78880343	225.6085328	176.0131992	190.74889	112.2583362	198.3132486	255.4057518	136.1857499	251.6143047	158.9469268	169.7086032	191.2056711	215.4427031	112.7687025	165.177873	216.2316718	268.5799749	161.5011172	90.21012209	157.2452385	99.3029924	191.8680235	163.1429504	142.8958594	154.1083239	109.7550461	122.33185	81.58701182	105.893046	194.580208	197.737416	89.12311534	88.6183191	182.9284302	62.04275398	178.0669543	135.5890801	174.3030797	136.3812678	172.3743385	224.4217358	354.3970802	264.6824775	77.54821057	103.3246327	108.3076495	154.1265148	244.2000154	0	129.6298377	175.9115331	0	236.5314887	255.3205022	288.4269902	138.0563809	130.4520142	210.7957138	150.438163	175.2107134	303.7499285	96.82191087	241.5217605	190.9275677	101.3979513	205.140219	138.806818	199.0663022	246.4741045	129.2137764	121.9842117	102.6167731	110.5253249	104.0133904	187.1338816	194.8933094	183.4252396	205.3176552	181.4460029	142.3754872	152.0057165	150.2009983	162.58898	131.0488732	76.04357284	228.2080382	179.4448834	122.0271075	214.7904752	173.6213297	157.3214246	168.0890627	90.95595062	80.90843607	196.0276914	114.550681	148.5612749	119.3117484	140.7167967	138.7277468	66.88236135	135.3085464	221.575815	121.4178551	144.1713879	187.6723086	238.2562702	177.8705664	74.05710417	193.4286231	184.6035284	87.90291209	144.8833742	67.51533757	124.3867309	71.36469426	308.9727435	99.87627061	86.82483661	133.3503551	28.98139013	266.3567618	196.557518	184.7691058	202.4288086	193.8042153	250.6458523	186.594894	209.292132	227.3215915	87.60857615	175.1216919	79.29813104	149.325309	178.448159	301.0304041	234.4432404	198.5040956	268.3358831	224.1236281	196.505621	92.42615369	146.1506167	92.46944063	112.9068967	211.7653176	198.6537005	55.86884545	195.281949
qaPFSMf n=7	130.7334312	97.94246164	74.07804409	140.1100897	78.3448995	84.23177963	66.04986756	49.64599665	85.72691151	128.253409	104.4254091	99.01978098	83.88304617	46.60002751	85.04744516	48.82883478	136.9542042	50.18141524	49.75341685	28.06348125	41.40881228	36.95414232	52.30687411	175.2146586	66.36464332	113.3856361	85.61502802	63.51184072	72.30662565	103.4303494	80.7634253	116.54275	246.8391575	66.30587615	65.25608393	147.5221887	57.56542081	44.30420336	100.1315504	81.38412309	50.05258175	99.21853789	77.58377995	88.397024	35.15703154	95.10769199	60.99413766	109.3264273	42.19904763	82.18298468	52.48634116	96.41355382	0	29.4595744	113.7741463	82.12888179	60.26212393	238.9455293	55.3017073	99.88536093	69.58636202	62.46958228	97.04567255	199.4758423	72.51803522	18.06096907	87.81014466	83.70049445	90.90753701	79.4613622	158.7690524	76.37408005	74.49996535	49.03442246	67.69508905	0	75.24450325	78.65749432	79.61490503	82.4332016	131.707704	47.82619547	60.60581592	95.11330293	58.019095	65.2604226	343.6992346	84.35934345	52.48793018	121.5975152	70.57657112	0	73.33414657	145.9772213	0	27.04353306	162.2282527	278.3515207	112.496946	153.7648631	63.65867704	21.8165607	301.8659596	96.78365527	53.39024672	142.9858922	114.3242344	55.40622405	74.59302843	0	85.27952643	36.1894261	233.6543523	67.78205187	0	48.19456239	84.99904047	77.82926134	36.38706947	62.72493948	30.06168225	63.565402	67.08216941	65.92555364	36.10664936	117.9964593	64.51683675	86.4308703	124.1481745	75.63500047	84.81709379	83.571153	70.15796518	27.27912006	0	28.11685061	77.71412281	78.23359709	89.14549199	134.2627185	61.26687674	0	0	43.83746	98.11461921	158.0753413	75.84282924	28.24554457	85.26682685	199.1173447	114.551054	127.4632506	54.94510614	65.9823831	75.33701355	139.5993862	40.19492983	265.069993	39.85126639	56.00256556	26.02094819	64.69722046	133.7348252	327.0034892	88.30825415	110.5743697	107.643284	187.8206844	81.99874267	43.56829457	84.81787274	73.3460092	94.22762706	76.79505267	289.9716	0	59.73006635	100.2721667	67.1924259	50.99965765	79.2095645	226.9480131	147.9608869	31.90808937	47.15707883	58.49762808	24.82143194	32.85701202	55.04805653	102.9618502	49.66417671	41.9385874	72.29035996	41.43407964	95.05826478	118.4349693	71.70129749	53.83925074	50.04226207	54.61301157	86.90055908	80.43637854	39.2004053	114.432035	96.35146904	109.564685	171.3875437	57.77042155	32.84120369	64.51079847	51.31296559	80.82531811	78.96113098	73.4186736	96.45823546	42.85584982	68.09870984	93.62172189	31.50527487	70.05465233	107.6626618	0	61.21976858	37.42354973	74.9526152	67.09499407	41.96851227	99.19016649	34.60596798	35.52138635	40.42545209	19.63093636	84.88081872	30.67182274	35.60077803	144.0485236	96.72961903	76.11529135	95.69991006	60.20386193	99.44693082	85.41716857	90.93570358	55.50505102	0	54.56268333	51.70581027	33.00524207	31.22873736	73.38457779	15.79617418	0	95.6021033	33.75631245	84.49774642	73.41104535	48.53251331	92.63658414	34.64225968	71.89969137	85.59541227	76.67146988	65.6465351	73.35787182
n:2 FTSAs n=10	345.912412	188.1332532	190.1227561	108.3559058	415.3618783	308.7724304	259.2998277	369.7803255	394.9032291	511.1579231	494.2668773	332.7341432	190.5628007	277.1726929	485.2671004	331.9796748	585.3868162	135.7697689	274.6060462	483.7792837	338.0294207	246.3386572	120.7283765	645.0653775	159.6120646	490.1215228	417.9381325	300.7516202	172.6740638	228.4822645	268.6722015	526.8915877	311.5873613	418.4660284	177.8072214	230.9352721	270.4020578	119.8042334	363.1780413	480.5841347	147.5889815	349.7233277	461.5246283	522.3976721	271.0039054	290.2196264	299.5829031	472.1865649	210.5925075	290.348392	267.7252065	277.8537393	133.990385	137.0087149	247.8002155	58.65542327	93.0145496	331.0779469	150.8666595	293.5139727	327.1532524	482.7957437	233.2645705	344.3446596	311.2321176	362.9953919	280.0200107	182.3443515	335.1558836	199.5459806	342.2517982	565.6736728	295.7021971	182.052405	415.4169274	346.8767172	317.0777106	327.136552	240.9392547	318.1601086	425.6185786	319.5076959	287.411547	423.4965786	23.3935723	459.6051993	281.2852622	347.0621548	191.0823255	134.9648666	129.0472838	319.035893	323.4124539	182.9070272	246.1654086	135.4134631	254.7700474	416.5876694	369.0859384	354.0475592	281.0436112	188.1146182	479.5438839	201.274187	294.353009	485.552997	271.3604883	443.6941397	359.8174274	368.0857747	202.2758508	179.2831372	390.6788085	327.2441928	201.242412	239.9328428	366.2756405	369.63392	255.7304781	284.8115506	240.3240643	443.4667482	318.286555	134.0369512	284.9446472	327.685411	377.9536428	420.1055318	184.4570818	372.1515924	429.0617637	381.5912908	345.2648632	208.3337738	37.88662512	138.4447566	385.0462076	386.0165934	334.3228959	383.6460676	243.1277179	230.2716636	164.6212575	122.6100151	416.0058715	375.9596897	204.6226406	144.1684731	295.1906146	154.0386618	277.4715725	242.8813692	274.4190805	397.3859821	163.4506591	268.9056912	289.2160085	338.7071267	112.8197442	243.9152293	219.0076685	160.8666776	463.7626619	185.1607316	364.8529283	126.237675	288.9085202	431.8735864	341.8117019	161.4004091	457.0308404	302.8058182	262.4664011	357.330656	296.6737069	260.2682375	210.1195189	410.2044503	327.0319314	109.1250562	478.7958521	277.6508244	431.0187299	34.75269238	125.8251335	275.1604453	160.7711054	117.382086	308.7003717	475.8800791	114.4205382	158.1008854	217.3824978	290.3956813	460.0197685	348.6507524	471.3140429	321.2406337	160.3036548	179.2787208	390.1415494	342.668745	146.6511981	293.8806409	267.4900902	161.2383887	302.0591249	178.4330586	158.5149056	266.6533504	184.8042885	376.3915847	292.8641858	231.3041036	435.0444981	87.18746634	313.4096047	259.5482753	157.4546297	210.9300702	420.8797863	115.7564223	390.0920896	85.20608587	171.1337372	273.3625493	113.3498178	189.3745862	282.611896	184.2018123	157.6663899	251.4994433	373.3219286	72.11798696	303.6764349	251.4940515	231.8032326	121.6508321	143.5287988	267.9550747	198.896662	321.2433279	345.2573051	229.1171415	74.64821389	99.9272335	327.7872181	110.0935475	78.33524606	394.9455912	149.6144126	205.3076359	391.7723253	186.642904	382.605532	428.1659105	171.1906852	488.5591328	50.16789742	313.3511005	358.2893303	172.4152665	373.0556887	260.7053123
PFAmCEs_i, n=6	793.2959515	719.7316263	496.2962347	1071.112129	467.049235	351.6633812	1586.737792	480.0802948	1184.996623	845.0312365	959.8399719	587.7890783	413.3239813	1268.166843	360.7955044	725.7350678	473.8933663	1645.29131	713.362394	1186.252981	708.1921303	710.5708478	937.7433438	642.505157	491.3067844	474.0912742	1701.000215	343.0611961	808.6628021	962.8086246	1651.17867	537.5932927	1036.182805	884.8168052	253.1734624	803.3869462	376.790344	740.1927713	1461.577429	1420.997507	285.5859645	1358.678819	506.3163148	376.6640904	936.920842	1340.995102	759.0456074	649.9147649	632.9093679	616.7679007	759.1838261	635.353659	417.4683104	2217.723972	761.5784621	464.0843204	969.2067242	1610.385989	860.3769433	968.1833375	725.9873057	935.6358366	473.2803831	735.2002012	761.5928059	944.7631708	1830.0848	847.0591693	2530.677353	402.7328458	366.3984268	594.3203025	589.5477582	1355.288967	1332.685052	534.5331377	622.7208306	686.2307184	686.3638855	420.5663103	1310.273696	1629.846605	1242.817933	547.3318558	1769.981819	441.7604704	1570.171076	415.9353276	909.0322302	968.885677	469.7041019	919.3121975	354.7786578	2270.053499	839.9155482	1214.69616	1275.213327	595.6606047	646.8023207	709.2983865	1282.371952	900.250548	564.244465	540.2735381	454.4335446	1046.699842	775.3439438	515.7302058	822.0951639	766.7711631	384.77123	1233.689068	414.5378249	1924.539741	806.6045939	941.0476698	640.6066521	1112.353019	1906.058241	879.7550245	324.0566408	451.9395333	539.4861351	886.4826516	704.1720929	725.323825	1305.003709	618.2509374	289.1425883	889.4727215	564.6274665	1604.763505	890.0383345	717.3056947	844.759277	231.7713849	624.3315686	374.6411366	968.6003761	681.6355709	481.53499	608.4800941	339.9038215	580.4819194	1007.277009	966.2036299	1129.091718	1792.950072	3323.402785	560.2631938	1257.880213	409.165241	745.5745948	666.1349976	435.9948413	1322.939398	1240.503235	2057.596721	452.3498707	782.6183098	641.2719464	1658.306732	853.2328699	341.2131884	1071.739702	989.8025635	806.0797365	780.2781827	487.6577416	516.4351716	803.4205045	511.8556582	591.2350403	2221.679071	1303.332437	587.4154076	682.3612932	388.7607915	723.4240653	678.2175454	1027.807335	430.8427566	570.9442025	1786.649325	364.9198796	293.057053	1534.700509	1138.252808	791.2540377	305.8496949	1282.550773	1878.436597	896.5397156	1244.535162	321.2182543	738.0691297	822.6946575	415.4201775	1187.133547	1134.720617	1360.45527	1042.987325	859.7964864	1258.489185	766.2728679	931.8916225	608.868645	734.9439752	972.0849471	2423.740156	429.162879	387.7483127	447.3721308	822.1607147	888.6203356	350.6463563	435.211824	556.9394905	733.5495733	576.0856495	942.5835298	383.2558696	2109.880569	779.0483852	12459.16386	386.6840482	576.1697407	1014.666355	321.8515911	402.1564027	1057.137307	431.7590059	827.597267	1542.98585	1832.290746	554.8892679	424.5850246	792.6351913	924.2549469	1613.932984	776.4081796	971.0492489	1047.916268	754.7638471	1025.563075	954.2522577	1298.616838	699.1298689	350.1349918	1237.499301	779.4624436	919.5852634	724.2552875	3786.879834	1664.29008	1066.566213	1577.241097	464.7956027	981.7196904	249.1081427	354.8912172	541.3625683	915.1453033	650.6562222

metabolite_name	RefMet Name/Standardized Name*	PubChem Compound_ID	Kegg Id	m/z ratio	Retention time/index
dPAs n=0				146.9832819	0.74
mHPFLCA n=2				223.0202257	0.78
mOPFLCA n=2				244.9656189	1.12
n:2 FTOHs n=2				263.0127437	0.78
BPA sulfate ?				307.0675651	0.93
n:2 FTSPrAs n=2				351.0134869	0.85
mHPFLCA n=4				351.0379813	2.63
qaPFSMb n=3				362.0805939	0.77
dPFAm n=7				362.9816138	0.77
PFOA adduct				368.9763099	4.39
LCA				375.2901371	6.04
OPFLCA_i n=4				378.9554858	0.78
HPFLSA n=6				380.9510021	0.78
7-Ketolithocholic acid				389.2694004	4.43
6-Ketolithocholic acid_389.2694068_4.33				389.2694068	4.33
6-Ketolithocholic acid_389.2695135_3.93				389.2695135	3.93
12-Ketolithocholic acid				389.2695211	5.09
6-Ketolithocholic acid_389.2695314_3.97				389.2695314	3.97
UDCA				391.2850365	4.37
HDCA				391.2850734	4.62
DCA				391.2853781	5.5
PFHxS				398.9363242	3.9
7-oxo-DCA				405.2640064	3.73
HCA				407.2797273	3.8
CA				407.2800861	4.76
dPFAm n=8				412.9770407	1.13
PFNA adduct				418.9731581	4.86
n:2 FTSAs n=6				426.9601171	0.78
GLCA				432.3134773	5.54
qaPFSMe n=4				444.0831764	0.77
GUDCA				448.3063787	4
GHDCA				448.3063876	3.96
GCDCA				448.3065741	4.95
PFHpS				448.9331354	4.43
dPFLSA n=5				460.9329321	4.35
n:1 FTSAs n=7				462.9535101	0.77
GCA				464.3011599	4.39
PFDA adduct				468.9699781	5.27
K/d-O/CO-PFLSA n=8				476.9360186	0.78
TCDCA				498.2887908	4.93
TDCA				498.288832	5.04
L-PFOS				498.9296695	4.88
Br-PFOS				498.9297876	4.71
dPFAm n=10				512.9705434	0.77
PFDA				512.975965	5.02
TaMCA				514.2813216	3.42
TCA				514.2835939	4.35
Glycochenodeoxycholic acid-3-O-sulfate_528.2626581_3.58				528.2626581	3.58
Glycochenodeoxycholic acid-3-O-sulfate_528.2626977_3.54				528.2626977	3.54
1OH-n:2 FTSAs n=8				542.9611702	0.78
PFAmCACEs n=10				544.9566181	0.78
PFAABs n=7_pos				556.0753508	0.79
mHPFSO4_ii n=13				567.0058148	0.78
n:2 FTSO2PAs n=4				582.9838358	0.78
dPFAmCACEs n=4				606.9393656	0.78
qaPFSMf n=7				622.1043557	0.78
n:2 FTSAs n=10				626.9599959	0.77
PFAmCEs_i, n=6				856.9474537	4.39