Samples	17may15_004-r001	17may15_004-r002	17may15_005-r001	17may15_005-r002	17may15_006-r001	17may15_006-r002	17may15_007-r001	17may15_007-r002	17may15_008-r001	17may15_008-r002	17may15_009-r001	17may15_009-r002	17may15_010-r001	17may15_010-r002	17may15_011-r001	17may15_011-r002	17may15_012-r001	17may15_012-r002	17may15_013-r001	17may15_013-r002	17may15_014-r001	17may15_014-r002	17may15_015-r001	17may15_015-r002	17may15_016-r001	17may15_016-r002	17may15_017-r001	17may15_017-r002	17may15_018-r001	17may15_018-r002	17may15_019-r001	17may15_019-r002	17may15_020-r001	17may15_020-r002	17may15_021-r001	17may15_021-r002	17may15_022-r001	17may15_022-r002	17may15_023-r001	17may15_023-r002	17may15_024-r001	17may15_024-r002	17may15_025-r001	17may15_025-r002	17may15_026-r001	17may15_026-r002	17may15_027-r001	17may15_027-r002	17may15_028-r001	17may15_028-r002	17may15_029-r001	17may15_029-r002	17may15_030-r001	17may15_030-r002	17may15_031-r001	17may15_031-r002	17may15_032-r001	17may15_032-r002	17may15_033-r001	17may15_033-r002	17may15_034-r001	17may15_034-r002	17may15_035-r001	17may15_035-r002	17may15_036-r001	17may15_036-r002	17may15_037-r001	17may15_037-r002	17may15_038-r001	17may15_038-r002	17may15_039-r001	17may15_039-r002	17may15_040-r001	17may15_040-r002	18may15_004-r001	18may15_004-r002	18may15_005-r001	18may15_005-r002	18may15_006-r001	18may15_006-r002	18may15_007-r001	18may15_007-r002	18may15_008-r001	18may15_008-r002	18may15_009-r001	18may15_009-r002	18may15_010-r001	18may15_010-r002	18may15_011-r001	18may15_011-r002	18may15_012-r001	18may15_012-r002	18may15_013-r001	18may15_013-r002	18may15_014-r001	18may15_014-r002	18may15_015-r001	18may15_015-r002	18may15_016-r001	18may15_016-r002	18may15_017-r001	18may15_017-r002	18may15_018-r001	18may15_018-r002	18may15_019-r001	18may15_019-r002	18may15_020-r001	18may15_020-r002	18may15_021-r001	18may15_021-r002	18may15_022-r001	18may15_022-r002	18may15_023-r001	18may15_023-r002	18may15_024-r001	18may15_024-r002	18may15_025-r001	18may15_025-r002	18may15_026-r001	18may15_026-r002	18may15_027-r001	18may15_027-r002	18may15_028-r001	18may15_028-r002	18may15_029-r001	18may15_029-r002	18may15_030-r001	18may15_030-r002	18may15_031-r001	18may15_031-r002	18may15_032-r001	18may15_032-r002	18may15_033-r001	18may15_033-r002	18may15_034-r001	18may15_034-r002	18may15_035-r001	18may15_035-r002	18may15_038-r001	18may15_038-r002	18may15_039-r001	18may15_039-r002	18may15_040-r001	18may15_040-r002
Factors	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:Old-Curcumin | Time point:Pre | replicate:1	groups:Old-Curcumin | Time point:Pre | replicate:2	groups:Old-Curcumin | Time point:Post | replicate:1	groups:Old-Curcumin | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:Old-Placebo | Time point:Pre | replicate:1	groups:Old-Placebo | Time point:Pre | replicate:2	groups:Old-Placebo | Time point:Post | replicate:1	groups:Old-Placebo | Time point:Post | replicate:2	groups:young | Time point:Baseline | replicate:1	groups:young | Time point:Baseline | replicate:2
413.858@0.70853347	1	1	1	1	1	1	1	1	1	6651	1	1	1	1	1	4866	1	1	1	1	5573	1	1	1	1	1	1	1	1	1	3734	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3578	1	1	1	1	1	1	1	1	1	1	1	1	1	3094	1	1	1	1	1	1	1	1	1	1	1	1	6305	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7659	1	1	1	1	1	1	1	1	1	1	1	1	1	4914	1	1	1	1	1	1	4771	6467	1	1	1	1	1	1	1	1	1	1	1	3943	7389	1	1	1	5129	1	1	1	1	1	1	3740	1	1
440.0761@0.6910459	43039	43772	1	1	1	1	1	1	1	1	48904	47747	1	1	1	1	1	1	1	1	1	1	32889	36158	14109	13297	65442	65321	36637	38399	100550	102169	126140	138086	17009	16699	9085	9711	18387	20778	94440	86907	113090	100868	1	1	27807	28833	1	1	1	6211	24465	12963	24552	26865	14005	12617	20954	20263	7269	1	1	7261	81270	83586	26171	29021	8788	1	12725	12789	6166	1	49610	50981	13529	13273	23062	20330	10724	9692	1	1	17017	16087	8824	8920	1	1	27712	25127	15011	13891	21774	26642	67700	67364	30397	33660	1	1	1	1	59434	1	1	1	27154	27892	69251	56065	88585	97718	25468	24891	77446	84291	61334	59337	74491	68545	1	1	1	1	14089	1	1	1	1	1	1	5548	1	1	1	1	1	1	1	1	63676	62250
542.0147@0.6911163	14749	14838	1	1	1	1	1	1	1	1	21477	20348	1	1	1	1	1	1	1	1	1	1	17374	16398	6411	6920	27195	30687	13218	13022	41905	42309	56270	59948	1	1	1	1	9138	8192	41424	41801	39125	42009	1	1	13748	14416	1	1	1	1	4882	1	13610	11202	6149	7364	9920	10457	1	1	1	1	37466	42045	15112	14719	1	1	6969	1	1	1	26758	23864	1	1	9812	11413	1	1	1	1	1	8301	1	1	1	1	12070	13225	7707	7637	11244	12724	32946	32194	16465	13894	1	1	1	1	30195	1	1	1	13864	13365	31033	30888	40105	39764	11354	12060	40378	42209	29209	28635	35157	36297	1	1	1	1	8082	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34552	35235
565.0907@0.69125646	23986	23943	1	1	1	1	1	1	1	1	31009	30587	1	1	1	1	1	1	1	1	1	1	24513	23772	9989	8202	40835	41637	23241	21643	60756	65423	85652	86330	10193	10358	4947	4931	12488	15043	60785	57528	58565	63265	1	1	17789	17486	1	1	1	1	7564	7671	16359	15948	8657	8353	12668	11888	1	4876	1	1	55547	54734	17847	15593	1	5328	8686	9010	1	1	32377	32321	1	7819	14792	15330	6451	6635	1	1	9759	10000	1	5967	1	1	18106	15734	8572	8797	14937	13359	40973	41642	19809	21542	1	1	1	1	36866	1	1	1	16911	16750	42080	40066	54284	57957	15527	16677	51606	52379	35849	32975	43679	44043	1	1	1	1	8415	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42593	40944
418.0785@0.7215334	7993	1	1	81539	1	1	1	1	1	20331	1	1	1	1	19409	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43095	1	36426	45613	1	1	1	1	1	1	1	1	1	1	28544	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33265	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24018	1	1	1	77212	1	1	1	1	1	30693	1	1	1	1	1	1	1	1	1	38200	1	1	1	1	37315	1	1	1	1	31398	1	1	1	1	1	1	1	1
667.0658@0.7038285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7151	6198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14290	14155	1	1	1	1	1	1	1	1	1519731	1501739	1	1	1	3739	11628	10554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4893	1	1	1	1	1	1	1	1	1	1	1	3063	1	1	1	5016	5297	1	1	4974	1	4522	5120	5074	4697	9245	7333	5059	5223	4014	4562	1551281	1556585	1	1	3744	4395	2745	1	324263	328247	368353	361501	1	1	1	2572	1	3922	1	1
154.9995@0.70462954	227396	153369	101583	72151	64298	56567	57004	53213	1	53136	49009	51646	50102	50925	53928	53533	54413	57628	58879	57365	1	52932	55585	51445	51465	48467	52195	53290	59444	56076	59884	61532	61852	72201	75707	78352	81128	75060	78360	82994	77365	80052	81330	82016	84579	83505	85133	88419	88299	107529	107262	104868	103351	106999	104451	101694	98318	94012	91095	87043	87083	88769	88177	90324	90922	90446	93435	93428	92492	94632	87831	83466	84098	84851	86282	89473	83787	86590	94082	97644	98817	104265	100765	101044	98146	100864	102058	105764	110736	105284	104217	100957	107070	109359	111077	108209	109661	113416	112639	114146	122471	117447	115534	119005	123859	1	122209	121838	120783	121545	122385	118276	127879	116919	122469	120593	124352	130921	128324	122438	125103	133296	126518	127035	115625	107010	110836	1	112582	116106	116332	111709	109941	101711	100079	92333	88167	91413	83487	87364	91358	91050	94567	97725
175.9896@0.70496553	131645	111290	99681	90768	87429	87052	86007	89814	1	82883	80873	84668	86852	89732	88092	89708	89388	92516	94532	99165	93695	90070	89148	87251	91691	85912	92726	90076	90328	88778	97760	98654	101078	106612	105383	113867	115538	110927	117562	114658	116156	114755	113321	112794	117784	113295	114836	119880	113612	132172	132332	128457	133519	129123	134847	131906	127208	126693	116963	109555	109592	109738	108826	109617	115351	118077	117936	117291	121431	117064	111532	112670	115988	115674	122358	120303	112575	112052	120312	118462	120351	131610	128362	118713	116757	118384	121751	123093	130029	125657	120024	118605	119731	125576	123330	123825	127945	124073	125967	122806	131885	131082	129094	127445	133327	1	137537	131910	129588	132154	132775	131171	141529	136602	142944	135468	138999	137320	140439	129334	144428	146974	149057	146150	130466	128166	136346	1	129979	137087	143274	140873	136074	130297	126396	115984	118948	125478	112575	115555	114805	119424	124638	125879
132.9976@0.7058146	47611	43112	39244	32737	1	33932	33536	35521	1	35246	33399	35227	36960	36536	1	39125	37613	41555	1	40464	1	40525	40738	39257	38880	37819	38845	41296	1	1	42557	37989	42417	43407	46344	44090	42246	43473	41934	42281	40898	40903	42193	44885	42511	45544	40776	43714	40664	52463	47979	46794	46735	44642	44789	44730	41135	44772	42495	39294	39173	36044	40755	39508	40955	39094	41468	38339	40950	1	42926	39969	39389	40709	44388	39472	1	41065	41524	40650	42953	44322	45450	42007	37715	1	41831	43254	43781	1	40331	40859	40016	42744	44321	44574	41268	42774	42759	44338	46927	44937	42103	46184	45294	1	47405	45794	43791	42395	48225	43545	48339	46979	1	47424	47475	50249	44653	46842	50339	49705	48467	47764	48539	43448	47582	1	44577	46423	47542	47115	45020	41777	46169	41392	44218	44133	41827	1	41603	44017	43041	44662
488.2142@0.7101538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6477	7438	1	1	6876	7656	12553	12907	11593	13287	1	1	1	1	5192	1	1	1	1	1	1	1	1	1	11090	10982	1	1	13123	11918	1	1	1	1	1	1
499.9361@0.7129028	22343	22947	109905	111238	129031	133383	60553	60566	1	57078	1	1	47967	50388	48659	48486	1	1	1	18193	40330	41667	54120	50198	51271	47960	60183	62663	61122	60736	41983	43901	30068	29393	24740	25165	33153	33855	32891	30734	37228	36564	36684	40949	52957	51441	15752	1	14926	1	108493	104529	94014	97064	33942	34490	33357	33654	76415	76694	44026	44460	43419	39324	1	12841	1	1	1	13329	13797	1	81868	84495	22703	23233	53859	54597	50776	50331	1	1	1	1	37977	35162	129502	132278	115717	118080	37484	37636	38854	39016	103528	106341	32205	34969	32407	32648	24598	22444	20472	23147	74329	1	83623	84787	73561	76360	121606	119789	131972	133455	33709	32111	29669	30815	51567	53447	35198	34198	27748	26624	32867	31729	33928	1	58869	60658	61865	63832	1	13529	24312	23874	23174	21409	42632	39786	43184	44450	45176	45210
399.9428@0.715147	1	1	1	1	1	12200	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12588	1	1	1	1	1	9670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47856	45948	42114	40416	1	1	1	1	28682	31761	1	1	11837	1	1	1	1	1	1	1	1	1	1	1	1	16325	15763	16810	17221	17031	1	1	1	1	1	1	14901	1	15486	1	1	1	1	1	34378	34920	1	1	1	1	1	1	1	1	41549	1	38872	41965	38946	36436	27200	24305	27215	26957	32885	29076	27746	27703	1	1	1	1	1	1	1	1	1	1	17855	1	16729	1	1	1	1	1	1	1	1	1	1	1	1	1
280.0211@0.72375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18199	17644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	32786	31924	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
310.014@0.72675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17688	17649	1	1	1	1	1	1	36155	35504	1	1	1	1	1	1	1	1	1	1	1	1	16752	15607	1	12219	21147	21376	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	95309	94294	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17548	1	1	18334	18291	1	1	1	1	1	1	16035	16559	1	1	1	1	11359	1	1	1	1	1	1	1	1	1	66358	67337	56546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
272.0639@0.73055565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3851	1	1	1	1	1	1	4684	7810	1	1	1	20340	1	1	16345	1	12992	9649	9007	1	1	9362	1	14421	16025	21402	21012	14944	16817	1	1	1	1	1	1	1	1	10663	11973	9535	1	1	1	1	1	1	1	1	1	1	1
218.0246@0.7288947	1	1	9615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6648	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10978	1	1	1	1	1	1	1	1	1	1	1	1	1	27672	27439	1	1	1	1	1	1	1	14247	1	1	1	10895	1	1	1	1	19122	17726	11472	1	1	1	1	1	1	1	1	1	1	1	1	1	16062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8938	1	1	1	1	1	1	1	1	1	1	11191	1	1	1	11992	12303	44520	1	1	1	42580	44796	1	1	1	7439	1	1	1	1	1	1	1	1
438.0605@0.7299302	25136	27020	1	1	1	1	1	1	1	1	45709	46330	1	1	1	5059	1	1	1	1	1	1	49715	42297	19749	21498	59416	61030	42118	38257	41964	44678	65348	63149	1	5178	18558	17866	34612	32632	162954	160590	184883	206924	1	1	13902	11804	1	1	1	1	6857	6647	8782	7768	1	1	23463	24583	1	1	1	1	164283	161931	62387	61805	1	1	1	1	1	1	31634	32114	12734	15414	15360	16228	1	6221	1	1	10309	12235	1	1	1	1	16509	16669	13267	13351	15153	12083	49665	48880	25871	22433	1	1	1	1	20083	1	1	1	39491	37756	51028	53249	125583	112916	1	1	98977	94854	111511	110019	59543	66790	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	89641	89709
214.0594@0.74296665	1	1	1	1	4121	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5826	1	1	1	1	1	1	1	1	4052	1	6359	1	1	1	1	1	1	1	1	6268	1	1	1	1	5793	12578	11090	16066	17984	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12419	1	1	1	1	1	5943	6378	7085	1	1	1	6084	1	1	1	1	1	8898	6658	5228	1	14016	9083	1	1	1	1	10019	1	23763	9477	1	1	15414	1	1	1	1	1	1	1	1	1	1	1	1	1	7430	1	1	12775	1	1	1	1	5663	4285	1	1	1	1	2919	1	1	6004
2,4.6-Trichloroanisole	82742	88768	90547	104972	109515	110333	228463	236641	1	252478	106765	114071	134564	139262	144319	148848	200122	209760	200510	201620	118440	118073	166204	168745	175035	163225	87468	89288	89317	85424	189130	187011	153062	157684	140796	136991	142200	137474	142719	133755	226439	223748	230935	236315	93438	86456	161331	162463	160158	171771	251721	243436	226104	227066	159780	159227	147621	156374	162673	162758	126064	125898	115169	120675	115143	112619	106756	107155	110930	119582	128783	119151	84689	81518	63125	44815	116018	120821	140467	138433	162442	159051	156344	157474	74778	70510	215121	224622	186942	189796	125515	132865	103475	109993	173153	172553	128239	127215	119249	124425	60847	84839	94648	88950	103175	1	195254	199631	207881	212823	142589	132183	133990	134923	219827	212809	219433	226152	95935	90416	163164	166082	133177	136962	99669	93433	111003	1	83989	88174	97923	101628	77839	78642	321599	314606	285964	281056	107129	110705	124508	128059	128353	138846
244.0039@0.73296547	1	1	1	1	1	1	1	1	1	1	1	1	1	3657	1	1	1	1	1	1	1	1	1	1	1	1	11340	11701	9905	1	1	1	1	1	1	1	1	1	1	1	10387	12451	1	1	28726	27462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12857	1	14746	13396	1	11127	1	1	1	1	1	1	23158	25445	14659	14744	1	1	1	1	1	1	1	1	1	1	16421	15284	15554	15410	1	1	1	1	9440	1	1	1	1	1	1	1	1	1	11765	11822	1	1	1	1	1	1	1	1	1	1	11065	1	1	1	9320	1	20272	1	1	11753	28220	27456	1	1	1	1	1	1	1	1	1	1	1	1
330.9209@0.7339911	6075	1	7915	5132	1	2928	17225	18248	1	15188	1	1	9626	8513	6146	6702	1	1	9793	9227	15417	12767	11004	12480	15373	12511	1	8745	12486	16277	14298	11572	8170	1	9038	9929	1	1	1	1	10599	7522	8348	11225	1	1	21817	20749	12666	12259	9855	9178	4181	7068	4700	7491	8945	1	11643	11533	14486	14401	18385	19839	7152	9651	16335	15171	9592	10259	10987	13331	9787	10789	1	1	15914	10882	13047	12390	1	5580	11954	9640	9122	13845	1	1	4083	1	15481	16726	14339	11530	11215	11234	1	1	15122	15040	1	1	5677	1	16802	1	5851	5842	10133	11135	8414	7430	8845	8281	12664	16572	1	5780	17394	16003	9948	8267	7619	11250	10475	11104	20102	1	11173	10576	20354	19910	3290	1	9652	6467	7628	11632	1	1	1	1	11162	5698
Hydroquinone	23475	24652	18991	17670	1	1	64006	68390	1	44577	11636	10453	24832	27269	19933	19316	1	16710	24917	25564	46305	42355	44973	45746	63604	60786	46137	47521	57400	55344	41037	42181	19689	22315	29454	28767	11112	11248	1	11099	27921	30229	34938	37161	45984	46439	80123	84365	53029	52724	36962	33110	17287	19426	16046	20548	15537	14326	54590	54520	75344	73345	91274	94644	25274	26016	75187	76352	33751	32878	56115	55633	43250	45442	1	19772	58514	56453	60685	64173	1	22402	36480	31126	43525	45725	15170	1	1	1	66347	66289	50126	49372	43832	46593	23024	26950	77138	70539	21122	22245	23339	28020	108334	1	1	25079	48584	46450	29765	28891	31751	30759	61255	62163	19167	20041	90993	89127	43796	41024	37758	45875	40991	41776	106770	1	51845	54997	116860	119929	17388	16579	34991	33529	43207	39990	1	1	15265	16088	30011	27679
C7 H8 O5 S	27647	22695	105778	106987	59330	59254	42173	44109	1	1	63440	65799	21744	24126	65582	63095	57293	62923	48094	50615	21230	21216	37681	39348	99211	93102	48370	47995	48617	49202	32624	37224	43998	49581	39319	38977	64803	63551	29444	24430	25603	27519	24226	23784	24894	27722	31688	32283	18315	1	111097	107975	85753	84067	29249	26183	36575	36949	28448	33006	227373	226164	146760	143823	39077	42588	93761	93888	134839	135319	260831	254081	48819	46969	26381	25947	43136	43589	72369	69888	19590	21276	46832	43944	1	35507	41389	43400	69126	70418	48967	49547	65522	62564	42913	41588	1	16676	36469	36084	11287	1	47542	37753	12790	1	154453	150637	113005	116283	83455	74267	162385	163192	175093	171646	60215	58611	54728	54647	58368	60933	51038	49897	120143	124064	148283	1	73579	78051	193329	193159	21016	20176	64571	64432	76674	82248	82065	81731	50798	54559	17480	17951
256.9206@0.73473924	1	1	1	1	1	1	12235	13710	1	8854	1	1	6028	1	1	1	1	1	1	1	9104	9909	8044	9173	12109	12124	9253	8609	10434	10920	8577	1	1	1	6786	6053	1	1	1	1	1	1	7762	6836	8035	1	13870	13941	1	9132	7797	1	1	1	1	1	1	1	8692	8956	12168	11184	13748	14162	1	1	11679	11497	1	1	1	8698	1	7440	1	1	9696	9880	9897	11033	1	1	5705	1	1	8071	1	1	1	1	10482	10233	8337	1	7506	8406	1	1	12414	11319	1	1	1	1	15324	1	1	4156	8455	7419	5750	4795	1	1	10095	10042	1	1	12657	14212	1	1	7073	1	6420	7409	13868	1	8937	10041	16009	16878	1	1	5868	5755	8399	8034	1	1	1	1	1	1
C18 H3 N O S3	1	1	6105	8684	1	1	1	5518	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7325	6381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4490	4089	1	1	8501	6828	1	1	1	1	1	1	1	1	13501	11865	11835	8244	1	1	5991	1	8664	7629	14412	14025	1	1	1	1	1	1	1	1	1	1	1	1	1	2878	1	1	1	1	4139	1	1	1	1	1	1	1	1	6477	1	1	1	1	1	1	7359	8783	7024	6937	1	1	9610	11193	11255	11377	1	1	1	1	1	1	3814	1	1	5872	7778	1	5389	1	11250	12269	1	1	4285	1	1	6733	1	3856	1	1	1	1
556.0303@0.7359384	1	4350	1	1	1	1	1	1	1	1	16988	17770	1	1	1	1	1	1	1	1	1	1	12441	15311	1	1	11890	14440	6347	7070	20084	22403	39144	40610	11310	12266	1	6431	12238	11588	33740	34352	31877	28979	1	1	8706	10494	1	1	1	1	1	5295	16412	18022	6275	1	13927	15682	1	1	1	1	28624	27297	1	6287	1	1	1	1	1	1	13883	13777	1	1	13995	11885	1	3964	1	1	8573	7857	1	5636	1	1	9328	9957	4143	1	23595	25135	43550	39225	15848	13952	1	1	1	1	24641	1	1	1	20749	22922	1	1	1	1	12251	12377	31646	33434	10423	9551	38298	37486	1	5649	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5517	1	41600	40637
189.9937@0.73453933	121177	118365	91162	90289	70368	78050	339886	356233	1	255414	49208	50671	137540	149598	111659	111729	67102	73266	126476	131644	237548	249386	255257	244106	351521	366772	270062	265913	331142	347067	236964	243620	116314	114056	168810	169966	62599	54989	62568	57509	162951	163966	170789	227760	199289	262119	468602	500007	288260	216680	210059	205094	101557	94250	82240	96809	80213	75645	300270	252170	275369	393844	366991	497545	134429	139448	259376	415184	174239	136187	299615	293764	233070	245672	124831	128627	354253	321239	340206	326276	126952	132183	190849	183786	233283	274961	78986	81816	75801	75289	370371	374814	279830	293708	307516	252689	145620	140093	425166	470331	116784	118537	139338	147730	564019	62106	129947	129745	234714	259164	166348	158001	163332	160177	363748	342697	113786	105085	382378	498029	256004	244880	240265	228548	1	180546	558268	1	213104	237373	455773	597351	104932	105073	183880	162754	240440	222781	85844	74008	83922	84083	143371	144213
274.0795@0.7338421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4976	1	1	1	1	1	1	1	1	1	31401	33203	1	1	1	1	1	1	10485	1	1	1	34674	35562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14280	1	27585	27552	1	15320	21995	21124	1	1	1	1	1	1	1	1	18753	19613	1	1	1	1	1	1	10500	1	1	12284	1	1	14126	13132	1	1	11624	1	1	1	1	1
267.0244@0.7363819	1	4235	1	1	1	1	1	1	1	1	9656	9606	1	1	1	1	1	1	1	1	1	1	9049	8883	1	1	9384	10195	7178	1	14320	13390	28519	24649	1	7436	1	1	7424	6751	23999	27854	26850	26846	1	1	9725	9776	1	1	1	1	1	1	7897	8538	1	1	11197	9343	1	1	1	1	17488	19536	3106	1	1	1	1	1	1	1	8107	6012	1	4230	10571	8689	1	1	1	1	3914	4707	1	1	1	1	6963	5909	1	1	13402	12640	21087	26625	8128	11903	1	1	1	1	24647	1	1	1	14457	14131	1	1	1	1	6614	6848	21112	19564	1	4444	29836	28591	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26024	25208
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230.8679@0.7704721	62756	69994	1	1	50361	48482	85337	105872	1	72629	82244	83831	88222	87595	134788	123514	46207	46726	57345	58825	131788	144374	170227	152289	155906	149952	203273	226627	165138	156910	218796	216351	48914	47091	1	1	282626	291214	329992	312587	60775	64413	138002	142853	1	1	51068	55090	76453	99000	140022	138578	95652	98813	80819	81007	99461	99743	1	1	390607	422354	1	1	1	1	1	1	408484	417302	349702	325593	60615	64366	1	1	226986	227626	250992	258190	153376	148688	157217	156127	130765	139673	302689	313142	1	340029	134869	148733	181792	185485	82178	88670	261748	259599	259161	246306	137189	129457	1	31893	80157	77836	120841	123782	78538	73646	164297	168974	172405	164957	53180	50091	49395	46553	210923	189149	186473	180900	1	29892	80618	80496	99893	1	121608	126081	80741	70937	100140	94907	44442	43152	77536	73558	70078	66812	137389	138562	224447	235740
C7 H2 O5 S5	33730	38797	16345	17798	37408	39142	43853	49783	1	33322	38986	40965	30624	29904	56638	48950	47951	46473	49793	52264	41695	45953	70983	61765	67101	70483	46981	52141	50187	50959	46992	45142	53149	50764	1	1	87826	91639	56022	56392	36451	42794	45153	46927	23426	25280	51993	52302	54296	61407	67411	65681	70343	72448	49346	47618	62353	58044	1	1	66269	69958	81673	86654	1	13043	1	1	66599	69731	84192	79595	34769	32791	1	1	43846	44868	54588	56829	38165	38367	45395	46780	38753	39553	55680	56461	67863	68770	38219	39327	42060	41913	38666	40554	43008	42019	45262	42830	38286	35553	31221	31384	55969	53553	85785	87544	66423	64041	50476	48547	52411	49050	51921	50340	41684	41917	62315	58128	74603	72685	38334	40891	74358	72565	80113	1	75130	82893	57902	62156	37437	35505	48172	48636	51914	49454	53120	55245	43986	45231	38781	43037
1092.2703@0.77374077	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5843	5989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4670	5379	1	1	1	1	1	1	1	1	1	1	1	1	1	3563	4034	3657	1	1	1	1	1	1	6090	6652	5487	5338	1	1	1	1	4041	4128	3644	2736	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4234	4640	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3512	1	4495	1	1	1	1	4795	1	5611	1	1	1	3527	1	1	1	1	1	1	1	4454	3651	1	3141	1	1	6176	4904	1	1	1	1	1	1	1	1
817.1514@0.77111757	8280	8551	1	1	1	1	7538	9030	1	1	1	1	1	1	1	1	3893	1	1	1	1	1	1	6821	12202	10962	1	1	1	1	1	1	8669	1	1	1	1	10647	1	1	1	1	1	1	1	1	14030	14930	1	1	1	10724	1	1	11367	14309	20873	21114	10626	1	6847	7238	9037	1	1	1	1	1	16384	16901	13977	12736	1	1	1	1	1	1	13540	13275	1	1	1	1	1	1	1	1	5687	1	1	1	1	1	1	1	1	1	1	1	1	1	14090	14894	1	1	12861	13301	8806	8358	1	1	1	1	1	10409	1	1	1	1	13121	14847	28500	30285	31857	34432	28206	1	15183	14282	12031	11992	1	1	10087	10973	10609	1	24756	25701	1	1	1	1
486.0986@0.77242285	7496	1	1	1	7656	8503	1	11250	1	7372	8165	1	5505	6713	13575	11914	8211	7572	8072	9941	7816	10543	13741	13998	13716	13421	9389	11463	11185	11750	11506	10931	9215	8786	1	1	15856	17253	13918	12089	9129	9740	9675	10734	5530	1	9622	8505	9328	12771	12774	11723	13162	11207	9181	11344	12013	12885	1	1	11789	12039	13624	16062	1	1	1	1	14433	14622	16208	15224	1	8251	1	1	9698	8548	15290	13734	7572	7930	10503	11005	8445	8555	10632	11142	14924	15682	8307	8177	9670	1	7991	9873	1	1	1	10061	1	1	7280	7511	9776	11066	15012	13050	11032	10817	11266	10889	10909	11209	9397	9804	8349	7551	1	13106	14895	14458	6547	6767	12898	13465	13270	1	11741	13213	11004	11744	1	7554	9043	8228	12051	1	11134	11715	9922	9565	8191	8952
979.9851@0.7721497	19140	17466	13419	15594	25943	67705	88280	71867	1	68644	62621	52503	46891	63980	67558	55473	32418	38381	35496	34608	39644	47195	42626	46957	49763	57329	51464	70545	50350	53069	47698	57744	35912	36755	20827	25043	69695	60651	66747	61692	32199	27220	38367	46402	27332	22825	25490	28278	39315	44568	45653	48208	32067	35085	32162	38201	37546	36290	10068	13962	114174	116964	103832	78165	21353	17585	8999	7161	56983	61675	1	55912	34673	33952	23861	25183	65477	68734	69038	62136	59870	60342	55179	57592	47140	46471	77757	70936	78358	80084	48956	49842	46287	43632	44344	41181	62227	68037	58913	78328	46074	46950	30763	27451	32457	33098	41530	46341	35630	34730	49346	39611	47138	51111	31918	42749	37069	36253	66838	62883	57384	60788	29949	33668	41139	42477	50672	1	41335	59772	46839	44548	47408	48683	33042	31926	39436	38772	39196	29454	44530	47110	52816	57185
158.9082@0.7712898	479497	457917	271205	264749	404441	407698	541934	510115	1	385384	378305	378244	385265	374801	445153	457410	347641	358340	336400	321303	395654	400670	451692	444689	417178	404856	428719	404779	353086	354349	424028	425281	245559	262577	121949	117322	561719	533938	564627	571903	214149	212764	310386	318122	161716	151805	255623	264099	296907	309040	429035	408405	319384	315655	284432	290302	312069	313476	71169	63143	814383	775722	738614	678712	95360	105790	48676	47926	720268	740312	638326	634217	205337	200310	76293	74922	432455	435188	493682	479845	281054	286022	312919	316589	272725	271637	540010	552443	637828	631898	282815	285920	344131	365244	238226	227599	474079	481862	441648	458076	281755	279869	167392	165793	269413	275603	382949	381918	284831	292590	378268	361791	368138	356286	234085	244127	203368	218097	389066	393759	400577	423536	175100	163296	288761	303204	319401	1	346791	352003	263926	260646	216965	219548	199417	209377	221083	234417	218413	240446	286721	286993	387231	368170
286.8852@0.7711739	1	1	1	1	1	1	1	2930	1	1	1	1	1	1	3935	1	1	1	1	1	3324	1	1	4018	5480	1	1	1	4866	4253	4280	1	1	4508	1	1	1	7346	1	1	1	4468	1	1	1	1	1	1	1	5968	5706	1	1	1	1	4219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4235	1	1	1	1	1	1	1	1	1	1	5727	4459	5430	1	6298	1	1	1	4794	1	1	1	1	6565	1	1	1	1	1	1	1	1	1	1	1	1	5734	1	1	1	1	1	1	1	1	1	1	1	7160	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
242.8684@0.77107376	1	5388	1	1	7092	7382	10944	10710	1	10647	12863	11989	11102	10581	14572	13220	9075	8475	9747	9199	13497	14515	17789	15649	14921	15873	13529	19611	13346	14463	18157	17213	10001	8416	1	1	21672	21212	19127	22004	10524	11638	17583	15584	9159	8032	9634	9620	12100	10905	15615	11799	13835	13827	12697	12161	14736	13782	1	1	19450	1	17762	17963	1	1	1	1	17875	1	19604	1	12294	11040	1	1	16429	16147	14513	16956	14799	15548	15992	14406	13643	14779	20482	20740	15516	18729	14012	15766	16383	15983	13220	12502	18016	17545	19038	18174	14691	12280	1	8095	11780	10542	15049	14128	12768	10456	15361	16460	13968	1	8917	8506	9808	8942	17040	17485	16891	17394	6577	1	12723	11504	11385	1	14602	13381	12617	11029	15276	13123	9553	10056	12007	10861	10068	10174	14776	14152	16102	17946
267.8722@0.77228004	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5921	1	1	1	7367	1	1	7568	1	1	7542	1	6514	1	1	1	1	1	1	1	1	10260	1	1	1	1	1	1	1	1	1	1	1	6246	1	8121	1	8977	1	1	6450	1	6333	1	1	1	1	1	1	1	1	1	1	1	1	1	10293	1	1	1	1	1	1	1	6159	1	1	1	1	1	1	1	1	1	8032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11720	1	9902	6856	1	1	1	1	1	1	1	1	1	8387	1	1	1	1	7533	11053	1	1	8423	1	1	1	1	1	5888	1	1	1	8457	5724	6046	1	1
C25 H28 N3 O3 S3	1	5630	1	1	1	4269	5528	6196	1	1	5068	5401	4119	1	7120	5755	10041	10133	5950	9830	1	6488	10037	9257	11755	9069	6249	6801	6935	6638	5752	4960	1	7018	1	1	20944	17111	8240	7571	1	1	6022	6027	3942	1	10199	8002	7154	9344	12461	9794	15270	14766	7597	10558	12817	12169	1	1	1	8891	20746	1	1	1	1	1	8471	9908	15302	16442	1	1	1	1	1	5423	8799	8309	1	1	6087	5891	1	1	7712	10413	9432	15305	1	5802	1	6555	1	5155	5947	5832	6389	5419	1	5112	1	1	6956	7687	15106	21325	14420	17927	7958	7316	8372	7548	10249	7981	1	5277	9718	8798	12930	8737	7677	1	12481	10302	12555	1	16633	15601	8127	10063	1	1	9545	11459	6927	7782	10966	11201	1	7565	4618	5979
864.1545@0.77424	1	4942	10880	9924	1	4876	8978	8579	1	1	11320	12689	1	1	10633	10887	14013	14850	13730	13207	1	1	10481	10622	9843	9386	1	1	1	1	1	4958	8857	8186	7169	7102	13414	12702	12178	12143	1	8286	1	1	1	1	9423	8756	5224	7066	11791	11063	10411	10601	1	1	1	1	8718	6741	13420	1	1	10688	14733	15117	13105	11599	10887	10819	10240	9608	1	1	13714	13127	1	1	1	1	1	1	1	4578	1	1	14809	14712	13019	11864	1	1	1	1	1	1	8478	6370	1	1	1	1	1	1	1	1	9281	1	13003	11470	1	1	1	1	12187	12332	16420	17205	9615	10342	10242	10084	1	1	1	1	1	1	11824	1	9742	10082	1	1	14893	15180	8521	8470	1	1	1	1	1	1
892.0376@0.77328	1	1	4168	1	1	1	1	1	1	1	1	1	1	1	1	1	5918	5764	3620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5390	5075	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3631	3566	1	1	1	1	1	1	4813	5563	3996	4431	1	1	1	1	1	1	3928	3461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3313	3832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3394	3843	4313	4354	1	1	1	1	1	3893	1	1	1	1	1	1	1	1	1	1	1	1	3603	3115	1	1	1	1	3669	3309	1	1	1	1	1	1	1	1
287.9389@0.77417636	8677	1	14533	14551	9601	9760	11273	1	1	1	1	1	1	1	1	1	12998	14167	12515	10575	1	1	1	1	1	1	1	1	1	1	1	1	9371	9058	1	9045	1	1	1	1	6849	1	1	1	1	1	1	9845	1	1	1	1	10626	1	1	1	1	1	1	1	1	1	1	1	9125	8832	10182	11125	1	1	1	1	1	1	7048	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13733	11597	10867	1	1	1	1	11639	12206	9648	9122	1	1	1	1	1	1	1	1	7238	1	1	1	8103	8645	1	1	10678	8653	6533	1	1	1	1	1	1	1
808.0912@0.77092856	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6171	6987	1	1	1	1	1	1	1	1	4908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4818	4223	14169	14284	1	8031	1	5149	1	1	1	1	1	1	1	1	1	1	1	1	1	4332	1	5191	1	1	4879	1	1	1	1	1	5010	1	1	1	1	4476	1	1	1	1
C13 H2 N O4 S	4819	1	6193	5308	5995	5888	6545	7737	1	1	1	1	1	1	1	7884	9291	9805	9114	9705	1	1	1	1	8304	7394	1	1	1	1	1	1	7505	8162	4652	5653	14414	13756	1	1	1	1	1	1	1	1	7564	8996	7245	7006	9342	9217	10826	11971	1	5496	4798	5285	1	1	14783	17052	18141	17030	6763	7599	1	1	14565	12461	17301	14024	1	1	1	1	1	1	1	5046	1	1	1	1	1	1	1	1	1	13319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19603	17812	13690	12890	1	1	1	1	12173	11836	9397	7774	1	1	10541	9929	1	1	7464	1	10415	1	14138	14910	9560	9877	1	1	10248	10717	7339	1	1	4642	1	1	1	1
302.8409@0.77234143	1	1	1	1	1	1	1	1	1	1	1	13987	1	1	1	1	1	1	15532	15841	1	1	1	1	1	1	1	1	1	1	1	1	20265	19357	1	15334	1	1	1	1	17214	18773	17357	17063	13401	1	16187	16952	1	1	1	1	18455	19978	18937	16855	19091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15589	1	1	1	1	1	1	1	17322	1	1	1	1	1	1	1	1	1	1	1	1	15865	15931	1	1	1	1	15452	17390	15511	16458	1	1	1	1	1	17559	1	1	1	1	1	1	18330	16686	1	1	1	1	1	18147	1	18688	1	1	19693	20027	1	16570	18022	15407	1	19724	18966	17067	17828	17003	1	1	1	1
654.1571@0.77432036	11168	8999	20484	21254	11164	10344	17412	17707	1	1	18287	17761	1	1	18788	19216	30081	28880	24667	24510	10448	9021	20192	19106	20017	20586	1	1	1	1	1	7694	19419	18895	14572	14842	27702	29108	20611	20553	12819	13462	1	1	1	1	17770	18214	14217	11501	23225	22202	26582	23924	8704	7036	1	1	15045	15491	31774	29906	28116	26051	25265	25308	23787	23789	22801	23642	23540	23698	1	1	21543	20212	10552	1	1	1	1	1	9977	10274	1	1	24291	24687	25746	26333	1	1	1	1	13288	13168	10872	11584	1	6918	1	1	1	1	1	1	26359	25086	28248	27273	6146	7365	5930	1	27761	27407	27113	29252	18769	16853	20943	21940	1	4798	1	3887	6489	1	26103	25187	21036	19803	8149	1	27571	28302	16566	16563	1	1	1	7063	1	6534
398.0093@0.77476686	36852	36950	55535	55431	35696	33998	50275	50602	1	16880	56842	55305	28231	27032	48784	52705	71775	74863	66121	60878	38731	39539	56547	56686	55773	52440	16510	16868	1	7849	35660	33910	51279	51514	45938	44974	71180	70464	53899	56485	45632	44201	19896	18336	31749	32820	51170	51506	40655	38247	59195	55815	59129	59409	29524	32155	21519	21020	42336	43708	75024	73127	72367	66980	66610	70841	65059	65258	60357	60629	64732	62377	28778	29486	67011	62373	36803	36359	17115	15920	18121	17344	39456	37671	27886	27635	63004	62425	67532	64695	17350	16992	25678	24753	46780	46405	46075	46355	31220	32701	26213	25082	1	1	1	1	75049	69860	77192	72873	26924	25978	29992	29089	72562	76037	76483	73153	52755	50119	62390	58815	27051	25744	20825	19889	30449	1	72891	72966	57513	61847	44585	44846	74441	77531	53794	51927	16821	14145	33480	36644	40340	36749
803.1358@0.7724665	8986	10171	1	1	1	1	13278	16974	1	1	1	1	1	1	1	1	34204	32420	20852	22236	1	1	1	13789	13825	14037	1	1	1	1	1	1	1	14220	1	1	41746	43063	1	1	1	1	1	1	1	1	15047	19209	1	1	1	16122	33782	32571	8265	10271	16303	16404	8052	1	57675	57600	71416	74895	1	1	23168	1	29105	28495	51770	54456	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10835	1	30410	30759	1	1	1	1	1	1	1	1	1	1	1	1	12297	1	41305	38608	90763	92545	51006	52757	1	1	1	1	1	32240	1	10861	1	1	17270	1	24686	24533	34050	33110	26248	1	50634	51141	22305	21497	1	1	33208	36080	11909	1	23156	23839	1	1	1	1
626.1254@0.77075	1	1	1	1	1	1	1	1	1	5559	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5528	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7363	6898	9795	10971	1	1	1	5102	6331	5688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8561	10558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10158	10383	1	1	5740	6347	1	4971	1	1	1	1	1	1	1	1	1	1	1	1	11724	10834	7857	9390	1	1	5190	1	1	1	1	1	1	1	1	1	11478	10961	1	3850	1	1
836.1233@0.7733509	1	1	1	1	1	1	1	4715	1	4033	1	1	1	1	1	1	7283	8139	1	5810	1	1	1	1	6174	1	1	1	1	1	1	1	1	1	1	1	10208	9582	1	1	1	1	1	1	1	1	1	4975	1	1	6184	5880	6265	7464	7551	6882	5657	6872	1	1	9989	9230	10791	10057	1	5928	6689	6959	7027	6070	8608	9016	1	1	1	1	1	1	6726	6824	1	1	1	1	1	1	4765	5776	7787	8344	1	1	1	1	1	1	1	1	1	1	1	1	3423	1	1	1	10314	10474	10510	9457	1	1	1	1	8678	8268	5861	5783	1	1	1	6876	5968	7384	1	5388	5242	1	9530	10860	5736	5741	1	1	10004	8966	5835	1	5950	4733	1	1	1	1
C13 H21 N4 O2 S4	1	1	1	1	1	1	1	1	1	15192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6165	5766	10008	14360	31339	29797	1	1	1	1	1	1	9592	1	1	1	4582	1	9302	1	1	1	6518	1	10498	7163	5472	1	1	1	21892	20624	38917	37057	1	1	9073	10116	12610	12781	1	1	6799	1	1	1	1	1	1	1	1	1	1	1	34815	32465	1	1	1	1	1	1	1	1	6074	6452	1	7555	1	1	1	1	1	1	1	1	1	1	56639	58529	127051	122554	1	18831	10478	10687	1	1	1	1	6764	7801	1	1	1	1	1	1	41881	40762	42711	42377	23651	1	8605	9741	1	1	1	1	1	6781	1	6394	45602	45491	1	1	1	1
831.1671@0.7726322	17645	16352	27180	26857	1	10255	26382	25481	1	1	1	12164	1	1	14982	14767	51582	53670	36744	38212	1	1	25400	26772	28024	27527	1	1	9386	1	1	1	27803	27077	1	1	64982	60296	14595	15050	1	1	1	1	1	1	30713	29892	14257	14536	31166	29292	52520	51168	15410	16915	24801	23767	17972	18259	75201	76049	86198	86090	26819	28145	40158	39771	45710	44591	67442	67549	1	1	1	1	1	1	17335	18503	1	1	1	1	1	1	23670	25656	49648	53309	1	1	1	1	1	1	1	1	1	1	1	1	21287	20518	47160	43757	93070	92990	68386	69971	1	1	1	1	51471	53833	28463	29677	10895	1	31284	34202	30649	31232	28471	28445	28934	1	65391	66454	35543	37522	1	1	52328	53116	19693	19372	26076	27434	1	1	1	1
530.9702@0.773075	6106	5583	1	1	2849	1	1	5012	1	1	1	1	1	1	3749	1	6100	6611	1	1	1	1	1	4771	1	1	1	1	1	1	1	1	7322	7083	1	4136	6952	6659	1	1	1	1	1	1	1	1	5385	1	1	1	1	1	1	5192	1	1	1	1	11466	11090	8353	8301	8083	8086	1	1	5216	1	6309	1	8147	8301	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5715	7614	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8277	9406	6711	7314	1	1	1	1	1	1	1	4529	1	1	1	4843	1	1	1	1	1	1	6697	7387	4684	4801	1	1	7513	5093	3911	1	1	1	1	1	1	1
859.1985@0.77316374	19260	17529	32545	32015	13094	13991	26373	27387	1	13445	19687	20538	1	1	20320	21397	50442	49977	41591	43583	1	1	31783	29646	33566	31907	8246	1	1	1	1	1	31870	30408	16646	17983	57556	57258	23463	24465	14115	13862	1	6932	1	1	33666	34487	17673	20755	37384	33470	49230	48896	27462	25826	25365	28682	25931	25013	63737	64208	62558	63924	37579	36406	43296	41251	46947	46515	53570	52537	1	1	1	10702	1	7296	23859	23905	1	1	15013	15723	1	1	32289	37271	51470	51076	1	1	1	1	1	1	10605	12010	1	1	1	1	13563	14686	1	1	56668	57702	55909	56556	13557	13015	1	1	49351	52202	39043	39126	18668	18792	37364	37560	25699	26726	17134	18765	21169	1	54414	53304	36530	37019	1	1	52193	52003	25925	25469	20391	20936	13929	14676	1	1
p-cresol	124585	134424	174682	175788	128569	126648	158053	167790	1	55771	120229	127664	54986	51908	132927	139451	247203	249625	208054	201411	1	83869	172712	170685	175506	175640	1	51206	33207	30691	60406	70762	206775	209097	139643	144313	274805	277026	134373	138609	105611	101570	45375	45683	65115	52464	203248	208028	144248	137014	193782	194141	267170	266393	111660	110568	104050	103376	181541	187664	316839	320228	345590	350926	215275	216950	290752	284471	235619	239163	312030	306912	68035	68690	126579	118935	1	76849	78250	78384	34986	32703	84551	82430	53746	55669	178703	172097	250468	264676	40628	40935	59697	56832	100397	100555	92287	89146	70838	70813	47233	48395	54482	51456	1	1	413975	413970	326674	318475	79018	79383	1	91948	271580	279943	206296	213903	137154	141046	207141	215631	150799	147887	185335	185263	203975	1	311114	318247	226143	219977	68184	71462	272910	286455	157176	156020	105108	99805	80043	77350	61265	57103
4-Sulfobenzyl alcohol	1326394	1361640	2033861	2028645	1355366	1354758	1769216	1790041	28692	568879	1258742	1326522	552314	562301	1420573	1468725	2861493	2970920	2460538	2493258	904554	925046	1967107	1910616	2024811	1959060	463472	505892	26577	335875	667540	678974	2288716	2483871	1596322	1609064	3085402	3160962	1334947	1344635	1062102	1075457	477838	497466	651534	630558	2374796	2295531	1644063	1581430	2251767	2151346	3118526	3110662	1091707	1180659	1139599	1156735	2173505	2161854	3661241	3630060	4130401	4102554	2348802	2452270	3507044	3452920	2695238	2782628	3709713	3632662	752072	756383	1383596	1369782	752277	811094	858831	855926	376169	375742	934852	920536	604900	595536	1962145	1993680	3001232	3055385	433638	428477	630458	644883	1034789	1099197	955643	971753	772923	763260	527174	515738	642740	640385	64931	67356	5437437	5435433	4026418	4039205	870437	857614	944392	940825	3445505	3452787	2325971	2368900	1479565	1556524	2346371	2428011	1545138	1803897	2301709	2294913	2625990	1	3862157	3878012	2680142	2741371	729762	732938	3371696	3382904	1830120	1882927	1211863	1225266	845020	853787	645804	641996
C35 H9 N5 O2 S4	6870	5780	9036	9941	4644	4462	9884	1	1	1	9257	8793	1	1	10059	9390	13487	14015	10302	12111	4295	1	10163	9714	9301	9768	1	1	1	1	1	1	8829	9338	4612	4911	14132	14833	8872	9627	4936	5261	1	1	1	1	7501	8862	4390	1	9683	9879	11270	11897	3557	1	1	1	5683	1	14480	16038	15369	13872	9276	10238	8533	9798	10880	11650	12113	12129	1	1	5184	6266	1	1	1	1	1	1	3785	1	1	1	10075	10499	11566	11381	1	1	1	1	1	4303	5169	1	2706	1	1	1	1	1	1	1	12051	13845	13047	11075	1	1	1	1	9775	10832	9714	10655	4924	5816	8053	9770	1	1	1	1	1	1	11279	11377	9736	9032	1	1	11564	10696	6021	7163	1	1	1	1	1	1
C16 H25 N4 O7 S2	1	1	10093	10255	1	5986	8959	10365	1	1	9014	10602	1	1	11150	12858	21908	21987	18945	20343	7321	7028	16440	14058	17150	16379	1	1	1	1	1	1	21876	22670	13603	13893	27495	29587	15179	16807	9852	8781	1	1	1	1	17100	18875	10005	10430	21787	21435	28176	29122	7455	8207	1	1	24659	27539	37795	38393	40509	38841	25865	25188	33544	32986	27259	30884	32341	33023	5626	1	15925	13879	7091	7563	1	1	1	1	1	6835	1	1	21294	23388	27016	30249	1	1	4916	5213	8262	9217	1	8111	1	1	1	1	7272	1	1	1	34035	33883	30669	27095	7649	1	1	6711	26097	23421	20311	19640	16622	13739	19693	18143	7304	6972	1	7178	13551	1	24538	26236	18762	19446	1	1	25763	24199	11228	11195	1	1	1	1	1	1
887.2298@0.77457476	18111	14322	33251	31785	14203	14977	25369	27171	1	1	34492	34661	1	1	30306	30216	44394	45136	38602	38468	16403	16999	30972	32958	31464	29884	1	1	1	1	1	12626	28462	27851	22134	23700	45773	44241	35817	39663	22978	21787	1	1	1	1	28390	27065	20258	19509	37506	36395	38659	39805	10483	11093	1	1	27884	29534	46988	1	1	34202	40827	43149	39217	37504	37525	35556	36027	36188	1	9076	36576	34891	14806	1	1	1	1	1	1	14640	1	1	47264	44097	42648	42328	1	1	1	1	21064	20575	19909	21772	1	10459	1	1	1	1	1	1	1	1	36414	38088	11520	12072	9015	1	38701	41660	50179	50951	29963	29275	34356	32870	1	6520	1	1	8880	1	36529	32356	27300	27651	12082	1	40515	41080	24316	24022	1	1	1	11628	1	1
C29 H3 N5 S3	18965	17189	28067	27847	19377	16855	27186	26812	1	6986	22209	22754	8740	7218	21568	23497	37059	40673	33831	32689	14287	12020	26947	26456	26483	24796	5575	6524	1	1	9838	9981	25134	26802	17125	17258	40962	37881	21829	23333	15595	15219	1	5302	1	1	26760	24649	16688	17774	27353	26968	31549	32030	14161	14010	11953	10487	18132	17400	41032	42377	44067	43808	25340	24842	28068	27188	31609	34333	38178	37257	7761	6696	15428	16757	10469	10963	7906	7166	1	1	10662	8979	5923	6178	24796	24930	32606	34773	1	1	6338	6188	12739	12680	11805	13543	7834	9674	5059	4469	3871	1	1	1	41316	44791	37916	36325	9112	8468	8418	8365	32618	33434	26616	27224	18724	17106	25068	27253	15064	13759	14438	15487	18741	1	37617	37447	26969	26106	9029	9144	32172	34077	19211	20602	8978	9048	9853	10187	7994	8156
180.8897@0.7756415	65842	59554	88451	81753	78044	80057	76690	22171	1	17044	56472	56542	47203	54980	60633	59494	70235	76959	65593	68413	53025	49652	61566	66563	61508	62955	1	1	50530	52300	1	1	60624	62543	52556	51121	67161	63212	48789	54450	44827	42836	34443	36640	37515	36235	64992	61053	61367	68613	63247	61699	68417	66481	52156	52939	55791	52339	59789	58432	68996	52632	69146	70596	51157	51286	57555	59673	39538	62872	75169	70488	46849	46822	40210	38509	43431	46024	49688	50204	1	1	36428	1	39951	30784	50328	53637	66058	63112	1	1	1	1	42671	41175	1	1	1	1	1	1	52317	53509	65025	1	66732	69387	69940	64231	1	49249	44102	43486	1	52101	50739	53078	48685	53373	54499	1	65834	64976	78895	78263	78663	16043	65768	67622	64443	64591	1	1	59382	66929	53753	54794	56380	61001	1	47298	1	1
C22 H N O2 S2	28577	28700	45685	43828	33030	34308	39925	43328	1	21107	38953	41076	23041	24247	41114	40254	55149	60621	52698	55221	34828	34482	47378	49184	45952	41986	20934	19613	12258	14229	25982	26005	42663	35791	39166	37696	52141	55164	40197	40597	32332	33046	19540	18228	21251	22755	41440	41452	36277	32478	46851	44746	47483	47901	29082	30569	25757	22638	37342	37536	55287	52146	57703	50751	43432	39562	48279	47583	48712	52177	54116	52055	24448	24070	38753	37722	28984	28463	24933	21506	15196	15593	30838	29656	20250	22687	45076	46240	50041	55823	17715	16777	23147	23454	33899	31685	31776	30371	25230	29377	19217	18809	17611	17332	6243	6999	59546	58796	51155	54682	24380	23503	26798	26410	50491	50819	43978	46701	36262	35809	42528	41857	1	31512	30693	31037	35938	6825	52060	1	36424	37946	25896	25161	51986	49558	39564	1	25277	25576	26066	26385	26700	24031
421.0849@0.7741134	68167	63632	110458	106305	67154	65673	95910	99768	1	28198	86815	90524	30263	32697	90498	97815	151682	166660	132940	132460	55257	58883	111823	108646	118108	115181	24089	22692	18067	16949	42803	44302	115327	122940	86037	83230	177614	173667	102012	101147	72961	70693	27145	27952	36944	35702	117553	118634	81012	77157	123809	124469	152502	153223	59156	59570	51601	51875	96110	93558	197557	197591	202029	185800	136005	138639	157686	155930	149911	150310	175216	166652	39531	40589	92388	89797	53650	49487	43143	41034	18110	18079	55990	53827	32534	33926	135759	133693	167491	161940	19289	20743	34135	35642	70365	70729	64278	63904	46283	44675	26437	26702	27738	28089	28659	28660	200030	200073	183436	182923	46146	44555	47940	50186	170314	167614	144652	144564	91210	92453	124153	129565	61535	62721	66132	65419	80743	1	178193	171277	128534	134337	44797	46001	167929	171396	94681	94794	43438	41813	49045	50893	42128	44344
1297.3132@0.7737693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4879	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2872	1	1	1	1	1	1	1	1	5336	5566	5445	1	1	1	1	1	2791	4455	3555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3440	3295	4435	4625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4426	1	1	1	1	1	1	1	1	1
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399.9417@0.8038499	7781	7083	7628	6650	6655	6987	7082	6253	9032	8793	12657	1	1	1	1	1	1	10968	12504	1	8081	7644	1	12164	12839	14491	1	10808	1	1	1	1	11428	12854	12629	11913	1	10367	8761	8125	6546	1	1	6308	8189	1	1	1	8417	9899	12729	12897	1	13978	1	12426	11628	1	1	1	9957	8777	1	1	8117	8251	1	9180	1	1	14180	1	1	1	1	1	1	1	10030	1	5821	1	10725	9854	1	13955	9171	10944	9880	8389	11058	10167	1	11900	8557	1	10312	11419	9173	10689	9972	1	1	1	1	1	12525	1	11214	11715	14373	1	1	1	10322	11641	8141	1	15074	16219	11073	12240	1	12416	1	1	1	15407	12414	11984	1	13820	8880	1	1	12224	1	1	1	1	11357	11806	1	1
201.866@0.81240004	1	1	29561	1	18783	1	1	20587	27007	20499	1	11403	1	1	1	1	13796	7620	1	17939	7061	9251	1	16469	1	1	10225	9154	1	1	13447	1	10235	13947	7016	9058	16725	1	8694	11602	1	7269	1	15232	8942	1	9493	12622	1	1	1	1	1	1	8232	1	6580	1	1	1	1	6826	8263	1	1	8022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10003	1	1	1	7992	1	1	1	10250	7275	9084	6726	6936	1	1	1	1	1	1	1	1	1	1	1	5733	1	9907	1	7222	1	1	1	1	1	1	1	1	9061	5709
C17 H29 Cl N5	7727	1	9268	7576	5408	7473	1	3991	6199	1	5074	4443	4258	1	1	1	1	1	3646	4603	1	1	11278	10201	1	5808	1	1	1	1973	1	6618	1	1	1	1	1	4270	1	1	1	1	1	5034	1	1	1	5704	4960	1	9577	8723	1	1	1	1	11774	9019	7535	4201	17547	13192	8333	8065	12796	11315	4684	1	1	1	1	1	2634	1	14479	13769	1	1	542051	537320	1	3781	1	1	1	1	9835	1	12851	12253	10544	10238	1	1	7840	6116	13179	9293	26968	25455	1	1	6097	9425	6077	1	1	1	1	5636	33568	39190	1	4770	3994	4277	1	1	5697	1	1	8016	1	1	1	6583	1	1	1	1	1	1	3881	1	1	1	1	1	13732	12733	13780	13421	1	1
294.1849@0.8234193	1	24464	76917	70994	25109	27267	1	1	1	23340	30712	28543	132319	136935	37440	36466	1	42963	48058	48233	36929	26684	98000	91596	24154	1	10197	20133	1	20633	37849	37902	1	28347	31537	27925	21308	26144	33311	36414	43947	36018	46203	49470	31730	31052	41994	51407	28324	27869	71383	67495	46097	42994	37284	49230	92226	89189	29522	39121	68888	73209	57762	53221	98752	98449	40257	49038	44781	50128	21979	24699	28459	1	46330	43527	36712	38373	1467686	1487680	31605	25817	36487	32452	47627	42958	54814	57381	82569	74061	49713	47777	22660	26208	45637	40623	65736	71968	131325	132479	36101	29824	41685	43984	64485	78965	1	19907	45503	41098	108771	110287	28448	29371	54969	54225	21582	26780	36725	30657	30385	33633	24487	27250	30014	41017	27309	39489	24414	1	1	18445	34805	38038	1	19526	23896	21586	47326	43111	61934	57883	36164	28718
310.1804@0.82841253	1	1	18971	20699	10123	1	1	1	1	1	1	13457	1	1	1	1	1	1	15140	17433	1	1	14885	19613	1	1	1	1	1	1	1	1	1	1	11379	1	1	1	8853	1	1	1	1	11019	9661	7862	13532	1	1	1	1	18879	1	1	8027	1	34454	34889	11028	1	24061	21889	24506	28890	25926	25694	15582	9084	8504	9007	1	1	1	1	16168	14070	8684	1	1225331	1198307	1	1	1	10469	15004	21711	26497	21439	32083	32460	22648	22129	1	1	10035	1	14976	1	40130	42228	1	1	18388	21840	1	13601	1	1	1	14871	79163	78953	1	1	15454	1	1	1	18735	17370	1	12643	1	1	12985	1	1	1	1	1	1	1	1	11063	1	1	1	1	27527	29639	31457	32301	1	1
266.1547@0.831917	28414	27918	171683	176607	46528	48679	29575	30272	21516	23785	53081	48576	367873	368677	70674	73245	64296	62946	147900	142503	55311	55465	167924	172856	35605	33640	37924	43609	41330	37772	57620	57370	39712	35507	48386	48464	47777	45022	57932	55651	71332	74035	62135	65631	51801	54130	65135	68890	41121	44436	159659	156171	113190	109189	77147	79702	317414	311713	53708	52096	119801	117425	116975	111145	205011	199247	78872	77245	98126	98894	36276	39565	42596	43348	61802	66389	70670	71813	3137002	3133370	41426	37334	57365	58263	74194	74034	89789	84773	135633	138461	82227	83448	31792	34419	53678	58679	116559	115523	185442	192866	34835	34434	70721	76666	122828	120758	86654	83171	71703	66192	191104	193906	33905	34109	121504	116561	34540	29302	64405	69332	48317	46715	39744	37214	51520	54861	33071	36618	38827	38406	38501	36324	87959	81423	23606	23613	23044	24328	89767	84008	73832	71690	57013	51775
453.0872@0.8325001	1	1	16647	16449	1	1	1	1	1	1	6310	1	33489	33548	1	6645	1	1	13637	12470	1	1	16708	17640	1	1	3576	3989	1	3176	5649	5188	1	1	1	1	1	1	4304	1	6701	1	1	1	1	1	5658	5919	1	1	12312	12454	8593	8083	5578	7381	25051	25685	1	5406	9893	9883	9083	8639	17888	17704	7175	5754	6892	6873	1	1	1	1	5198	1	1	1	92922	88687	1	1	1	1	5270	1	6648	6909	11323	9938	5642	1	1	1	4607	4200	11353	11049	14012	14910	1	1	4685	1	12398	9824	1	6235	6201	5747	14896	12750	1	1	8282	9189	1	1	5538	5990	4782	1	1	1	3757	1	1	1	1	1	1	1	7132	7021	1	1	1	1	6851	6501	4578	4727	1	6265
466.3101@0.83256954	185525	189492	109655	111038	118125	121239	123035	124014	219231	220070	220625	220406	164398	165053	199262	198706	194251	191489	246959	249003	136168	137776	144707	140919	235454	240209	192134	186563	155556	154686	193990	196201	254207	255767	157506	160950	138114	137595	117593	116106	150774	153466	139138	141728	231536	228644	151056	151163	125773	122930	151709	144762	165825	174709	133866	132245	132829	133770	142810	145931	130961	128705	112137	149884	194010	195253	170298	171016	146364	145078	160182	159881	262109	255579	107667	108274	215922	215836	122061	120986	82205	82056	104911	104022	129848	133945	210332	216089	189487	197385	143238	143324	145421	148270	161272	160846	126852	125037	126435	131145	217558	215830	166694	163306	103109	108658	205947	217955	154642	157757	351346	352161	331515	316974	142316	142512	130888	133181	174823	178819	136904	143351	95055	98205	210222	211456	246439	236292	165698	166152	161338	167202	129030	130420	248678	251437	181490	177186	144264	139323	243832	248058	283535	276581
653.2435@0.8329219	13855	15631	8014	7519	8082	8850	7272	7764	13721	14544	17750	18096	12466	12232	15112	15728	16473	15348	18069	18900	11615	10242	9051	9005	19182	18036	15413	13769	12058	9211	14205	15214	18720	20418	11661	12120	9629	10720	7598	9186	11922	11230	9798	9101	17159	17574	11048	11618	6983	8201	9600	9344	10514	11032	9775	8951	7252	7380	9781	9159	7367	7371	8276	9344	11010	12901	12041	11418	9358	9732	9952	10013	16794	17387	6456	7159	14411	14349	1	1	6277	5524	6326	1	7874	8036	14784	14538	12610	12134	7547	7599	9357	10014	11804	12054	7665	7699	7001	7355	14328	14384	10220	9804	6285	6497	12429	13727	8877	10061	20308	21367	21850	21415	8444	9850	9682	8341	12452	11704	8729	9231	5471	5836	12136	12530	13699	12062	11191	9759	10231	8899	8831	8539	16837	15481	8532	9192	8436	8756	15265	15421	18773	18928
110.037@0.8334001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5316	1	1	1	1	1	6455	11150	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6942	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12924	18483	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11214	1	1	9217	1	1	1	1	1	1	1	4772	1	8018	1	1	1	1	1	1	1	8959	1	1	1	14849	27552	1	31165	31590	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
MID42238:(6R)-1?,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct / (6R)-1?,25-dihydroxycholecalcif	23737	25986	43043	42708	45739	43047	32784	34996	35961	35136	30958	34863	30594	27070	28373	25391	24812	22223	21341	21015	17896	20248	43202	37844	39889	40927	58194	57119	57063	57059	19783	17352	21032	28115	19089	18676	28694	26827	26452	27803	37535	33828	37068	39260	19676	17745	41822	47299	44939	44663	47068	44190	43865	40759	29057	35426	33120	30484	47003	38316	31725	31591	33173	41520	49107	47545	45236	41807	47405	38946	41892	38231	87276	72065	11776	14203	42226	40017	21557	20333	41467	35781	39902	50976	17674	17344	28117	33688	31416	36537	40632	41162	38860	42100	22642	22769	26717	25978	24393	31260	44825	42104	43969	45429	14262	11613	50601	59109	47176	55317	39743	47317	54401	52549	29497	24967	27413	23784	39580	44418	23588	23312	17645	16842	74213	68574	66663	61891	34644	34402	27780	28628	17179	20166	44699	52615	35528	38073	38681	41901	35778	36340	17794	15459
MID42262:(24R)-25-fluoro-1?,24-dihydroxy-24-methylvitamin D3 / (24R)-25-fluoro-1?,24-dihydroxy-24-me	8880	9104	1	1	1	1	1	1	8422	7801	41321	40949	9731	8911	10505	10846	20448	20444	27305	27132	1	1	5242	5406	8283	1	19717	20199	10358	9563	14537	14414	21390	20251	13522	11052	5950	5197	1	1	1	1	4664	1	14384	16672	11771	12311	9798	9863	1	1	4891	1	20962	23572	20034	20878	18175	17031	10280	11553	14781	12165	16069	18766	17246	16459	7112	1	6854	5822	11400	11482	8535	8257	8911	8789	1	1	19544	20290	21767	22036	9317	8259	1	3506	1	1	5744	1	1	3823	7525	7267	8269	8947	8056	10133	6656	5819	6935	1	1	4056	5514	5989	1	5806	13238	14595	8611	1	10568	10638	9068	10406	6255	6125	18357	18585	10295	12196	19446	20199	26750	23565	1	1	1	1	6568	6160	1	1	1	1	4801	5105	7098	8550	11106	10958
229.0041@0.84916663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5003	13229	12853	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3156	1	1	1	1	1	1	1	1	1	1	1	1	1	11795	1	1	1	1	1
506.3407@0.847352	1	1	1	1	1	1	7026	6527	9963	10186	19177	19751	8134	8207	11295	10774	6946	7678	8010	8697	1	1	1	1	1	1	7770	7095	5851	5646	9280	6808	7684	8645	1	1	1	1	1	1	1	4283	4518	7410	7790	7535	5079	5071	4231	4139	1	2712	1	1	7060	7151	1	5975	6152	6132	1	4335	5840	5812	10831	11266	8656	8084	5482	4636	1	1	10476	10540	1	1	8737	8873	5104	4918	4218	3929	1	1	4474	1	1	4447	6079	8299	1	4241	1	3747	1	5578	7587	7483	7186	6433	6050	4008	1	3339	1	1	1	1	1	2919	1	6970	6529	1	1	1	1	1	7869	6095	1	5183	7929	7708	9766	9926	10686	9256	1	1	1	1	1	1	5578	6706	1	1	8366	10891	10079	9470	8487	8171
354.2063@0.85298157	1	1	11869	13310	8320	1	5567	4837	1	1	8677	6715	1	1	1	4949	1	1	11331	1	3485	1	1	9607	1	1	1	1	1	1	1	1	1	1	1	7202	1	1	1	4387	1	1	1	1	1	1	1	1	1	1	9268	1	1	1	1	1	19980	19549	1	1	19038	18268	20585	20728	19347	19412	1	9015	1	6636	1	1	1	1	1	8134	1	6658	1181377	1177829	1	1	1	1	14267	13091	13075	13822	20908	22812	14692	14528	1	1	1	8796	1	5341	32882	33622	1	1	10808	11593	1	7637	1	1	1	9439	56052	56660	1	1	1	1	1	1	1	7106	1	5418	1	1	12078	13023	1	1	1	1	1	1	1	1	1	1	1	1	24713	25481	20149	19241	1	1
496.2844@0.8698529	5909	5304	21072	21374	22772	21805	11296	11571	10300	10731	8960	7313	1	6069	5923	7146	1	5869	6557	6562	1	1	7322	8380	7570	7006	11070	11453	9657	10369	1	1	3904	1	1	1	6007	1	1	6294	1	6628	7884	8077	1	1	8027	9296	8467	8545	13088	14478	11376	11579	1	1	5394	1	1	4897	9265	8871	9758	10447	8875	1	7233	7995	9300	10534	10768	10405	25195	24353	1	1	1	1	1	1	11255	9743	9951	10755	2958	1	1	6552	6590	1	7652	7621	6382	5949	1	6179	1	1	5813	6011	1	1	5836	5654	1	1	8322	9665	7219	8521	6797	6971	7512	7268	5542	4926	1	5226	6935	6275	1	1	1	1	12309	10804	11677	11862	1	1	1	1	1	1	8652	8810	8233	8284	7095	5686	1	7871	1	1
pregnenolone sulfate	35337	30974	18427	18177	19248	18173	23386	22185	23060	23352	14734	16442	12210	1	7704	1	1	1	1	1	49943	48294	1	7210	1	1	1	5072	7238	7385	52211	52392	13890	17241	14407	14316	7072	1	10876	10492	1	9068	8513	7993	28860	29047	7626	1	1	5885	11307	10960	7453	8039	11309	11756	8832	9233	58660	56725	12271	11696	12709	11332	22103	22269	14717	15211	13013	11649	10444	9191	40776	41859	46961	51729	12291	12008	15724	16750	7503	7365	12031	12146	41463	42034	18039	17352	13044	14379	16684	17405	16097	17170	32169	31889	9318	1	1	9890	15627	15407	15611	14672	29553	30393	18354	16360	11958	14244	31367	31361	25895	26864	23056	24327	17138	17624	42158	39383	13865	16346	15904	15337	37921	39687	29013	26203	1	1	5822	6378	14616	15946	14717	13930	10136	10078	15315	14888	16422	18580	41583	41378
C11 H15 N2 O2 S	231792	222780	61240	54568	55040	50287	188826	187443	283443	279542	74858	73091	39022	38993	40489	38521	7303	7758	1	6682	157416	42679	26832	24751	30599	29133	24697	24746	28354	31947	177139	159285	65874	74596	63543	62301	22603	23741	25259	24013	29522	31899	36576	35585	52904	56307	30958	25505	40962	35348	89509	92676	93741	95236	30297	31815	36443	36167	194126	188920	22061	22528	39466	37383	88680	76242	64248	65191	44804	46641	22214	17897	73514	71937	124198	128996	96453	100983	71819	64568	42309	40019	34289	32862	97577	74499	82516	87927	70227	71264	53687	53543	48033	44902	174929	171077	33468	28312	27369	27804	94980	96762	78746	80744	163154	148803	76641	69198	69936	70718	153866	159243	149813	149907	40404	41218	39328	35994	194582	191366	61969	69455	58344	62931	125959	125616	128237	122159	21232	19245	26064	19372	15368	29620	64958	64676	43874	42206	168529	162627	185151	189897	228797	227294
492.2889@0.8798181	7457	7864	1	1	1	5223	1	1	1	4289	1	1	8057	8467	8317	7042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5573	11204	11431	11964	11142	1	1	1	1	6155	5900	7113	7211	12669	12819	1	4352	3946	1	8856	8195	6449	6750	8070	6426	6324	5757	8277	9147	3869	4522	1	1	10017	11434	10716	10392	1	3765	1	1	1	4416	1	1	7618	1	1	5615	1	1	1	1	1	1	6593	6197	6336	7097	1	1	1	3227	8381	7584	6182	6493	6845	6034	1	1	3094	3097	1	1	10062	8946	9583	9191	13792	13245	13701	13738	1	1	1	1	6734	1	4488	1	1	3922	9838	10348	10280	10358	1	1	1	1	1	1	6623	6094	4908	1	7045	6829	1	6644	5992	5439
388.1907@0.883	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10098	9652	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8774	8597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.0041@0.8874546	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7584	4627	1	9012	1	19206	1	1	1	1	1	1	1	1	1	5087	6482	6253	1	1	1	1	1	32402	31851	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5667	1	1	1	15706	17369	1	1	1	1	19750	18445	1	1	1	1	9514	1	1	1	35251	36041	1	1	1	1	1	1	1	1	1	1	1	1	15439	1	51617	51115	5893	1	14365	15971	1	1	1	1	1	1	1	1	6389	1	1	1	7541	8523	45294	44746	1	11407	1	1	16214	13136	1	1	29139	29496	1	1	1	1
480.2891@0.8989285	1	1	1	1	1	6144	1	4334	1	1	1	1	1	1	1	1	1	1	1	1	1	4627	1	1	1	1	1	7007	1	5879	1	1	10109	9845	7285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4569	1	1	1	1	9083	9456	8684	12484	10839	14578	10931	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4811	1	5152	6550	1	4006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8045	7538	1	1	7307	9491	1	1	1	1	1	1	1	1	1	1	5923	6494	7138	6990	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
cyclo-Dopa-glucuronylglucoside	16256	15750	6373	6894	5832	4803	7240	8042	5927	6154	13317	12832	8315	8822	9588	8497	1	1	1	1	18711	17790	5423	1	6286	6565	4855	4387	5718	1	20833	19538	12203	14004	9950	11086	8180	8677	8147	7749	5898	5180	4646	5118	12959	12239	1	3654	1	1	8565	8827	9568	9671	5213	5920	4809	1	17825	19348	8274	8163	8311	7542	12378	11528	9069	9198	11550	10568	7626	7633	7502	7407	18344	18364	16316	15320	8918	9096	5068	5021	5224	5060	18560	20033	7725	8487	6777	7999	10973	10080	10800	10770	19532	20320	8525	7004	7153	1	15005	13281	13434	13577	19365	17205	5142	5023	1	3759	13569	14205	17173	16021	3443	1	1	1	19452	20312	8959	9962	7210	7760	11384	11770	10874	12024	1	1	4535	5000	7072	9275	24499	23796	15364	14959	11537	12250	11500	12677	17302	16076
390.0975@0.89241654	1	1	1	1	1	1	1	6430	1	1	1	1	6459	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5459	1	1	1	1	1	1	8323	8188	7856	1	1	1	1	1	3857	1	1	1	1	1	1	1	1	1	1	7692	1	1	16554	14351	10966	9865	1	1	1	1	1	1	1	4874	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6705	1	1	1	1	1	1	1	1	6686	1	1	1	6104	1	5474	1	1	1	1	1	1	7525	8292	1	1	1	1	1	5884	1	1	1	1	1	1	1	1	1	1	1	1	11370	11952	1	8229	1	6696
C29 H23 N4 O2 S3	65130	77127	29554	29465	24997	27654	34204	33090	25240	23347	60705	61560	40488	44115	39874	40626	20079	21538	18358	19197	84041	81931	25465	24242	32105	35580	22555	19295	20920	24154	81090	86666	55854	56482	52285	50437	36980	35020	34270	32771	22097	20438	19383	18785	60114	54533	13336	14499	17634	16136	37472	37440	41873	40022	25124	26563	22864	24375	80385	79913	36606	31270	38508	36791	52343	49276	38055	41235	51247	52079	36957	36715	32070	33465	87626	85275	66569	66543	41660	41552	23746	23703	24882	24098	88387	82629	32933	35265	32504	37062	48870	48885	47445	46701	90993	89868	33803	38640	30738	32029	68102	65726	61503	61722	76707	85714	24290	24215	18337	14642	67425	63216	73236	67353	14882	13720	13977	13632	87035	95785	42225	46979	31293	34030	56465	62384	51133	50916	13249	13635	20347	19835	34507	36314	92908	105559	66739	65036	53071	51775	55669	54770	72167	77920
Prasterone sulfate	1231657	1330438	332375	323019	294180	291832	428028	385216	300400	306037	793868	820684	537142	561861	461914	432907	195237	197869	192266	193586	1348437	1407883	261902	250784	356472	327472	227476	243854	264986	278113	2194905	2210866	846167	768752	693518	637452	439983	418531	478535	465974	233771	233525	216559	222544	920924	920747	185598	190083	180814	206450	661824	636954	609120	680084	322304	317528	296773	302554	1739261	1762124	520682	535441	553885	548739	836286	852724	628775	655243	810212	792723	469822	483349	416262	422098	1725955	1787245	1274991	1061616	952496	965527	313109	320306	317228	313409	1964435	2104020	500090	508267	476891	480199	819570	786540	733637	748144	2038402	1989352	470971	221867	437141	441739	878917	1115319	1021748	988318	1799316	1728779	289656	283360	190751	188294	1170531	1196920	1338316	1307838	174338	171969	139248	139772	2400229	2399243	617984	643659	432172	447166	905275	892536	827043	766378	157593	157342	252593	244930	467288	479701	2644064	2747951	1291795	1325945	883457	756884	963880	966991	1448223	1833512
582.2849@0.89559996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13520	15210	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9420	8342	1	1	1	1	1	2849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
154.0265@0.83886415	82436	85722	13609	13675	13887	1	72949	76470	27402	24234	6052	44422	34199	34063	41697	42138	29242	33355	94419	99254	39568	44959	115412	114234	83899	81238	128955	8085	204226	200806	115877	123576	39023	43842	75513	73006	15530	16401	14713	16085	40733	46152	47775	46440	78593	76212	83111	85274	63216	58260	9924	72614	39148	43773	1	9588	17708	14318	82731	93541	18567	17720	23455	1	81333	86268	222979	213973	117220	96626	145555	9484	43785	46943	44480	42855	44011	40625	31357	32855	68214	74124	110771	114851	78729	7780	17599	18905	25191	27396	46479	48475	44139	44583	70463	71154	71552	75940	122356	11765	102663	108300	1	40498	30276	29701	51368	48859	55652	7296	83639	80826	27405	18534	76681	59112	35934	32456	111920	109857	86397	77176	199338	207004	484609	481589	450842	11048	50465	51502	25278	1	19202	1	14453	1	25514	1	1	1	32525	1	64990	61880
C28 H22 N S3	71695	60741	20001	20027	16879	19268	22547	21969	15942	14805	37726	36833	26226	23438	22109	25033	9067	8728	10498	8300	45497	49240	10724	11405	13667	14606	10350	9166	11404	10791	63211	55732	30578	29141	24475	24701	16412	16537	16958	16669	8815	8877	8563	9484	30912	30929	8818	8068	7832	7264	23945	22388	24154	25073	12157	12748	12497	12656	45170	50687	16517	18844	19356	19557	27685	26865	22161	23884	26422	25759	15982	16900	14626	14734	35095	46269	37994	39450	25884	24500	10510	10869	11836	10565	55085	48836	16051	16729	16060	15550	23481	25217	23699	23450	50663	53013	15057	17052	13649	14892	30538	30016	28693	31484	47602	42276	10039	9258	5760	6471	34003	34498	36990	36978	5782	6605	4629	5459	51026	56334	18009	20659	16622	15271	27070	31681	25291	23926	5506	5348	7680	9279	16806	15570	67609	67628	35173	37357	22158	26974	27051	25654	42363	45289
C22 H21 N4 O7	23102	24176	14314	13460	15631	16394	14078	14998	11038	12385	31286	30930	24992	28160	1	22631	16657	15465	17269	17311	34961	35414	19104	18566	23718	25714	18739	16709	19556	17365	28464	29550	33865	35900	34168	32061	23453	21722	26468	26710	18151	18108	16433	19248	42681	42537	14929	15214	14430	15387	30333	27551	30542	30999	23318	21754	21597	22765	38406	36939	30876	28557	27715	27648	31217	32012	33934	33905	37662	37466	29357	26664	25578	25726	41898	40938	40790	42242	21947	21420	20667	22952	20667	20576	31941	39364	23582	23849	23258	24106	33628	29363	30472	31006	29955	33176	27010	26636	24633	26692	42694	41712	35143	38132	40720	40309	20048	19313	15401	16260	36015	37552	1	37954	12892	14509	12752	12516	31789	34283	28828	31901	28094	27251	40495	42009	38961	37667	12506	12150	16479	19042	27718	27912	47759	46748	41487	43971	36798	37864	36131	35658	37631	39111
371.1261@0.9149166	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6434	7953	1	6692	1	1	1	1	1	7719	1	1	1	1	1	1	1	1	1	6557	1	1	1	1	1	1	1	1	1	1	6375	5700	1	1	1	1	1	1	1	1	1	1	6299	1	1	1	1	5360	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5841	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6986	1	1	1	1	1	5342	1	1	1	1	1	1	1
494.3046@0.91825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6075	7136	1	6180	1	1	6994	5322	5796	5144	1	1	1	1	1	1	1	1	1	7016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7789	1	5816	5935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4357	1	1	5607	1	3952	1	1	1	1	1	1	1	1	1	1	1	1	1	6106	1	5386	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
426.2056@0.9099344	6642	1	6338	5770	1	1	15470	14443	10532	11604	1	1	1	1	1	1	9302	9015	1	8169	1	1	1	1	1	1	1	1	1	1	7389	8191	14698	15127	1	10038	1	6527	5816	6286	11908	13727	13342	13523	1	1	1	1	1	1	15463	14751	1	6383	5941	4302	9726	8882	1	1	9216	9900	10631	10241	1	6063	1	1	14297	11732	12401	11585	5978	20112	1	1	1	1	1	1	13155	13952	13017	13325	5146	1	3988	1	1	1	1	1	1	3985	1	1	1	1	1	1	1	1	5825	1	1	1	10476	10615	8658	7768	1	1	1	1	6946	6128	1	1	1	1	6009	1	1	1	1	1	4041	1	1	1	1	1	1	1	1	1	7553	6802	1	1	11127	10046	5399	1
213.9864@0.91385484	1	15514	18316	18720	1	10323	16285	1	17136	20010	19680	20732	1	1	1	18695	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6056	1	1	1	1	1	1	1	1	1	1	1	4040	1	1	1	1	1	1	27057	25852	1	18363	18351	1	19590	18474	19008	20234	19828	17988	30562	33757	33769	31836	28369	29075	41694	43905	57564	61929	62382	61482	45874	47412	49203	45659	37361	41830	41327	38961	20069	20264	22784	23141	1	1	1	1	1	1	1	11301	1	12713	1	12430	1	13478	12177	1	12181	1	1	1	1	13572	1	1	1	7576	1	1	1	9483	1	1	1	1	1	1	1	1	1	1	1	1	1	1
327.0371@0.8736223	1	1	1	1	1	7354	1	9162	6888	1	8349	1	1	8583	1	1	9178	1	11843	8695	1	1	10881	9917	13225	12034	12750	1	6708	1	1	1	8039	8501	1	1	6691	6954	1	1	1	1	8069	10746	1	7858	1	9783	1	12817	1	1	1	1	1	1	8980	4957	1	1	1	1	1	1	1	1	7634	11459	1	1	1	1	6139	1	1	1	1	1	1	1	1	1	1	7289	1	1	1	1	1	1	1	1	1	1	1	1	5375	1	1	1	5090	1	1	11876	6625	1	1	1	1	6221	1	1	1	1	1	1	1	10872	1	1	1	1	1	11526	1	8993	1	8031	13346	1	16235	9690	1	7035	4893	1	7211	9922	1	1	1	1	1	1
414.1699@0.9126735	1	1	21695	19275	23685	22749	5333	1	1	1	1	1	9053	7885	1	1	1	7471	1	1	1	1	6805	7779	8030	7586	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18725	19022	12718	12901	9740	9146	1	1	9170	9209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4734	1	1	12006	10893	12632	11881	1	1	1	1	46214	47718	10849	11755	6343	6121	12113	12229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4522	1	1	1	1	1	1	8692	8847	9411	8601	1	1	1	1	1	1	1	1	1	1	11834	10830	1	1	1	4903	1	6989	1	7712	16261	16778	1	1	42400	46466	30145	30675	1	1	1	1	1	1
C36 H27 N O3 S2	19222	19968	6703	6254	7087	7153	12608	13310	11942	11610	1	6701	4236	5231	1	1	1	1	1	1	23346	22512	1	1	3871	4697	2630	1	3374	3174	10111	1	9066	10555	11276	9146	4426	5798	6333	5665	1	1	1	1	6340	1	1	1	1	3822	1	1	1	4728	4899	5295	4126	1	12388	15887	1	5601	6411	5753	1	1	6531	1	1	5522	3919	4002	6500	1	16760	18464	5582	1	1	1	4039	4652	1	1	14492	13346	7796	8094	7282	7654	7454	9449	8186	7905	13589	11332	4182	4997	1	5959	10776	11280	10935	11278	16437	18714	7610	9211	7152	6182	16449	15324	13011	14817	7408	7928	6382	5914	1	1	6653	9294	7530	5750	14135	15592	12795	13329	1	1	4465	3485	5770	6401	1	1	1	1	10068	7993	9206	7346	17399	17351
Pregnanolone sulfate	262341	267813	72630	84541	98939	97568	153756	160655	144230	146040	61781	67943	66231	69295	51003	63369	17971	16724	18189	21111	288692	292135	74351	68107	64824	63774	41420	45793	50629	49569	173499	170381	120351	115977	112792	115651	62576	60671	64530	57040	47451	48601	39667	46956	104106	101592	49662	42049	37368	37225	72559	68274	57817	54779	72361	68702	67246	63613	261034	263845	79040	72941	93620	97032	117673	118752	106831	100431	87440	88194	52413	56495	94287	97145	297405	308270	125046	124621	1	1	61764	66133	65704	61232	194704	198182	115273	113103	98713	112139	122362	114618	108272	107189	185292	185190	1	50563	62233	54369	171415	159439	133920	137981	242756	235813	127862	131780	91073	92266	206483	201584	209035	219914	114933	119918	83735	86013	204133	198473	91560	98596	95463	93610	214040	219585	207574	202729	36891	43024	55177	62481	66205	66341	116654	111071	94538	86456	131754	129450	117410	119286	260650	261216
483.1886@0.9132213	11028	12687	1	1	8220	9652	8501	8186	10248	9822	1	1	1	1	1	1	1	1	1	1	16729	17903	10799	8819	7655	7888	4433	1	1	1	1	1	1	8678	10321	9952	5845	1	1	1	1	1	1	1	9169	8383	1	5684	1	1	1	1	1	4126	1	7472	7490	7346	15882	14269	1	7352	8507	8610	1	8844	9378	9370	7585	7704	1	5766	10235	9847	16770	17216	8182	8926	1	1	1	1	1	6316	1	10573	8271	9422	8274	7947	7330	1	1	1	1	5954	4958	1	1	1	13934	12975	10681	10903	14660	14379	14350	12383	13417	16243	15234	13700	14783	15202	13651	14838	11267	11797	1	6186	9550	9267	9911	1	21105	21644	19944	20509	1	4334	1	1	6186	6023	1	1	1	1	9263	8857	7419	1	12884	12583
169.9967@0.9136936	98869	102410	119774	113078	66572	1	94074	93574	106242	101079	124432	119081	108758	111919	105766	107825	50239	54563	57292	55534	70014	69435	42006	1	1	46472	60224	59084	50707	54055	57272	58563	64380	69446	48532	53811	1	54246	1	1	1	1	1	1	1	1	1	1	68776	72216	67807	69339	57383	56356	1	38453	1	1	1	38437	36733	34604	1	1	150488	150134	101740	116983	98337	103246	116880	108313	119686	121823	111987	110311	180397	194100	188588	183963	152138	151968	210891	216955	285563	290975	273014	291227	217529	227062	249766	248885	200336	205828	195027	190678	106764	106690	117727	120152	94293	90049	81358	86892	90933	92613	1	47824	63431	59322	59415	60019	70243	72910	69776	70789	65630	68036	74719	75185	72608	72748	56693	57741	36640	1	1	1	42149	42301	47621	50303	1	1	41561	43637	34917	1	34514	1	1	1	74777	65267
C3 H N O S3	50852	50755	55062	58690	129507	135382	38762	35363	41345	36862	60248	61704	130461	128413	74314	71083	80263	81786	126660	123199	43281	41916	151381	154824	121309	120760	100137	106411	67552	69283	52452	52126	65298	67557	73615	69176	29478	34141	57104	58474	106895	108677	115617	119301	126098	117539	132815	127122	80618	72980	111490	105220	86111	80965	63386	68708	102861	104223	98715	101006	97493	86092	78984	73982	38194	42550	92631	91156	91036	86642	49552	49696	69453	75432	46689	48583	112750	118087	112486	108527	65762	65887	76331	80736	30751	30007	29801	34162	28586	25316	37699	34672	32916	31620	18662	19405	25560	28428	37879	33871	36127	36995	24099	25770	48008	47980	43458	42359	64747	65213	42842	40118	42612	41063	45391	50443	37160	39071	36339	35303	40098	39556	51130	48935	54804	55874	67224	65855	32803	31631	51881	56165	26599	28435	42736	48920	68476	80184	33898	37497	42326	38189	31186	29037
983.998@0.9152326	11319	12212	19555	19376	26677	79069	44727	40892	35456	45238	47801	39746	50461	70642	51383	42117	38603	50755	49773	49626	23239	28872	49484	47336	59146	59840	47534	72291	46301	41959	29345	33995	43009	49842	48420	51812	28244	27890	47862	35983	43163	41051	45315	56591	47962	43945	51431	56493	46488	58179	52414	48131	40563	46209	38487	43801	43188	47789	38009	63161	68754	68352	64425	57801	38854	33669	57027	47295	42974	40210	31821	22979	40754	40467	50367	46382	54227	69463	59086	62792	61296	48841	59276	49754	34316	28228	33658	31444	28877	32214	1	33571	28711	31071	26010	1	23981	35515	33817	37304	31799	30100	26815	30440	28941	37834	38077	32113	45587	41424	39148	26190	32687	43512	39386	49351	38987	37989	43506	32880	38317	50570	48296	49003	60170	50467	63170	60534	42586	53446	60123	57263	41443	33054	40801	42943	51139	41145	41155	29092	32858	44958	26183	30886
249.9287@0.9143474	34862	39824	37963	42165	68945	71633	37963	41385	42991	42355	53903	56290	82231	85471	68563	72386	74197	88084	103315	103525	56330	49188	111446	111790	107973	97716	108449	106102	78203	83444	63937	64039	84738	84275	88022	94817	53743	63504	82178	76319	103468	104503	96693	108644	120673	113018	114777	116538	93913	88153	8791	114095	97662	95051	81568	89268	101739	96053	93541	76553	94406	87052	88307	84121	68628	59414	87888	85725	88480	86473	66310	70380	79265	88258	66988	65404	86582	94603	95052	73485	73933	82758	80499	81944	46241	45529	47174	45497	46738	51430	50585	52701	52783	60444	37718	44880	55690	13879	54313	56356	62634	59039	49994	49411	61806	66113	65864	75387	82802	83833	61543	62989	66835	67359	73923	70925	61727	63003	56295	56386	67012	67929	82585	81030	68174	74968	78605	80546	64421	61063	82191	79731	55606	54148	69025	68008	80750	84266	64780	63340	69859	67132	55997	52773
263.9444@0.9154197	14233	14280	15591	15548	22205	26071	16544	15836	17050	14927	23975	25467	32639	32756	27551	25898	28468	30809	37486	35584	23335	23411	36942	40207	36765	38848	35745	37691	31754	27968	28217	27651	34358	34347	29632	35180	24266	25319	30245	28587	38328	35678	38527	1	42489	37583	38436	39638	31691	34136	41678	37999	34647	35715	28885	32936	40125	38733	37957	36854	33946	34581	33772	31010	24589	22992	36539	33329	34513	37016	28268	26087	30400	30602	25790	23136	34958	35654	36955	34556	29359	27601	34743	30785	22381	20815	19782	18165	18460	17870	21015	22100	24741	26147	16386	18504	20917	19387	24610	23122	24711	21987	19765	21753	29881	31154	24908	25587	33088	32088	25889	26334	28077	27701	25873	30299	25191	25528	26112	27750	28674	27512	28600	29529	28429	30305	32032	30698	24213	24488	31278	30356	20182	23855	25921	28335	29682	34043	24176	22113	27253	24573	21382	21851
400.1945@0.9251429	1	1	10705	1	1	1	1	1	1	1	1	1	1	1	10701	1	1	1	1	1	1	1	1	1	1	1	6800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4610	1	1	1	1	1	1	1	1	1	1	1	1	1	22411	16335	1	4256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8577	10070	1	1	1	1	1	1	1	1	22146	1	32206	32421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7655	1	1	1	1	1	1	1	1	19023	1	1	1	1	1	1
5?-Androstan-3?-ol-17-one sulfate	504515	480018	454693	458982	204698	204763	440568	448551	383109	376362	526750	506554	987809	1033746	863111	887927	266496	265029	260520	271337	503948	476534	63490	65392	66704	89564	290584	289630	307168	306223	3022724	3130307	652454	647476	464174	485411	160379	172432	223280	222718	204295	217575	219861	237026	869286	912423	460838	479450	409849	427507	1239165	1250162	1249918	1182213	412006	412062	428793	421250	1140970	1095005	504274	500171	444770	398034	636905	619794	562792	562130	740266	733455	355843	367177	117487	112957	788639	809179	1048330	1019503	863576	873129	392189	406407	424911	432468	923380	922328	521063	549833	595637	609618	978410	982724	871063	851388	1693668	1747433	533810	541717	515208	501532	379127	373254	349628	389044	727511	740851	61993	62356	39235	38446	682055	706275	674781	680646	67027	69235	51794	46910	3072756	3059887	516986	512729	421426	393075	145524	150111	99054	130062	64721	58226	109502	107763	593072	631417	588376	543451	397661	447994	824164	814755	940356	974635	1174877	1
456.2527@0.9284956	27464	27741	137155	137464	21074	22242	155154	157119	41414	38174	1	1	1	1	20320	21223	4805	1	1	1	1	6166	1	5459	1	1	14458	15458	12729	12222	13161	14859	8586	9095	9626	10439	1	1	7441	7995	13061	13598	13191	10639	1	1	15813	14444	19943	18108	16843	15065	8525	9306	26628	27341	24019	23070	23571	24175	16774	16089	25559	25546	27811	28392	16032	16044	7951	10221	9912	10489	9833	11251	1	1	16706	14894	7948	1	22623	22689	24170	25493	21148	23397	10606	10387	14188	15904	15379	13250	10072	9485	13091	13238	9918	12254	7701	7053	1	1	1	1	1	1	17632	16482	13886	16035	18177	18646	18171	17329	15938	16560	7420	6454	20221	19692	20668	20080	11948	12531	6117	6499	12344	12919	13867	14516	1	4835	1	1	1	1	5366	3776	1	1	1	1	1	1
552.2869@1.068375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18162	1	1	1	32863	1	1	1	1	16066	1	1	1	1	1	1	1	1	1	3058	1	1	1	1	1	5878	1	1	1	20836	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11594	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
428.2214@0.91860545	15957	15975	12615	11191	1	4621	30864	32929	47646	33150	14516	12001	15495	5958	21198	20289	19348	20648	24425	25593	10912	1	1	7026	1	1	13968	1	9643	1	20112	21322	8248	1	10473	6024	18656	17458	15193	7305	8832	17449	18948	19721	12339	6707	15552	16811	17019	16668	16160	14842	14129	13218	15792	10156	14318	12914	7557	10916	39432	40831	48478	45758	20084	15047	13728	1	1	3668	1	8824	1	10992	1	1	15200	13533	16378	17159	12973	14885	13360	15092	16703	14661	8289	4878	13791	11363	9394	10985	10044	11260	15504	11187	1	5094	1	10617	1	1	1	1	5255	1	9237	10606	1	4664	18550	18095	19890	11471	8832	10296	1	5324	15152	18950	9594	10231	9994	1	1	1	1	1	1	1	10319	1	10614	1	1	1	3766	1	32347	30269	39915	30132	4358	11078
779.5197@0.94481486	5412	5612	5373	4363	5273	5090	1	1	4073	4344	1	3634	4748	1	3517	4301	1	5392	11565	9146	7419	6468	4194	1	9448	8426	5227	5610	4182	3792	3981	3858	7866	8059	4470	4819	4722	4790	3038	3938	4800	1	1	4250	10014	7829	6115	6402	9428	10355	1	1	4878	4716	7128	6184	9921	10034	8196	9093	5737	6589	6295	6005	7484	7959	7134	7377	6270	6055	5453	5399	18442	18346	4484	3947	2973	3233	4068	1	7881	7056	5791	6302	6332	5599	3732	1	2233	1	4940	5159	6758	6875	1	1	4585	3438	1	6700	1	3895	5044	5350	1	1	5941	6336	4286	5336	1	4359	4383	5305	7668	7026	3897	1	3590	4300	6561	5839	4872	5297	8391	7999	9052	9213	6498	6374	8959	9376	5477	6831	4558	5561	5021	5347	1	1	1	4473	4891	1
Marinobufagenin	1	29392	27980	29234	26118	26347	35426	33214	33336	28913	11016	9049	23515	24052	22467	20061	4209	1	1	1	1	21927	1	1	1	8296	1	1	1	1	27126	36821	22388	24992	14191	18565	9146	8946	9554	11233	1	15603	11485	12299	26292	24306	10788	16891	15467	14207	1	1	1	1	20214	15666	16760	12964	33850	34068	18506	17612	1	16929	25905	24891	14249	1	12944	13618	12413	11830	11102	12868	41283	45306	1	1	1	1	16022	15936	14070	12888	42911	57193	1	9860	13060	14798	9738	8566	1	1	30382	25256	10007	1	1	1	1	8098	1	10033	48224	52674	1	19594	16626	17230	22855	24568	13914	11491	20534	13548	15771	17736	23699	25601	1	20642	13839	13921	1	1	1	1	1	1	1	1	12576	12992	9832	1	8243	9389	15791	1	17929	21195	22203	17984
C24 H29 Cl N2 O2	7789	1	1	5574	5800	8806	1	5873	1	5303	1	3896	6451	1	5914	8194	1	1	1	1	1	7713	1	1	1	1	1	1	1	1	11235	13513	6441	7179	6420	4245	3327	6047	6952	5751	1	1	1	1	10220	10017	2375	1	4169	1	6319	6658	4548	1	1	3626	1	1	8158	8213	1	1	4905	3840	1	5157	6634	1	7754	1	1	1	4807	1	3404	5445	9975	8284	3888	6741	4888	1	1	1	8234	8382	7290	1	5895	6883	1	5266	1	1	13441	14204	1	3288	1	1	1	1	5713	1	8983	16452	1	1	8340	8162	7514	5505	1	1	1	1	1	1	14009	14974	10077	10363	8139	1	9767	11340	10461	8088	1	1	5340	1	5113	1	4446	1	4558	5738	8338	7944	8457	6630	7141	7340
469.1365@0.95019996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4261	1	7045	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2988	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4434	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6270	1	1	1	1	1	5084	5837	1	1	1	1	1	1	1	12306	13658	14629	15072	1	1	1	1	1	1	15831	17343	17199	19104	1	1	1	1	1	1
571.0926@0.95279974	1	1	1	1	1	5499	5987	6688	11975	8674	1	1	1	1	1	1	1	1	1	1	6959	6732	9507	9565	7920	6939	1	1	1	1	1	9038	1	1	1	3293	5322	1	3745	1	1	1	1	1	4895	5974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4556	4358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6072	5827	6193	6678	1	1	1	4616	4784	5424	10349	9130	1	1	1	1	1	1	1	1	1	7155	5278	6434	8417	8715	1	1	1	1	7098	6149	9377	7725	1	1	1	1	1	1	22810	22428	25486	26530	5736	6403	5741	1	1	4933	36961	36255	26711	29698	1	1	1	4418	1	1
3b,16a-Dihydroxyandrostenone sulfate	38741	38022	33310	33544	63684	70605	83513	84465	128280	125491	29558	32197	36756	32937	34053	35314	14980	13032	10934	12203	83495	85053	113248	103760	91696	89621	14170	14039	13824	13559	169885	180807	36547	39542	41509	39301	57644	58193	45880	47736	17710	19834	16214	15126	80388	80597	10527	11390	12182	13064	51093	58204	54039	52812	16484	13767	13731	9881	60436	57493	37603	36244	52866	50787	38004	38093	27448	24457	60306	60284	44251	43338	13606	1	23137	20091	63991	70079	52637	48301	28986	27190	27893	28381	87142	87903	94107	93316	56121	57009	73156	79126	83431	82636	165126	168939	26293	28024	21929	21370	37402	37288	37076	36773	106328	104326	86005	87034	110239	118336	37520	37277	32973	28542	107754	93082	111445	104991	106565	97218	22449	37208	33213	23091	354807	352267	390024	384229	82083	77423	75217	79693	65642	64162	605100	609700	444331	436416	57302	58514	85666	84916	64348	60500
240.0744@0.964465	2041437	2303743	1486977	1476924	9067	11300	2307147	2297429	1407212	1368059	442824	438460	1	1	20482	21047	1	9426	9539	10147	2010312	2028871	1	1	1	1	30507	29462	1243347	1189505	423219	427451	1	16914	76137	75070	1170247	1069830	594942	604345	18288	19133	1	1	1	1	11470	1	1483888	1510797	1	1	1	1	551981	549025	1	1	1	1	39584	37875	1	1	140564	144154	1	1	13085	1	20505	20497	92450	90564	34463	36773	1	1	21222	22070	1	8563	1	9582	250862	246985	521080	545706	2015459	2040709	869869	849092	587067	583730	1069394	1047539	2163541	2091864	2681863	2731004	3807116	3771986	1225092	1221566	937447	970974	1251027	1218989	1203597	1173143	950949	914850	866127	825164	1091490	1117311	1460424	1431326	1221291	1145145	995368	998143	1464658	1526415	211343	202572	950200	925381	997889	960679	2532672	2689145	3887986	3790140	617396	645641	2119662	2153303	747049	748060	129770	123535	122629	122600
340.2062@0.965966	43432	44183	42315	41579	34711	38362	43488	45743	44791	46635	34404	47251	61614	59015	45031	45979	52744	1	50887	49152	70021	72663	41488	41350	50915	48515	93540	96458	48251	46337	43296	41027	43140	41431	46269	42579	44564	42320	42225	42293	44361	47106	37934	36945	57004	55270	36293	39224	59071	57698	57013	49991	48610	48126	32214	44911	78347	73012	63471	70604	97041	98149	45377	44321	60473	54959	43749	38836	57666	59194	44219	42126	46247	43498	98533	96203	51661	54705	122612	120914	44830	43658	53588	55748	54754	49850	73447	74731	72350	70645	65669	68834	41488	44941	62751	63284	83200	68542	83994	85987	68418	64526	82539	82375	72850	70165	61676	59861	66363	68070	57605	55722	60099	66435	62730	60452	61503	68460	70500	75783	67866	55631	87195	88983	100780	101557	51301	57053	92810	94538	62448	67333	82033	70803	49515	52567	46762	35758	63493	63393	66551	67775	47479	48133
370.1799@0.9898462	1	1	1	1	1	12858	1	1	1	1	1	1	1	4865	9382	1	1	1	1	1	1	1	10554	9833	10861	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3486	1	1	1	1	39945	1	1	1	1	1	21026	25757	1	1	1	6612	1	1	1	1	5469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13539	1	12698	11511	1	1	1	1	10669	11060	1	10680	9941	1	1	1	1	1	27931	30570	28300	26710	1	1	15040	16244	1	1	1	1	1	1	1	1	1	1	1	7028
C8 H11 N5 O S	329085	367711	69386	63739	65659	23698	222350	202635	242152	263933	130859	125756	128557	118668	106211	113290	42164	33265	30021	36516	207369	220079	1	70923	77787	82862	52913	24572	1	63995	300024	338731	102483	116088	87353	128023	142272	144476	131935	108601	56150	56673	49292	69529	60965	175772	49721	58062	58314	42211	106169	275772	235550	306693	71417	59503	62050	52265	376864	355928	104481	92834	80445	82296	305793	353338	281266	325437	83968	124813	72923	73920	155071	152598	53003	168022	366048	293921	268515	328223	35716	1	93602	99072	64973	174072	179898	152428	143716	136048	178731	175546	149492	141274	312181	274277	122720	117299	134369	105596	177813	196550	156420	152176	212352	215568	151595	146294	88503	121759	313562	319286	281942	282177	1	52934	50193	55440	817143	818154	1	120843	98718	92713	331193	285081	278076	286864	48696	54048	75620	77317	1	30375	469883	468802	357132	440134	621339	637884	680873	686335	387366	410690
352.1697@0.9716345	1	27473	1	5349	4518	1	20266	23301	14154	1	12771	10641	13602	6838	1	9960	1	1	1	1	18404	21532	1	6527	1	1	1	1	1	1	31815	29415	8061	9261	6595	6798	10503	1	10309	10788	1	1	1	1	5087	15851	1	1	1	1	23572	25733	23057	20547	1	1	1	1	19520	33119	1	1	7544	6908	27546	29565	24840	25264	1	11666	1	1	14247	14321	7289	8987	29842	30981	31580	28461	1	1	1	8226	16884	7666	1	1	12921	13721	9071	14977	12495	12073	28926	29902	9235	1	11292	9215	21076	12093	10860	11845	11465	21442	11943	13330	1	10077	27037	31110	25502	30732	1	1	1	1	72510	94606	9160	4240	1	9418	28067	26674	24344	25408	1	1	1	1	6683	1	44954	49418	36293	40344	54039	53857	63089	68388	34796	40505
201.8661@0.94075	73481	1	33582	42773	24827	1	59449	39566	49161	20416	44350	44519	1	1	1	30013	21175	1	1	20077	1	17249	1	1	1	17335	23298	1	10074	19551	18740	1	8801	16952	25412	1	8637	8211	10228	15340	1	9064	1	7629	1	1	6632	1	1	1	10736	10334	1	1	16990	1	1	1	1	1	9600	9374	1	6308	1	6468	1	1	1	1	1	9286	1	1	8505	1	1	1	1	7927	1	6723	9532	1	1	8879	1	8131	1	1	1	11328	1	14438	9641	1	1	1	1	8737	1	18454	8535	1	1	8867	9673	1	15610	8781	1	1	1	1	8828	1	1	11023	1	1	1	1	1	12021	1	1	1	1	9605	1	1	6835	1	6306	1	1	1	1	1	1	1	1	13966	1
527.1394@0.97106606	3984	4287	1	1	1	1	1	5371	4316	1	1	4640	7696	7171	1	1	5791	5813	4915	6039	6968	7374	1	1	1	4232	9603	10273	5095	4587	1	1	1	1	1	1	4239	1	1	3990	1	1	3633	1	4675	1	1	3786	1	5405	5713	4243	5109	4540	1	1	7912	7475	5995	5635	8759	9290	1	4791	5917	5215	1	1	1	1	3638	1	1	3407	9040	9362	1	1	14176	15432	1	1	4841	5963	1	1	5752	7000	7055	5777	6407	5866	1	3604	1	4970	7827	9225	7575	8348	5738	5916	7126	7682	6843	5922	5426	6346	6956	6490	5751	1	6165	5417	5622	6098	1	1	5848	1	6345	6536	8437	8985	8752	8423	4462	4609	8353	8496	1	1	7539	1	1	4299	1	3978	5111	5152	6019	5680	4238	1
426.1136@0.9678631	1	4138	1	1	1	1	2414	1	12777	1	3825	1	10852	9732	1	8695	1	1	1	1	3788	1	1	1	1	1	4889	5010	5015	1	1	11166	1	1	1	9258	8377	1	6378	1	5629	4325	4382	5415	1	1	1	5407	7092	1	1	13548	18633	12228	1	1	6011	6000	17279	16925	6174	7202	6036	1	1	15928	1	1	1	1	1	1	1	1	4982	11332	8010	8306	25883	19300	6203	1	1	1	8292	9215	13690	1	4220	10323	1	8041	6027	9925	1	18468	10252	4823	9093	6315	11665	1	7611	13331	9956	1	9187	1	1	8906	1	3050	16506	1	1	1	1	1	33072	1	1	1	4734	3923	1	5296	1	1	1	4124	1	1	1	7611	20605	1	15927	14669	24973	25234	5455	1	21717	1
550.3038@1.0436249	3540	14082	1	6189	1	1	1	1	1	1	1	1	1	19036	1	1	13301	1	1	13552	1	1	15206	1	1	15867	1	1	1	1	1	1	1	12619	1	1	34763	26584	25398	25771	1	1	1	1	1	1	8549	9173	8880	17469	1	1	1	1	1	1	1	1	1	12502	20725	14708	5034	4622	1	1	1	1	1	7295	1	9473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17459	1	1	1	1	1	1	1	1	1	1	15896	1	1	1	1	1	1	1	15345	13728	1	1	1	1	1	10975	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6488	6954	1	1	1	8750	1	1
326.1907@0.97718024	83013	89983	76830	80586	71609	77614	78844	79628	82620	82745	99539	96557	125633	127984	91075	95476	94660	96835	95775	96119	125334	129976	77496	79351	93749	91340	176307	186407	88507	89663	81014	85246	90848	94395	99735	97564	91950	86232	80561	88373	92615	98222	72462	72257	115596	118847	74909	77431	125230	53494	103925	108577	89478	94042	92743	94110	153226	149210	131040	129871	176150	171570	101158	92681	109916	104081	78594	77649	119653	115360	86677	83674	81050	79399	201392	202428	103443	110633	730017	23164	84223	85690	133107	138077	94496	102095	148646	156187	157118	157021	140855	141217	81291	84099	138311	135848	177042	185708	238148	238619	168389	163905	168014	167760	140169	140464	108796	113478	132253	130285	53938	120885	113900	115328	122363	120359	116644	127060	145355	144010	129969	129414	169141	163664	184451	185204	109865	111181	186651	178427	124159	126061	153516	158926	113171	107212	96082	96447	121353	116555	128593	133716	61219	95216
513.1235@0.98165727	1	1	1	1	1	1	1	1	1	9098	9248	8394	12348	1	1	9188	8383	7899	8197	9614	13741	1	7330	6288	6644	7645	13068	14157	8052	7859	1	1	1	9280	1	9578	6521	1	7962	6660	8625	7462	5106	6337	9814	9090	5955	6570	9781	10568	1	8583	7444	10622	8363	1	12947	13214	1	1	13179	14313	8860	1	8499	9373	8108	7457	8550	7500	1	5612	1	5238	17290	17421	8698	9131	36175	36114	1	7466	10312	1	1	1	10948	13301	13536	12125	12443	11662	1	7067	11423	11730	13543	14968	18468	18890	11673	11773	1	11824	1	11432	9083	8732	10129	8320	1	1	1	10130	7662	7643	10298	9673	1	1	10601	12568	16401	14307	14702	16015	1	1	13309	13100	11117	1	14381	13376	1	7465	6387	7384	9966	1	1	1	1	1
402.0836@1.0151935	1	1	1	1	1	1	1	1	1	14538	1	4368	1	8150	1	1	1	1	1	5452	1	1	1	1	1	1	1	12871	6625	1	1	1	1	1	9490	1	13187	1	17486	1	1	1	1	1	1	1	1	1	1	1	4327	1	8448	5217	7498	12988	9491	1	7709	1	1	1	13152	9184	14388	1	11303	1	7022	1	1	1	1	1	5732	1	1	1	1	1	1	1	1	1	7145	1	14304	10061	9659	9711	9968	12381	11489	21065	20470	31045	17727	18678	24248	23387	13413	14742	55152	48154	37617	29288	24851	31384	24289	14814	46317	50433	63669	42779	19245	1	10106	1	8604	1	1	22048	1	1	1	1	17162	8658	1	7279	1	1	1	1	1	1	1	1	1	9537	6873	7423	33218	1
499.108@0.98892105	4485	3923	1	1	3880	1	1	3555	1	1	1	5366	6661	7732	5793	5740	1	6074	6139	1	7560	7915	1	1	1	4770	9227	8575	5801	4954	1	1	5160	5350	4950	5639	4454	4281	5487	4170	5140	5230	1	1	5499	5240	1	4078	6777	6665	1	5506	1	5269	4924	4917	8013	8404	1	1	6376	5693	1	1	1	1	4544	1	4622	5572	1	1	1	1	9190	9356	1	4805	13457	14475	4804	1	7687	6480	1	3704	6625	6987	7073	7794	6856	6614	1	1	6658	5831	8950	8675	7606	8204	6595	6071	7818	7987	1	6753	5004	6036	6335	6297	5111	1	5578	1	6481	4946	6191	5761	5907	1	5680	6074	7481	7870	7644	8530	1	5092	8121	7573	6405	6620	7097	7422	4242	5293	4269	4739	4261	5491	5379	1	1	4995
397.1521@0.9871034	1	1	1	1	1	1	1	1	1	1	1	1	4434	1	1	1	1	3552	1	1	3876	1	1	1	1	1	6552	6528	2878	3597	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4807	4384	5612	5275	1	1	1	1	1	1	1	1	1	1	1	4612	1	1	1	1	1	5269	4573	1	1	5368	1	4185	1	1	1	1	1	1	4782	1	1	1	1	1	1	1	1	6153	5776	6596	1	1	1	5520	1	5080	1	1	1	5024	1	1	1	1	1	1	6116	1	1	1	1	1	1	1	1	1	1	1	7269	5913	4657	1	1	1	1	1	4232	1	1	3121	1	1	1	1
C16-OH Sulfatide	8321	8939	4405	4255	1	1	3469	1	4725	5232	5519	5758	5975	5990	6383	1	1	4473	7290	7574	7574	7895	1	1	8602	8711	5702	5333	4701	1	5960	6540	7089	7358	3834	4105	1	1	1	2540	5207	4878	1	1	1	7491	1	1	10542	11814	5466	5212	9290	9080	13358	14927	14847	17003	17638	17506	5413	5930	6293	5954	11386	13068	1	10745	8026	7326	6322	5821	26038	25289	8795	9641	4192	1	1	1	5702	6246	5404	5339	7891	7976	1	3733	1	1	5871	5605	6951	6577	1	4919	1	1	4416	1	4530	4012	3958	1	1	3749	5271	1	4297	4737	6800	7035	6931	6270	5520	5459	1	1	5632	5531	5006	5472	1	4133	6239	7975	8576	1	6415	6318	1	6490	15877	17670	4925	4642	1	6582	1	1	5455	5156	7198	7448
312.175@0.98968655	69680	68268	67199	68664	63557	65253	60002	65004	71553	72405	75564	84501	107634	113206	80195	81334	80108	80450	84393	86674	115607	118395	66264	70109	74530	79565	137837	146317	80199	87654	72716	76381	82423	76844	78098	84249	85616	81072	74067	76032	84339	82910	60677	65839	107747	117411	71476	77507	109528	110001	96255	86956	86324	84093	81902	84035	126749	127751	111272	107836	119590	130890	80341	69611	90053	89820	72971	73781	96799	92866	70570	73343	66682	59249	161596	168117	92498	95427	282206	295488	72676	73383	120298	118206	87858	85639	120968	78462	131763	131633	129858	118265	72853	77606	109315	118135	149292	157888	149861	150629	125057	126393	133646	134194	116525	114227	94417	91644	106836	105975	94459	92671	90183	99718	103549	102797	97684	108871	118009	118182	104428	114484	135149	133885	153372	147378	90299	91280	147581	143143	101810	104187	126690	133117	97685	95883	86857	92414	106618	105812	102274	108405	88169	89615
1239.7784@0.9952374	5536	5202	5083	4926	7493	7865	8175	8497	4415	4120	7656	7270	5656	7302	9240	9277	8686	9251	1	1	6883	6586	4692	1	8491	8270	11015	11340	8643	9903	9340	9393	9047	8333	7094	7849	7316	1	1	1	9814	9308	6322	7136	6499	7721	6518	7041	8895	7188	9038	8856	1	1	6373	7403	7500	6813	10563	7744	4886	5104	6492	7228	3414	3690	7629	9261	5935	6160	8362	8189	3061	1	9072	8918	8333	8083	6668	7167	9072	9524	9788	9240	6331	5394	10319	8915	8495	8180	13247	11972	8806	7813	12210	10804	8027	5824	8097	8112	10381	10896	5755	6995	6587	7649	7719	6712	9094	7518	9145	8968	7843	7988	1	1	7656	8804	1	6191	7119	7143	5590	7297	7558	7511	5914	5295	11423	11371	11834	12023	7780	8574	9630	7894	1	5239	10749	9825	9334	9300	7148	6065
1228.7552@0.9975263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3853	1	1	1	1	1	1	1	1	1	1	1	1	1	3723	1	3414	1	1	5266	1	1	1	1	1	3710	1	1	1	2977	1	1	1	1	1	1	1	1	1	1	1	1	3269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5362	1	1	1	1	1	1	1	1	1	1	1	1	5334	1	1	1	1	1	1	1	1	3112	1	1	1	6020	1	1	1	1	1	1	1	1	4867	1	3851	5078	1	1	1	1	5428	1	1	1	1	1	1	1	4181	1	1	1	1	1	1	4001	1	1	1	1	1	5823	1	1	1	2946	1
1176.7834@0.99664295	70882	69685	67564	65991	75142	76562	89801	90764	31077	1	75577	74572	65583	65356	84517	87066	98639	94576	35738	34202	75581	76558	45349	47147	72295	72560	92316	88747	93721	97583	93161	96031	53139	1	74290	74298	80621	79137	42499	41472	86572	86754	58595	58311	35689	65201	68833	65943	75850	75040	80288	82031	34448	1	62407	63741	66229	66752	98847	99971	46385	46844	68616	67540	47938	49094	78994	80730	65212	37623	79446	82041	1	1	89495	86088	64828	63020	66876	70967	75663	79445	85266	82719	68639	67286	91401	97675	82660	77774	119270	119465	77757	80235	121778	122410	72524	69228	78847	77544	99266	100503	71757	73931	74167	73172	63646	65290	77374	74755	89081	88615	74466	73355	1	1	84750	84121	62123	61309	65810	61005	59234	59697	80319	80383	59102	55528	102687	102279	101261	100058	68200	72410	89472	73914	57437	59157	96951	95488	91005	86017	69589	40790
1174.7672@0.99667037	4424	3928	1	1	6625	6455	5783	6413	14885	61022	6333	7084	10970	11118	6864	7877	10502	10089	1	1	8062	7800	1	1	7734	8261	7851	8292	9302	10082	6242	5500	23116	96861	8573	8579	9269	9419	1	1	1	18485	5350	6179	11583	10514	1	1	10714	9878	5113	4920	1	38169	11623	11933	1	4403	16223	16882	4849	4223	1	1	1	1	6299	5638	1	15032	14853	14583	1	1	8372	8693	3653	3469	4193	1	12400	12850	1	2734	1	1	1	1	3945	3720	5011	5354	1	3976	7903	7274	8113	7906	7223	6745	7516	7747	5281	4765	12192	11303	4382	4098	4287	3722	4644	5340	3662	3796	55024	78472	9761	9123	4044	3366	5212	5206	8875	8139	4459	4279	1	1	3883	3832	5364	5346	1	3378	7394	8164	1	1	6746	6988	7329	6995	14090	14232
916.6057@1.002419	16957	18123	15189	12845	20143	20424	21943	21104	11645	12829	18663	17705	16308	18065	22550	22413	22855	22712	7348	8590	19069	18559	12187	12558	17943	16534	22434	23218	21600	24612	21666	23937	19724	24133	21663	21995	18666	18483	11411	12236	19479	19021	17104	16808	19129	15550	17837	17186	22964	22692	20778	21311	9865	9744	16292	15739	17238	16860	23545	23228	14591	13518	18202	18263	14664	13687	21886	20688	15452	16882	18094	18450	13221	14438	26901	28818	19466	22625	22269	21256	19216	20280	26466	25323	18872	18776	23610	25996	23616	23126	33413	34463	20721	21721	32006	32610	20943	20658	20138	22848	25945	28727	23413	23475	21595	20831	23435	24006	24823	24582	25699	23212	22641	23045	1	13852	24761	25398	20861	22232	20622	21369	21031	17261	21708	23889	21101	21293	28307	28139	29361	29813	25494	26351	24995	25160	13115	15090	27835	26262	21826	23179	19769	18164
Lys Met His	123565	128002	43065	43689	56578	55056	5252	4813	71872	14159	35867	37239	51473	48997	35654	39508	17646	18110	21145	22865	113751	111393	30597	29235	28578	25612	22628	20223	25476	27115	188974	206015	73672	69756	75665	68382	49519	45169	42808	43044	13173	13573	17072	16891	54047	52188	18739	21981	18559	17930	55856	56695	59022	1	32348	32584	26920	26766	142692	10679	76208	78768	84418	85240	1	1	71309	68145	44770	45754	29958	28393	31917	32195	100727	99415	77630	8481	72691	68242	26251	26906	25653	28577	93443	96847	80879	82389	71400	68908	73638	76735	70926	86870	133437	1	39203	1	31579	32020	54840	53975	48791	49658	97189	100967	33349	31240	25789	26062	136277	14983	137875	159173	1	1	35841	1	245243	1	66226	71366	57142	58843	94975	101528	102859	109321	22401	21328	35526	35126	51372	56092	42523	48725	35311	38612	61609	10585	1	73827	16973	140448
1044.2474@1.002375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3896	1	1	1	1	1	1	1	1	1	1	1	7722	1	1	1	1	1	1	1	1	1	13613	1	1	1	1	1	1	1	5667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7446	1	16465	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9034	1	1	1	1	1	1	1	1	1	1	1	1	1	6860	1	1	1	1
1117.2687@1.0020833	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5408	1	1	1	1	1	1	1	1	1	1	4094	7531	1	7903	1	1	1	1	1	1	1	7168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7652	1	1	1	1	1	1	1	1	1	5633	1	9300	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3095	9101	1	1	1	1	1	1	1	1	1	7881	1	1	1	1	1	1	1	1
656.4263@1.007625	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3826	1	1	1	2430	1	1	1	1	1	2737	1	1	1	1	1	1	1	1	1	1	1	3182	1	2771	1	1	3757	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3843	1	1	1	1	1	1	1	1	1	1	2739
298.1596@1.0045478	23256	23175	21130	22049	21587	22186	23176	22292	25151	25525	27014	29545	41980	41468	29180	30528	30451	29641	26990	28759	43564	43451	24449	24333	26635	25634	48513	49080	26564	25094	22267	22958	29501	27809	29733	29000	26509	26095	25936	25446	30525	29553	14213	20703	37897	35275	25678	23872	35182	39818	30392	29459	26992	28456	27242	26484	39617	43395	38987	40387	39323	40085	30527	28333	29630	31142	25742	24311	31492	32867	24094	26006	20340	21700	58070	56214	32966	33027	185925	180626	24849	23806	44761	43555	29858	27030	40530	40769	50174	48399	43524	43019	23681	27051	42536	42487	51939	54231	56974	56791	41274	44853	44090	42339	40524	42457	30872	33696	40151	38646	36955	33400	34186	35646	35297	32516	34555	35320	40081	38245	37046	42445	43725	45639	53072	53435	32189	32430	47197	50107	35162	37068	42925	42280	32350	32810	29288	33614	33193	33568	33768	33893	28885	26603
944.2091@1.006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6379	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
969.2296@1.0056502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5066	1	3318	1	1	1	1	1	1	1	1	1	4381	1	9198	1	1	1	1	1	1	1	6851	1	1	1	2856	1	4675	1	1	1	5593	1	1	1	6246	1	1	1	14451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6992	1	1	1	7257	1	5738	1	1	1	1	1	1	1	1	1	7024	1	1	1	7840	1	6951	1	1	1	4992	1	3339	1	1	1	1	1	1	1	1	1	1	1	4236	1	1	1	1	1	1	1	1	1	1
896.2089@1.008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6182	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1026.2588@1.0087098	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6191	1	4898	1	5940	1	1	1	1	1	5125	1	1	1	1	1	1	1	8399	1	4386	1	1	1	1	1	1	1	1	1	8941	1	1	1	1	1	1	1	1	1	10193	1	1	1	3283	2486	6128	1	5120	1	1	1	1	1	1	1	1	1	21896	1	1	1	1	1	4674	1	1	1	1	1	5920	1	1	1	1	1	1	1	4615	1	1	1	8677	1	6009	1	1	1	1	1	1	1	5690	1	7199	1	1	1	5295	4610	1	1	4596	1	1	1	4542	1	1	2826	6858	1	1	1	4504	1	2792	1	3632	1	1	1	1	1	1	3855	1	1	5307
952.2406@1.0112721	1	1	5351	5327	1	5315	1	6368	1	11583	1	1	5294	10385	5840	1	1	10331	1	11713	1	8480	1	5957	1	8350	4811	1	1	1	4163	6883	1	15091	5053	8950	1	12551	1	5943	1	8510	1	9199	6737	1	5020	20072	4189	1	1	5723	8480	8335	1	14650	1	5805	1	8728	6979	10484	7717	11087	1	10823	1	3344	5036	10942	1	5715	18508	40088	1	6032	1	6647	1	9212	5077	6751	1	1	6780	12202	1	1	1	1	1	9224	1	9364	1	8786	1	19448	5091	10135	1	1	4528	9253	1	1	5498	1	1	15393	1	1	5257	1	9614	14864	1	8990	1	10167	1	9040	1	1	5733	12130	1	6073	3588	9340	1	6869	2893	6302	1	13934	1	7378	1	9525	5991	6968	6778	1
1258.7098@1.0111904	1	1	1	1	1	1	1	5285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5710	1	4500	1	1	6878	1	1	1	1	1	1	1	1	1	1	4234	4686	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5973	5954	1	1	1	1	1	1	3863	1	1	1	1	1	1	4235	5069	4540	1	1	1	1	1	4069	1	1	1	3390	1	4338	1	1	1	1	1	1	1	1	1	4224	1	1	1	3834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7333	1	4479	1	5318	1	6282	1	1
339.1674@1.0161723	1	60402	36790	36100	9624	10147	65918	67485	57536	58427	26094	27748	12578	14578	17242	22634	11468	13686	10589	10710	86668	86872	13940	13224	10827	11459	1	1	60901	63211	20750	1	13529	15169	10180	11120	37496	29823	21383	15762	11005	11076	1	11936	11149	11513	11041	1	28946	32935	1	14044	13758	1	12714	13117	12036	1	12975	10821	28218	30989	19139	21638	36471	39705	10235	12947	19002	16311	21555	1	21000	22668	15440	17540	10385	11230	24651	21499	12634	12984	1	11923	34252	34983	34741	37893	27486	23277	52393	50874	120519	119773	148520	146316	220459	224194	130699	128696	134625	127078	131472	137444	49441	51567	40196	39942	36889	32452	47597	45585	42861	37752	47658	40988	54745	59806	59604	50660	57331	58434	62093	56634	82082	84505	71289	65378	110303	106532	96886	99448	102786	107314	57754	56457	53719	52984	53683	50083	27273	29441	39268	42341
1208.2166@1.0150849	1	1	1	1	7400	1	1	6318	1	12486	1	1	1	1	1	1	1	1	1	16234	1	1	1	1	1	1	10312	14354	1	12968	1	1	9598	13502	1	1	7427	35920	1	23624	1	14155	10336	1	1	17007	1	17228	1	1	1	7387	1	13802	1	16732	1	1	1	1	15406	23028	1	13064	1	1	1	1	12362	16061	1	1	1	1	1	1	1	1	1	1	12805	14725	1	1	1	14816	1	1	1	1	1	1	1	1	1	1	1	11666	1	1	1	1	12363	9042	1	1	1	12460	1	15887	1	9954	1	1	1	10107	1	14384	1	12998	1	12665	1	1	13160	19748	13462	11762	1	13753	10128	13538	1	1	1	30017	11759	1	1	1	6264	1	1	1
Scandoside methyl ester	1	33745	1	1	13580	22419	26213	21952	1	1	1	1	13948	1	10632	12067	1	1	1	1	1	30548	9246	1	12873	1	1	19682	17270	8895	34565	37180	1	14699	17627	1	1	20453	1	15520	1	8424	1	1	89186	1	1	1	7650	7870	27922	1	29505	1	1	8047	1	1	1	43094	1	1	1	9753	37034	1	21692	1	1	1	1	1	1	1	19784	1	1	1	1	1	1	25403	1	1	26698	28766	1	1	15467	1	1	16658	1	1	31002	35579	10774	12603	1	1	1	21751	18930	22564	25263	26615	16706	19137	14102	15166	31826	31540	1	31417	17998	6921	1	1	79469	1	13044	17466	1	1	1	31720	34375	1	8815	8949	12995	1	14498	21724	49045	42313	47298	1	58416	1	67257	1	39749	34749
1284.2332@1.0156152	1	1	5554	6283	1	1	1	1	7047	7648	6315	7362	1	1	1	6187	1	1	6614	12172	5966	6929	5037	1	6713	9293	1	1	1	6969	5434	6825	6460	10718	1	7157	1	1	1	1	6279	1	6900	1	1	1	1	1	1	1	4852	1	1	1	5613	12895	1	1	1	5166	8423	1	6728	1	7094	4571	1	1	1	1	1	8526	1	1	1	1	1	7350	7114	7349	1	1	1	1	1	1	1	1	1	1	1	6149	1	7044	1	1	1	1	6265	10032	1	1	1	10382	1	1	1	1	1	8811	1	1	1	12390	6956	1	1	1	1	7014	1	8509	1	1	7992	10770	8820	1	1	1	1	7769	1	1	1	1	6835	10378	1	6843	8937	1	1	1
881.2204@1.0168333	1	1	1	1	1	1	1	1	1	4103	1	1	1	1	1	4651	1	3438	1	4541	1	1	1	1	1	1	1	2828	1	1	1	1	1	5865	1	1	1	1	1	1	1	1	1	1	1	4161	1	5229	1	1	1	1	1	1	1	4556	1	1	1	2951	1	1	1	1	1	1	1	1	1	3540	1	1	5378	15635	1	1	1	1	1	1	1	1	1	1	1	4333	1	1	1	1	1	1	1	3581	1	1	1	1	1	1	1	1	1	1	1	1	1	4279	1	3597	1	1	1	1	2778	5504	1	3018	1	1	1	2475	1	1	1	4520	1	1	1	3016	1	1	1	1	1	1	1	1	1	1	1	1	1	2906
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515.3232@1.0657333	1	1	1	1	6491	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5993	5530	22014	20706	1	1	1	6345	23256	24406	43024	40900	26964	28721	10306	8838	17734	16885	52383	58144	36631	32124	13190	13972	1	1	1	1	1	1	1	1	20205	22572	39921	42234	1	1	28807	26517	6341	5922	1	1	1	1
310.2863@1.064594	4877	1	17634	17912	16572	17815	17383	17297	19072	18519	25093	24864	17583	18711	22231	28149	20529	21475	16246	14574	8518	10763	11032	1	1	1	8628	7634	1	8901	1	1	14982	14737	17673	14433	23336	23825	12358	12272	14047	13393	5951	1	14731	13225	14513	14206	12540	13918	13973	12978	11499	12237	15565	16836	12271	13053	7732	1	1	1	13878	13679	14470	15370	10762	1	10034	12118	11407	10484	1	1	1	7021	14850	12167	12512	11790	19159	20984	12402	12430	11530	12269	28307	28955	29869	30149	1	7669	1	1	9578	1	10840	11509	1	1	15646	16115	12712	15758	18984	19430	82201	79872	53457	52639	11581	10654	1	5919	12481	12582	14444	12762	7117	1	22489	23055	24549	23623	15458	15831	19105	20240	13652	14985	12638	12361	1	1	14681	12595	16457	15972	12076	9194	11000	10752	6914	1
208.0197@1.0661225	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10910	9918	12336	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10585	1	1	1	11184	1	1	1	6890	12897	9307	1	1	6494	1	13541	1	1	11837	16312	12508	9885	1	1	1	1	1	1	21227	19911	1	1	1	1	1	1	1	1	13798	1	1	1	13960	13586	1	1	1	1	1	1	15402	11513	18529	15424	1	1	1	1	14286	13104	11713	1	1	1	14097	12625	1	1	1	1	1	1	11304	13899	24341	1	1	1	1	13631	14873	12246	9321	1	11981	16030	1	15072	21207	16353	10842	11913	14624	11833	1	1	1	1	7556	12697	1	1	13816	13113	1	11022	1	1
678.1118@1.0662501	1	1	1	1	1	1	1	1	1	1	10035	3949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14367	1	1	1	1	1	1	1	1	1	1	1	7799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
424.3885@1.0638353	8875	11006	10496	1	9259	1	19432	21678	22158	19182	13922	1	31384	30080	27736	40076	10643	9786	9592	9857	9398	15133	13994	15932	24307	27596	1	1	1	1	1	1	16608	14172	16599	17124	18311	20715	12179	9357	30963	32289	17780	17458	23662	20420	13949	12965	21504	16856	13383	16551	18078	17951	12076	1	1	1	7668	1	10293	10021	11568	14972	18657	17803	13123	11229	1	4793	9559	8280	7792	6957	1	1	21939	19584	13594	13729	8847	11779	17730	15935	1	1	11952	8841	23765	22592	55581	57327	31276	31163	28444	27325	1	7045	7036	5956	8663	10621	16520	8030	10539	11220	15452	15212	13503	13650	87660	78205	57242	68814	12325	10573	1	1	9775	11004	27904	31271	22509	21141	12544	12567	14752	18027	27540	29388	27892	27789	5639	1	81852	73410	63488	67917	11368	11369	1	13034	15682	19483
8,12,16,19-docosatetraenoic acid	12456	13653	40724	38030	42010	44961	27220	28386	24384	26101	46243	45333	30188	25229	35793	34797	39027	42394	27050	28779	18857	19429	19286	17506	17936	17122	11985	11148	13884	12829	18068	18114	22614	20593	20516	17041	31924	30956	24332	24976	41085	39969	18442	19780	18150	13355	19278	20154	14039	16230	31339	31805	26887	25624	46888	46856	33249	37616	14094	14294	18678	17447	20942	21237	19528	20935	20193	19602	20050	16004	20734	18551	1	6019	19294	19467	31220	32618	26929	31229	56103	51830	38366	33464	18648	17499	49970	45182	53625	58284	11616	12505	7981	8339	27723	27798	26524	26498	13639	14426	46893	48078	43341	42784	35168	34491	47044	44347	54249	44609	24972	23700	17264	17208	14695	13634	22798	19495	19048	18975	30489	30754	29356	31284	27751	32939	26011	25950	23022	23157	21291	21765	13875	13116	18324	18379	20054	16639	47311	51284	42794	42129	17743	18321
26-hydroxy-hexacosanoic acid	18787	18891	27843	27289	23532	22527	45005	44831	50822	49552	28608	29784	72905	73463	70345	68226	25266	25155	22906	22742	26040	28063	33562	30964	48937	49979	13955	13984	16145	15791	13691	12586	40333	39994	53522	50306	38558	39920	30536	29968	70845	73958	46714	47956	54802	53532	33273	35165	47859	52723	38363	41787	44029	44592	23973	26307	17519	17232	15510	16440	29391	31141	29289	32147	44375	45163	32654	30822	16852	16809	21400	23144	17199	14792	6896	7464	50748	51513	33036	33446	27128	28704	38073	32650	1	4478	26740	25902	50007	52364	100763	106787	61365	62025	44509	46240	16359	14846	15791	15957	25811	24970	22843	21566	31135	30328	64052	63810	52548	51587	164749	159489	117983	125485	16307	16420	13643	12022	24135	26850	84785	86209	58443	56987	36622	35847	49642	47736	64459	64970	61614	57295	12212	12632	140152	136909	108375	106298	30703	31256	33624	33522	31446	34657
445.0963@1.0667999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	36760	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48509	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	53317	1	1	1	1	1	1	63769	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	43169	1	1	1	1	1	1	1	1	1	1	1	1	1
657.0753@1.068909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3789	1	1	3811	1	1	3671	1	1	1	6639	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4073	1	1	1	1	1	1	4880	1	1	1	1	1	1	1	1	1	3602	1	1	1	1	1	1	1	1	1	1	1	3009	1	1	1	1	1	1	9153	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9437	1	1	6200	1	1	1	1	1	1	1	1	1	1	1	1	1
716.0422@1.0669426	1	1	3085	5562	1	1	1	1	1	7147	5290	1	1	1	7391	1	3808	1	1	1	1	1	4839	1	1	1	1	1	1	1	1	1	1	1	4494	5628	1	5761	1	8040	1	1	1	1	5872	1	1	1	3204	1	1	1	8467	6812	4321	7411	1	4681	3369	1	1	1	1	1	1	5987	1	1	1	5512	1	1	1	1	1	1	1	7434	1	1	1	1	1	1	1	1	3809	1	1	2939	1	1	1	4060	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2891	7442	1	4901	1	1	1	1	1	2624	1	1	4388	7825	1	1	1	7562	5511	7899	1	1	1	1	1	1	1	1	4364	1	1	1	1	1	1	1
346.1588@1.068	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3623	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
472.2469@1.0648049	1	7903	41264	21220	1	7793	31210	33650	24224	12605	1	1	6128	1	5383	1	1	1	1	1	6345	5758	1	1	1	1	4378	1	1	1	1	1	1	6135	1	1	1	1	1	1	7734	1	1	1	1	1	5649	1	5448	1	1	1	5563	1	5773	8205	1	1	1	1	8823	1	11997	12387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17010	1	1	7899	1	8046	1	6750	8505	7499	1	1	1	1	1	4025	1	1	1	1	1	1	1	1	5316	7489	10689	12019	10318	10124	11494	1	1	1	1	1	1	13851	1	7405	1	1	1	1	1	1	6216	1	1	1	1	1	1	1	1	1	1	4936	1	1	1	1	1
434.3724@1.0622634	10263	9106	1	1	1	1	1	1	5897	1	1	1	10879	1	17983	18561	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6761	8131	1	1	1	7882	1	1	1	1	1	1	1	10660	1	6070	1	1	1	1	1	1	1	1	1	1	8041	7594	1	1	1	1	1	1	1	1	1	1	1	1	5285	5680	1	1	1	1	1	1	5332	1	1	1	1	1	1	1	1	1	6360	1	10127	1	20320	20229	4827	1	1	1	1	1	1	27625	1	8157	1	1	1	6567	11204	11143	1	9120	20363	24190	25057	25851	1	1	1	1	1	1	7496	9624	1	6910	1	1	1	1	6113	1	1	1	1	1	1	1	1	5170	5940	7723
2Z,13E-Octadecadienyl acetate	6133	6644	18219	21068	20364	22375	21166	19686	18582	18240	29285	30631	17901	18794	22077	23007	24103	22644	16540	16106	9426	9065	10611	10260	10839	9441	7155	6723	1	9522	10384	9133	18112	17358	16083	16599	24170	24077	17157	15915	22501	17660	9208	1	14497	12983	15050	14975	13723	12580	17066	17265	13667	15162	25095	24149	17688	18971	11338	9825	11558	1	13997	14020	14857	14571	14819	13349	11101	11616	12901	11487	1	1	12236	11974	14997	13789	1	1	21512	21182	15881	16149	13392	15677	24712	23004	24244	24848	6837	1	1	1	16151	16817	11580	11383	8465	1	22866	22400	20970	22663	24609	21138	23491	20045	28628	27420	11559	12066	6760	6912	13552	11831	14843	14996	10908	10765	23328	22816	18537	20534	17568	17119	17782	17424	12545	12977	11650	10327	8727	1	9827	9559	9791	12225	18805	20620	14982	14229	9866	11714
C26 H24 Cl N O	9594	7986	43764	43209	48366	45897	48456	50498	39109	36239	47889	47125	39033	38403	46350	48856	48237	50122	43354	39676	33348	35142	44748	44487	27056	27002	31208	29838	42676	41809	23950	23411	47219	46966	55925	57482	47405	51080	46344	43975	57123	59180	32718	32063	42719	39678	49245	52781	49711	50789	50549	49358	44246	45816	61006	57060	54800	54317	26677	27614	46326	45762	53092	55026	49302	50482	47208	47934	57572	58050	48868	48504	8765	1	39080	36283	52520	54081	52132	50873	63327	63684	49779	50695	30087	34293	63942	62084	65144	66185	27597	27027	16241	15592	35409	36049	49990	51909	30119	30662	52939	52178	50099	51968	63108	61745	55457	55573	66516	65667	34990	38112	21742	20139	35954	35392	50354	52884	27125	26417	63081	63954	70883	71868	60481	58786	59355	61707	49280	49946	39016	39374	16433	15509	37066	36954	33543	33132	46452	46476	40584	40247	26257	26460
209.1049@1.0667202	12356	12709	1	1	1	1	7197	7878	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4377	1	1	1	76423	74727	1	8082	29573	29590	1	1	1	1	14146	11579	1	9421	1	1	1	1	22476	23817	1	1	1	1	1	1	1	14968	1	1	7601	1	8924	1	16451	22075	55461	53611	1	1	49225	48171	1	1	1	1	1	1
3-oxohexacosanoic acid	11614	11744	12674	14349	13744	13059	21636	22364	17928	18014	23630	27025	33207	35530	36352	38279	16567	17641	18328	13003	13521	12458	18049	18116	22249	26005	4645	1	1	5262	9072	9225	19216	18803	17387	17011	25568	24692	17384	18913	29368	29539	19653	19967	25243	26431	19304	27026	17782	17644	21122	23172	27682	28672	26833	23844	17893	18139	12885	12763	12747	13219	12166	12333	14959	15815	10673	10226	5950	7340	10572	12273	13757	14064	4013	4819	25920	25399	16546	16659	16734	24041	28971	25540	1	6137	12988	13752	24606	25052	35115	34709	25834	28137	33782	33936	11706	11586	8479	9193	16439	15800	14378	15685	17609	17986	14302	14730	14747	13217	55031	54534	43162	44893	26045	28654	23196	25450	16870	15761	33811	34843	37954	27031	21273	20331	20666	20710	23221	22215	23513	25072	10078	11116	24449	25423	23697	21595	18950	19352	18879	18274	20461	19798
654.0923@1.0660983	1	1	1	1	1	1	1	1	1	10816	1	1	7402	7829	3203	1	1	1	1	1	1	1	1	1	1	13951	1	10539	1	1	1	7917	1	1	1	1	1	16238	1	10209	1	1	1	4641	14015	10003	1	1	8545	7935	7933	1	13287	7783	1	1	1	1	1	1	8153	1	1	8621	12878	9507	8526	10553	1	1	8171	1	8102	10232	1	1	1	5383	1	1	1	1	1	1	1	1	1	1	1	1	7323	9169	1	5276	6590	1	1	9460	7421	9744	1	1	1	1	1	1	7791	9664	1	10646	1	2963	10903	4552	1	1	1	1	8781	1	1	1	1	1	10838	11211	14020	8168	1	1	11328	1	12932	8815	9371	1	12067	11793	1	1	1	1	1	1
C14 H33 Cl N6 S2	32550	33049	127241	122382	118373	115603	90625	105478	85523	83792	135339	99459	83003	80647	87012	88214	123497	103589	87875	84572	47673	51632	47231	48759	38207	35613	42104	42248	63720	61964	39336	37550	90351	58110	72803	87625	70551	67871	65277	58310	77304	68610	54119	49693	69496	63026	81179	81815	65445	68841	72335	1	67287	54769	94976	90821	63356	89203	1	1	43727	79500	46652	1	102468	51924	88701	81978	1	1	1	1	18276	21573	32161	37388	53538	53727	53731	54252	1	79851	84655	69598	47971	47414	82052	83389	86916	88460	32460	1	21641	20589	57587	102510	1	1	26121	60395	56044	57007	56563	52629	66222	61791	72374	52788	65330	65608	50985	50273	32577	32884	46641	52744	54454	66379	33805	1	1	106653	1	1	58794	126526	1	1	44880	49459	39765	40719	21028	23861	49853	47420	38105	43044	48668	55003	53231	49890	35077	31726
Methyl oleate	1	5772	1	6583	1	1	19065	1	23875	1	7096	8533	6441	6982	10563	9385	1	8881	16364	6555	1	1	1	1	1	1	1	1	1	5412	1	1	1	1	1	5543	1	1	5240	6941	1	1	1	1	5052	19041	1	5762	1	6894	8332	5158	1	6594	8632	6743	6158	1	1	5849	1	1	1	1	1	1	1	1	1	1	7595	1	1	1	1	1	1	6165	1	1	7106	6551	6551	5919	1	1	10346	10036	30421	11679	1	1	1	1	1	1	4625	1	1	5147	1	4813	6726	6359	5690	12139	1	8619	12507	9295	1	13221	21171	1	1	6330	1	5561	1	6976	5336	5175	1	1	8127	11890	13305	1	9325	1	6346	1	1	12809	1	1	1	1	4780	5507	12405	1	1	1
7,11,14-Eicosatrienoic acid	17654	18743	41700	37718	51727	54612	30137	30837	26507	25034	61239	64665	27799	26900	38412	41312	61874	69977	50495	48932	29888	27255	34729	34318	35552	34939	21975	19883	19740	19751	26658	28804	41248	40250	31253	32777	56280	53065	43007	45528	46870	47315	24859	24449	24130	23478	33924	32827	25763	27470	36727	37618	34675	36412	61767	57643	40900	40227	32370	32579	33364	30928	33743	32185	33435	33868	32474	32058	28514	29211	33993	33415	18203	22217	30793	29732	46691	43141	39746	41005	1	61177	46093	47039	41458	42712	39847	42457	50867	52175	17564	17696	11071	13317	33487	33579	37073	40302	23751	23932	64257	64661	59344	58822	36444	36150	57476	55700	59806	57303	41999	37591	30121	26070	22949	21069	29941	29089	26085	25975	39071	38887	35857	34916	51838	54025	48188	48468	29978	29145	25349	24975	19337	20088	29123	28948	25235	24383	61738	63028	49987	52935	29798	28757
404.1641@1.0682126	5405	5972	12089	13237	15573	14805	1	1	11458	1	13887	1	1	8733	11520	1	13278	13653	12309	1	8402	1	13289	11851	7878	9398	1	1	9137	1	1	8358	11063	11572	1	11399	1	1	9933	10058	1	12764	7613	7970	1	1	9105	9971	6659	1	1	10143	10224	1	9406	13457	13046	12796	8103	6598	10982	7232	1	8520	9485	10254	9551	1	9636	1	10826	10808	6340	1	8999	1	1	11382	1	1	13157	1	13243	12958	11186	12090	1	1	1	12754	6709	6400	4210	4127	8327	1	1	11011	6997	6735	16002	1	13470	13619	1	1	13159	12704	12617	12076	1	1	8919	1	1	1	1	7344	1	1	9951	1	1	1	1	1	1	10386	1	1	1	1	1	1	1	1	7399	7915	1	11414	1	1	1	6752
C19 H30 Cl3 O3 S	1	1	55595	46235	61154	58527	58894	1	51801	52871	1	1	50739	52509	67896	70576	64054	68472	23684	59018	1	54104	71019	71265	48436	1	47438	45921	68607	63763	39852	39414	84545	83208	95074	96717	1	1	81106	1	99727	103989	1	59366	80757	77393	89502	87670	1	96552	1	89231	81528	1	106499	101784	101409	94188	1	1	79104	83708	88135	90337	86188	1	83235	84307	94111	94605	79679	83088	1	1	1	62739	88294	88533	90674	92614	112954	107452	93416	86613	52255	39528	110919	109869	113841	119243	54093	55926	19885	28653	1	81577	87995	84350	50478	52800	91518	1	1	90263	111800	111919	96791	100708	118324	46665	1	83639	56979	55187	74091	54296	91872	95325	55471	53299	116163	118978	120279	129956	105010	106910	105332	105322	93667	92450	30766	75162	34335	24902	68877	72910	65134	67329	86442	84880	1	77928	55421	1
Stearic acid	69130	72466	192361	186880	178628	183951	156160	150742	158069	157898	181180	186234	165244	169059	190154	188653	236970	251562	195475	188796	98845	100908	108872	104219	99471	91707	99552	90666	100441	92378	91500	95345	150939	158630	123777	123174	177436	169739	124918	123475	134448	135137	91236	91906	168230	156196	124515	133245	113825	113420	118932	121227	126492	126155	170959	174326	148400	150752	79140	79348	105402	105783	117424	115551	113068	116749	99249	93332	95280	96099	88627	86878	50557	51565	85485	83305	110013	108239	113277	107353	135919	141219	117609	122934	118989	118829	189138	195225	226232	237855	76515	72608	49870	46962	131832	132739	94692	94610	63007	60334	156120	141377	136051	145716	156119	170988	146321	144039	189086	175324	133790	129477	82216	85099	122194	128393	144080	139717	83132	82199	146155	142086	132019	129334	146538	150371	141717	145587	111732	114365	106031	105413	84149	82675	118999	121908	127986	110965	127140	115409	130509	136276	84366	81584
386.2445@1.1171428	1	1	1	1	1	1	8223	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4347	1	1	1	4666	6670	1	1	1	1	1	5501	1	4784	1	1	1	1	1	1	1	1	3756	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1?-hydroxy-23,24,25,26,27-pentanorvitamin D3 / 1?-hydroxy-23,24,25,26,27-pentanorcholecalciferol	35774	37104	71853	71818	86162	89051	53015	52517	46081	46229	129038	123730	56267	58109	80842	79661	163515	172938	104631	103453	56961	54875	72488	69884	57166	54333	36473	35017	42946	40801	54980	55191	114928	121716	93926	95737	152976	144506	115303	118353	116252	121033	56948	59397	63893	59706	129744	136890	97027	101724	93093	96292	87703	88655	115733	113163	84767	85876	49942	46256	95892	95196	98849	96917	59134	60636	62748	59926	68141	64029	75475	75196	24749	23573	59696	55208	87485	86865	89720	89273	146801	156440	113828	110575	178783	180956	84447	87982	100971	108890	51478	49692	35071	35097	60631	59517	80882	83302	54837	53560	139696	138034	129924	135222	129438	125992	197425	190393	174782	172026	58750	57085	64127	59695	77595	76597	119353	121970	51055	48953	81007	83471	77824	77502	171197	160309	137681	136307	45572	46121	45609	44903	35825	34681	84000	86091	63706	66521	129290	127352	117393	125142	52129	49438
432.0386@1.0676914	36209	51186	19739	60018	15983	25756	13686	18563	20555	30668	40282	32574	14094	47847	27332	37079	25316	53818	30851	24127	1	20168	19735	22531	23184	71436	28620	64049	15957	56448	39280	16178	22667	30576	23591	21693	19142	30101	24790	39271	25090	55462	20854	26172	70826	26181	17309	1	28600	50880	23634	25789	30213	34747	31779	33880	15693	28618	18994	31758	21079	20122	34099	22425	44757	24134	17303	15072	28410	31917	22768	21972	20529	14235	15533	19539	13070	65829	21844	48195	1	29821	15427	25369	12055	19897	17207	67171	13584	11612	15111	25129	13436	1	18800	21311	7747	24472	18123	20265	11424	12858	29384	1	10513	14569	1	26546	14612	26367	13176	33067	16453	19426	20890	35285	10815	17142	17622	32402	13391	38464	13218	31190	91091	32858	17669	27922	33906	25388	18433	38074	11736	14716	46994	30783	22084	18584	16970	21567	23662	20799	1	1
467.0823@1.0696667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2903	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3330	1	1	3997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3695	1	1	1	1	1	1	1	3549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3263	1	1	1	1	1
C40 H23 Cl3 N3	1	1	6136	1	4384	6341	1	5806	5562	8480	10312	6561	1	5949	8384	16535	6922	9512	6415	5918	5146	10907	1	11566	9224	6469	1	8385	1	16710	1	5931	11508	9020	6801	9203	6307	8046	5973	8307	7513	1	9770	8290	6617	7447	8884	13074	8334	1	7558	10260	9700	9630	8258	14465	11804	9235	5086	6358	7164	6987	13777	7534	12929	8830	7656	7743	1	1	6678	10905	4551	5426	5648	7883	6653	12783	21205	9166	7642	8850	10187	12392	1	8223	1	10123	6376	1	6383	6910	1	7021	7942	8660	6387	9488	5279	7389	1	1	6217	7743	1	9827	8886	8587	1	10132	1	6983	8550	1	1	11111	1	6895	6023	6974	1	12573	7793	15968	10866	11375	7190	9222	13598	9223	7985	1	1	1	6331	1	1	6432	7144	8832	8635	8711	6013	6805
15-hydroxy-pentacosanoic acid	12995	13815	17482	18610	18345	18147	40178	40079	43630	41460	21459	23109	58634	58050	55144	53019	17758	21635	18654	18651	21584	20070	29390	30787	46600	46830	1	8684	10784	10096	9690	9711	32919	36675	40561	42451	37335	35985	28193	26872	64412	61979	37798	41482	43352	42734	29921	31567	45411	46612	35078	34783	35554	37194	23275	24722	15306	15661	12875	12429	24234	26184	25444	25741	43648	43261	28388	29008	11075	10675	16853	18705	14611	12840	4743	1	40750	42020	26753	27617	24559	25045	31756	33128	1	1	19719	21526	40956	46440	95524	96492	54334	53529	35796	36763	14512	13420	14339	14314	23086	22967	19360	20151	23417	24534	52048	54408	39937	40772	135523	128546	102876	99252	12607	12618	9800	9566	20947	21757	69575	71439	51720	54610	31609	31404	42137	40049	55351	53218	51529	52231	11537	9326	110625	109658	83611	82713	25025	25834	27663	25710	29049	25919
300.0336@1.069462	63699	64177	91570	115759	103534	134137	80375	110901	125663	186918	150669	128988	125625	141778	169264	1	137122	144734	131891	149628	98426	117076	123260	149767	122046	121380	109667	182077	97902	166384	99878	105645	158569	182847	120630	132606	131567	181212	131315	167410	127742	127058	129269	131361	138593	167731	110863	180529	139899	118974	123939	156790	177812	150116	126369	183126	110561	122345	115933	151507	134594	140905	173527	140677	203803	144163	123270	136467	117328	166651	121664	157314	102102	61325	91379	113118	104460	201007	218191	139756	127287	123235	118580	146192	100278	139491	89372	121503	94049	108143	106405	112888	112903	109516	127283	160844	106345	173906	100692	120494	78784	84429	92575	132005	91559	96617	139034	191766	100069	171798	91869	146682	135998	130182	114095	149354	82918	104294	108553	138647	106088	160212	112391	177014	189896	206955	134045	159486	152362	146831	146614	181432	106456	122907	131439	183612	110876	141814	105703	143057	116474	142735	102308	116245
Met Trp Met	1	1	1	10257	8661	1	10253	1	1	1	1	8279	1	8632	1	10616	1	1	8283	8360	1	1	1	7036	5488	5724	6698	7620	8844	6483	1	1	8908	9827	1	9976	10932	9724	10274	1	1	1	1	6362	1	7237	1	9459	9969	9371	9706	9329	1	1	1	1	10158	1	7379	1	1	8200	10303	8455	8523	1	8007	7961	1	1	1	7954	1	1	1	1	9079	8413	1	9058	11494	11250	9635	9424	1	6791	12046	1	12285	1	6383	1	1	1	7833	1	8782	1	1	1	1	1	1	1	1	10185	11183	11708	12839	11537	1	7093	1	1	7652	1	9272	11221	1	5465	10967	1	11966	1	1	1	1	10481	9296	9883	8568	8252	4475	1	1	1	1	1	1	1	1	8207	1	5793
123.9831@1.0292162	1	1	1	1	1	1	12663	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18827	19145	1	1	1	25052	1	1	1	1	1	1	17948	11396	1	1	1	1	1	16852	1	1	29859	1	1	1	1	1	1	16693	16523	21795	26067	1	1	1	1	15825	1	1	1	1	1	1	25002	1	1	17591	17324	17950	1	33814	20130	1	32178	1	13300	17951	1	1	1	1	1	1	1	1	1	21378	22250	15922	21357	1	1	1	1	1	42638	1	1	1	1	1	1	1	1	1	1	15826	18499	1	1	12996	17998	1	44927	20168	15223	1	22790	1	1	1	1	15494	1	16434	1	1	1	1	1
428.1791@1.0688556	1	1	10168	1	1	11509	1	1	1	1	14176	13646	1	10039	9372	11791	14889	11619	12023	12835	1	10922	10575	11213	1	1	8718	7924	7884	1	1	4560	14661	14648	14455	10485	16183	14094	11651	12685	12012	14025	6977	7591	8750	8249	19660	14955	12256	14354	12393	10018	10461	13625	12433	1	10430	1	4151	1	12432	12664	14612	16855	8864	12471	7811	13567	1	10760	1	14353	1	1	1	1	12583	11856	14609	14938	16998	15611	1	10615	26425	27470	1	14020	1	1	7808	7032	4222	1	1	1	9919	10145	8886	7007	14105	13368	12438	14425	12351	12831	1	18663	20436	18659	1	5942	1	4984	11016	9582	14806	14991	1	1	1	1	1	1	13613	14686	14122	12380	1	1	1	10017	1	1	10048	10296	9223	1	11748	1	11199	10856	1	6277
1,9-dideoxyforskolin	1	1	5613	6141	7755	6050	5505	6109	6087	1	5222	7116	6147	6405	6759	6844	7486	7235	5493	6321	1	1	1	1	4078	1	1	1	1	4076	1	1	6644	6550	1	7370	1	6227	5375	7261	7666	7101	1	4647	1	1	1	1	1	1	1	1	5288	1	1	9646	1	5198	3715	1	6886	6210	1	1	5927	1	1	1	6090	6362	5767	1	1	1	1	1	4650	1	1	6952	7747	7666	1	5417	1	4018	8039	6729	7921	7569	1	1	1	1	4350	1	1	5511	1	1	5940	5942	5600	6031	1	1	7350	7180	8911	8676	4006	5673	1	2852	1	4552	1	6717	1	1	8122	7419	7845	7373	6025	1	7846	6657	1	5676	1	4552	1	1	1	1	1	1	1	5130	1	1	1	1
412.2612@1.069909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5039	1	1	4781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5994	1	1	1	1	1	1	1	1	1	1	1	1	7068	6220	1	1	1	1	1	1	1	4729	1	1	1	1	1	4908	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7048	6999	8762	8383	1	1	1	1	1	1	1	1	1	1	5978	1	1	1	1	7826	7674	8607	8900	11235	1	1	1	1	1	1	1	1	1	1	1	1	9899	8693	8875	7196	7996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H34 S3	64354	69730	489097	469958	489361	491053	459705	427245	348787	328931	439608	435914	338223	321538	416751	416702	404516	408162	283084	273141	187272	188106	253420	249102	143075	144431	146577	139609	201016	195848	86881	96115	279936	289752	307321	310682	307329	291337	250543	253162	356538	349146	161235	161604	243574	225372	292838	292570	261488	275516	277971	273134	220766	230275	359854	377545	303485	319565	167518	168313	254533	249537	288799	287501	259660	264491	235175	231155	348069	323796	288649	291388	41532	38594	143518	144791	277915	278503	256747	257057	411759	360561	275641	266164	135814	136085	367236	363332	415156	424715	130973	150838	68131	70705	188447	188206	295466	290909	122334	124449	273598	267998	262730	267706	324411	328926	327275	316092	406548	402010	196558	190573	110973	107713	176475	178184	255987	265396	110255	149337	399556	372822	432763	458169	311636	317246	369967	368162	235382	251587	176397	177714	59848	59000	185487	183550	173097	177191	183461	210964	188874	181062	117329	111213
334.0288@1.0718838	1	1	12695	13326	15228	17292	1	15644	1	12456	16194	15130	16780	14004	15383	16225	20513	19759	14847	1	1	1	1	15890	1	1	1	16136	16408	1	1	1	1	20778	1	1	20200	19477	1	19291	23815	20164	16268	1	18757	1	15227	17915	18979	1	1	1	1	1	16549	19462	22850	20441	1	1	17834	10349	1	17621	1	1	1	16543	23072	18970	1	1	1	1	1	1	1	19051	1	17468	1	22949	20518	18536	14220	1	19483	21385	1	17322	1	1	1	1	14980	1	16655	1	15408	13922	14450	1	20157	1	22327	1	15752	17420	21159	20704	1	1	1	1	1	1	14431	1	1	1	23265	1	19907	20703	1	1	1	1	1	15070	1	1	1	1	1	13507	14845	1	16197	15106	1	15593	1	1
448.138@1.0722668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3182	1	1	1	1	1	1	1	1	1	6508	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5222	9043	8432	1	1	7753	1	1	1	1	1	1	1	1	1	1	7189	1	1	1	1	1	6948	1	1	1	8134	1	1	1	1	1	1	1	9231	1	1	1	1	1	1	1	1	1	6084	1	5166	1	1	1	1	8552	1	1	1	1	1	1	1	1	1	1	1	8062	1	1	1	1	1
400.2622@1.0703334	1	1	1	1	1	1	1	3060	1	1	2664	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3415	4637	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5166	4005	1	1	1	1	1	1	1	1	1	1	3859	4349	1	3157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
8,11,14-Docosatriynoic acid	134204	139607	238850	227877	228097	232579	212344	211186	173021	175641	393204	411538	165135	172364	234994	238988	619195	637569	500455	498296	143902	145325	382246	396540	252801	252828	189472	195228	181661	174506	164494	166705	600958	595684	505062	514555	666766	649556	547497	545014	477494	473135	279074	283772	413577	408970	932821	946314	713307	752161	505245	490221	458531	438736	265313	273858	193926	197174	109306	103257	490561	496609	644618	655771	315997	316648	291345	289341	368185	375220	449558	453281	86108	82318	182469	180664	318585	306749	351156	345469	514292	521944	482405	479548	1892432	1930387	237455	235168	260452	253995	368321	342337	280655	269121	174725	165183	368220	369294	254248	254329	475289	477901	507559	511093	840575	841814	1517308	1510987	1122642	1102994	239980	232232	285462	287852	705518	695626	1079081	1103215	206074	197843	312163	306604	270436	262588	1107829	1055137	950781	941338	177136	178248	220479	237710	134807	131657	493261	491902	332384	321040	346245	338588	325088	327667	202746	204408
17-oxo-20Z-hexacosenoic acid	1	7484	11497	11308	9090	8565	11655	10386	1	7545	18895	11115	16332	16332	18426	19802	9678	12346	8302	1	6024	8117	7261	8059	10270	10014	1	1	1	1	7968	8527	11057	9472	1	7152	12444	13368	9140	10949	14093	13500	9354	9103	11430	11382	11076	11225	8216	1	10165	11905	14198	15527	16284	15648	12081	13360	1	1	7081	6227	7634	7455	7190	7213	1	6942	1	5888	6752	6549	7889	1	1	1	11749	11090	9123	9526	7677	7764	16184	15548	1	1	11791	11231	16645	15425	15039	12908	12878	13322	18929	18406	8176	9068	1	5272	13950	13970	13284	14054	10326	11031	8179	1	26769	10334	19790	21022	15054	15573	20838	22356	17332	18297	10730	11398	18993	16805	15778	12898	12140	12027	11344	11667	12549	12302	12032	13303	8518	8205	9360	1	9078	9902	11735	10737	9300	11871	11664	11806
330.1581@1.0802221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5270	1	1	1	1	1	1	1	1	1	1	4779	4868	1	1	6471	1	1	1	1	1	1	1	1	1	1	1	1	1	4062	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7066	1	1	1	1	1	13833	5663	1	1	1	1	1	1	1	6973	1	1	1	1	1	3974	1	1	1	1	8702	1	1	1	1	1	1	1	1	1	1	5437	6524	1	1	8005	7461	6479	7962	1	11971	1	1	1	1	1	1	7169	1	1	1	6101	5424	8303	1	1	6074	1	1	1	6681	1	1	1	1	1	1	1	5930	1	5580	3693	1	1	1
508.0374@1.0696195	19433	25004	29059	32495	31766	38830	23015	29861	33739	41073	1	34373	36144	30315	44455	52563	36143	44029	37818	31269	27422	29329	35554	37077	35815	41998	28041	1	27281	1	27556	28655	41858	48547	1	37809	46409	58386	40327	42373	39309	41072	33097	39900	43291	37082	34831	46450	39563	33830	33243	41186	45618	46456	36359	52896	31365	20659	30784	34782	31055	41039	43668	37174	54231	48820	28805	27664	33896	49371	31372	43591	29466	27676	18669	23307	29018	48036	49719	36892	35924	37584	32203	41548	1	36092	25153	34223	26720	30279	21886	34628	29993	28517	29503	37150	35274	46384	33975	32306	1	24510	30405	26310	1	1	34731	49739	28256	51407	1	43412	6477	42572	29761	37392	23249	1	26341	26834	29039	48920	34880	45503	38714	48834	29643	42935	33949	48321	35527	51046	32066	26597	35273	55148	31293	35376	26360	46092	31587	42044	32203	39199
Mestanolone	169111	177579	290130	288107	380016	379270	233600	231208	211774	207770	347243	365597	228806	224495	309397	309426	371549	386094	265990	250809	197775	204078	301808	288089	247858	245952	174643	172857	181105	173108	215448	215676	339778	339723	273961	280967	349398	340471	313197	319049	417536	405712	227878	231078	182890	182670	243860	247638	187843	198460	334233	327481	264933	267194	462677	457686	316769	326152	248320	243473	245530	236015	241493	233512	223105	227117	214034	203037	226406	228184	307244	295896	248765	253277	227022	222679	372390	369348	375093	376083	480253	483569	379908	373946	376762	385291	310986	310537	359575	369931	172198	172477	121033	118518	254234	249182	294741	296917	193575	193519	459291	456321	483568	489393	336135	326014	444046	431502	437836	433462	332905	324915	307324	302727	186111	185283	256212	266999	181318	168495	312874	329015	277224	275133	405180	416611	378945	383169	255504	257755	264826	263791	189347	183453	275091	271311	201243	195259	371946	377162	363942	361713	184613	186863
13Z-octadecenoic acid	285516	292370	1798446	1853432	1845402	1811563	1509840	1566396	1353894	1350340	1698863	1813142	1509231	1483786	1928770	1941722	2011610	2083991	1501676	1433546	804502	798674	1123946	1108527	701295	719861	661421	649455	903643	880588	470908	507526	1572063	1501794	1528638	1544487	2009686	1933936	1478216	1421551	1886050	1992801	773342	783305	1211730	1158954	1486467	1510899	1345190	1451020	1447832	1393722	1099854	1116526	2045858	1997831	1493372	1509147	744300	724152	1306821	1265440	1546409	1597489	1193751	1214356	1087376	1036344	1354665	1415060	1225362	1273930	206715	192812	714427	723792	1329226	1334603	1221851	1233567	2116311	2100051	1434894	1392938	679226	654721	1941774	1980092	2490892	2552232	634736	643276	353496	344708	1016638	1022867	1249572	1239745	630329	620298	1519319	1549698	1436039	1468424	1800930	1819226	1826898	1825392	2513672	2434680	1109297	1075447	584868	584645	1062940	1002198	1443564	1412599	602823	585902	2083800	2182040	2264209	2176371	1839409	1857764	2020072	2103372	1288083	1275646	1005421	950192	461029	472444	1063161	1111913	1081592	1094034	1162300	1109668	1151280	1145293	657955	647504
566.0237@1.0721996	1	10121	1	12613	1	11689	10051	1	14448	12220	10749	11978	1	9749	12081	26922	1	1	10399	15902	1	1	10595	11746	1	9688	8788	14878	1	16030	8434	9738	1	17310	1	1	1	17358	1	1	1	14037	1	14045	12463	17274	11198	14952	11112	1	1	15285	9781	1	1	15623	9679	8738	1	12674	12807	1	15825	6552	17491	12644	11057	9434	12600	13427	1	12163	1	1	9304	11731	1	13196	13445	11186	12276	10699	10292	13009	1	8161	1	13402	1	7754	10810	5634	9053	1	1	1	1	1	1	1	6686	8521	11319	1	9690	1	12791	14627	9380	13154	10019	12964	12368	8920	1	1	1	11501	10307	1	1	1	1	1	13736	1	10753	8967	12647	12917	1	15446	7444	8947	1	16782	10845	11663	1	11607	9888	1	9859	10952
640.0419@1.0683075	1	1	1	11430	1	9064	1	1	1	1	1	1	1	10411	10699	20230	9026	13162	1	1	1	6832	1	1	6730	6605	1	5090	1	9650	1	1	1	1	1	3034	13244	10096	8511	8501	6795	1	1	3333	1	1	1	10953	11841	6946	8371	11617	11547	9652	1	11183	1	1	1	7367	1	1	12060	1	12035	8512	1	1	10123	3875	2270	8495	1	10035	1	8256	1	9827	12943	7868	7938	1	1	1	1	1	1	13002	1	1	1	7388	8683	1	1	7960	1	1	1	1	1	1	1	1	1	4737	7931	1	1	12339	1	1	7399	8674	1	9149	1	1	5001	1	1	9659	1	10280	16764	9098	8713	14242	1	1	9835	14780	1	1	12929	14784	1	16414	5240	1	1	8452	1	1
222.1614@1.0719923	16176	15751	22657	27499	28332	18791	20033	32965	33038	18696	29453	24695	26680	22346	29757	24790	21999	24781	21213	30474	30754	25067	28875	31203	19256	1	16583	22249	21307	25032	19568	18799	24550	31543	26082	31419	32537	31012	1	25319	1	38088	26292	28911	32415	26400	34689	26823	33924	26070	34361	27174	25705	24176	30238	32071	33861	25766	25475	22543	29313	27402	27817	30377	25300	37391	1	27818	27541	31551	34913	30672	15928	1	25043	32833	24974	32508	34774	22913	41236	36254	23438	32761	1	32003	42442	35004	33983	35275	18733	26854	16937	1	27126	24772	24546	1	22142	21196	36011	36009	25166	25309	34922	26642	29969	53790	33290	30857	36028	39597	34547	29031	27749	39023	36878	33117	28441	25775	35807	39368	33747	36760	30495	35445	31819	1	19996	27948	1	1	22441	35404	26138	24615	31422	24748	30543	25795	11689	9948	28197	22305
570.173@1.072375	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4033	3846	1	1	1	3205	3838	1	1	3538	1	1	1	1	1	1	1	1	1	3343	1	1	1	1	1	1	1	1	1	3247	3545	1	5516	4678	1	1	1	1	1	1	4675	4475	1	1	1	3634	1	1	3370	4068	1	1	1	1	1	1	1	1	1	1	1	2762	1	1	1	1	1	1
417.9869@1.0730233	1	1	1	6945	1	6980	1	1	1	1	10542	7941	6444	1	1	7917	9918	1	4540	5536	1	1	8018	9318	1	1	7704	12394	1	1	1	1	1	10510	5203	6855	9852	11368	1	1	9748	10998	6830	1	1	6709	1	9092	8879	9853	10249	13197	1	9483	9420	10615	1	1	6218	8411	10308	12204	1	9024	11164	9037	1	1	9500	10049	7582	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6013	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8539	1	1	1	1	1	8103	1	1	1	1	1	1	1	1
515.1729@1.0714579	1	1	1	1	1	1	1	1	1	1	6057	5426	1	1	1	1	9400	10337	5807	5318	1	1	1	1	1	1	1	1	1	1	1	1	1	7893	7055	1	1	1	4936	4389	1	5092	1	1	1	1	9917	10317	6717	6765	1	5033	1	1	1	1	1	1	1	1	1	4314	8627	7550	1	4263	1	1	5373	1	1	3765	1	1	1	1	1	1	1	3236	7196	6419	1	1	12463	15314	4041	1	1	1	1	1	1	1	1	1	1	3276	1	1	1	6185	5608	6353	10388	10405	18176	16934	16021	15917	1	1	1	1	4986	5689	13828	14753	1	1	5423	5847	1	1	13280	10775	10139	10583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C17 H14 Cl N10 O S	1	1	1	1	1	1	6421	71132	1	1	69028	69099	1	6584	10430	8648	8277	8208	7266	1	51171	1	10395	10259	1	41230	1	1	1	1	1	1	1	13441	14970	15165	98036	70702	9582	61958	15250	17071	68891	1	12025	12405	11565	9976	96755	10765	106044	13822	12408	96840	18704	18248	16116	15172	68272	68184	11097	11366	11668	12136	11070	40625	11790	12072	15330	13757	1	11148	1	1	78599	1	11118	11159	12071	13144	15400	15359	12038	12459	7766	9086	13962	13922	13806	15472	1	1	1	1	92079	15870	12282	10676	8306	1	14414	101104	45053	16336	15862	16465	11540	12212	10764	10506	91327	11808	9497	1	12089	11349	15014	14806	1	8201	16724	16564	19612	20744	18366	17366	17999	16820	11265	11392	9175	1	1	1	7323	7212	1	1	12776	13376	71685	10051	1	56042
580.4449@1.0784243	11411	11847	13860	1	19669	12596	1	1	1	14208	24420	19425	1	11147	22951	16255	17392	18503	27943	23403	6295	6517	1	7202	7241	1	1	1	1	5392	1	11043	9345	1	1	5973	9445	12318	9089	8546	12628	9662	7949	7364	9099	8317	9127	7699	7066	15980	1	18859	11032	10909	18892	14646	13391	13688	17003	20904	1	1	15881	6290	8836	7126	5699	5930	1	1	1	1	15067	11396	8349	8586	10307	1	8563	7167	10637	15118	11821	13487	1	1	10098	16339	14331	12051	27900	1	7906	19975	14106	16885	7862	5887	10515	10598	7469	8105	7817	7403	14537	13694	11148	9323	12126	13382	1	1	1	1	17368	29777	27047	22053	9033	7255	9650	11174	11079	10557	17086	16605	11532	11172	1	6306	16718	4814	14132	17553	15233	1	16789	1	13639	10287	13869	13570	17654	11954
308.1649@1.0712456	54446	55019	66439	63402	1	9978	1	1	11857	12537	13390	1	1	12067	1	1	5672	1	7549	1	29058	32524	1	10943	1	1	30190	23090	1	1	12310	12691	8159	8690	16578	24893	1	9959	11331	8810	11390	1	1	1	19566	24832	1	1	1	1	6577	1	1	1	1	1	1	9794	1	1	1	4267	1	4638	13516	13219	1	7413	1	1	5339	1	1	1	1	8177	1	1	865451	853729	1	1	1	1	1	1	12287	12262	16907	17062	1	1	1	1	7710	1	1	1	1	1	1	1	1	1	103112	104660	1	1	7972	11146	1	10605	5108	1	8348	7975	1	1	1	6479	14550	18021	10155	8244	1	6856	1	8129	1	1	1	1	7858	1	1	1	1	6893	1	1	1	1	1	1
496.143@1.0700247	1	1	1	8003	1	6716	1	7284	1	5505	6766	8011	1	1	8078	1	7038	1	1	1	1	5559	1	1	1	1	1	1	5987	1	1	1	1	7349	1	1	1	7860	1	7328	7319	1	4973	1	1	1	7999	6804	1	6971	1	1	1	1	8539	1	8232	7872	1	1	1	1	7121	1	1	1	6037	1	1	6403	1	1	1	1	1	1	1	1	1	1	1	8669	1	1	1	1	1	7963	9387	1	1	3966	1	1	1	1	1	1	1	1	1	8516	1	1	1	8523	1	6554	1	7699	1	6530	1	1	1	1	1	1	4916	1	8241	8742	1	1	1	8628	1	1	6400	6454	1	1	1	1	1	1	1	1	6323	1	1	1	1	1
NVP-BEZ235	1	1	23574	27905	30583	34741	23667	25891	15656	20822	36661	37824	21094	19371	40229	37547	37276	39115	1	22701	10604	1	16296	18584	10260	10807	10689	10165	15123	15034	7542	6579	28215	1	1	27099	1	26027	15846	19410	36559	36342	10431	11562	20993	16672	24833	23034	20157	20814	22824	23483	19069	1	1	1	26009	29180	1	9272	18611	19786	25920	24016	19413	22439	19836	14827	25320	23174	19661	19790	1	1	12877	11780	22803	22095	17214	19772	38787	40296	23947	22134	8694	8528	31668	39562	50854	53627	6342	6718	1	3626	14944	12550	1	22232	8782	8717	23898	1	24671	1	1	34558	33252	33696	50575	48811	14506	10768	1	1	14926	1	1	23871	1	7077	38109	37720	45172	1	1	36843	34980	1	18679	15968	13612	10674	1	1	12815	10945	10870	10374	16984	16254	17120	16975	6787	6604
416.2517@1.073	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
660.1243@1.0704135	1	1	5023	3249	5583	1	4286	5715	5382	7074	1	1	4886	1	7874	8908	13801	10873	4125	6197	3690	3191	5428	5782	1	1	1	4101	1	9884	1	1	7343	1	1	6194	6430	8031	6766	7291	6417	7974	1	5144	1	5842	5134	6088	1	1	5459	7099	6421	4987	1	10736	5860	1	1	1	6670	7791	9533	3982	13791	7273	6631	6399	3245	1	3238	10933	1	1	5217	1	1	10179	10183	8315	7159	4546	5100	6902	1	7423	6183	3925	1	1	1	1	1	1	4615	5458	1	7483	1	1	1	1	1	1	5676	5496	6666	6935	1	8301	1	3762	3384	4768	1	5318	1	1	1	1	4567	6416	6464	9306	8581	10666	5833	7063	5797	5975	5366	6235	1	1	1	6037	1	1	1	5634	1	5540	1	1
370.1813@1.0752779	1	1	8819	8280	8793	7979	9111	7069	7875	7762	9473	10045	10081	9074	29274	10529	10112	10205	6850	8106	1	1	3849	1	1	1	1	1	1	1	1	14885	7907	1	1	1	1	1	8887	1	5939	6025	1	1	8940	7177	6433	5830	1	6162	8940	7981	8684	10059	8470	13681	9087	8279	1	1	5489	5809	1	4812	9670	9775	6258	6639	7422	5341	4748	1	1	1	24448	1	1	27668	7514	1	7464	1	25142	1	1	10485	10884	10125	13063	13049	7173	6381	1	1	12409	9278	1	1	1	22444	7626	6573	1	12870	7298	8084	1	1	1	5476	6916	25843	1	1	1	1	1	1	27248	23895	1	1	7561	1	1	1	1	1	1	1	1	2879	1	1	1	5841	1	1	8018	7944	1	9109	7655	1
C25 H51 Cl N2	1	1	1	1	1	1	15742	13155	11137	13171	1	4522	9699	1	1	1	1	1	1	1	1	1	1	1	13017	13301	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12838	11212	7825	7325	1	8331	7665	1	8858	9147	1	7208	9599	7852	1	1	1	1	1	1	1	1	1	1	9194	10421	7527	5864	1	1	1	1	1	1	1	1	8886	7041	1	1	1	1	8111	1	1	1	1	1	9053	8826	18309	19643	13313	12726	1	1	1	1	1	1	1	1	1	1	1	5226	14530	11194	9250	9629	28446	22830	19024	20060	1	1	1	1	1	1	16642	15275	12617	10841	6172	1	10767	9139	10653	10881	12477	1	1	1	23272	18887	17305	15470	1	1	1	5577	1	1
461.1629@1.0724118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3692	3842	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5085	1	1	1	1	1	1	3927	1	1	1	1	1	1	1	1	1	1	1	1	1	3846	1	1	1	1	1	1	1	2937	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4516	1	1	1	1	3509	1	1	1	1	1	1	1	1	1	1	3513	1	1	1	1	1	3489	3676	1	2577	1	1	4396	1	1	1	1	1	1	2160	1	1	1	1	3228	3672	1	1	1	1	5401	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C30 H13 Cl N7 O	14050	1	22131	28845	23892	31066	17676	24480	26451	43502	34933	28877	27981	29686	40867	55138	29087	30185	27580	37021	18163	26842	25996	28345	26062	26689	23748	35636	20962	41575	19962	1	36001	39542	25586	30716	28180	42066	30127	42327	30311	30420	27432	32743	33742	33545	24419	37995	29565	25407	26591	35312	44497	31038	28666	40781	23961	26152	23495	29391	29037	30555	38563	30891	45156	33562	26810	28916	26528	34158	23369	40389	18607	26066	18107	24856	22653	44288	51796	30837	29324	34781	26822	34180	22351	1	19214	24891	19304	24195	24244	24242	23525	24631	27376	33219	23579	39479	22548	24470	1	19395	22120	30654	22384	25452	32166	39910	21704	37830	21396	28986	29187	28659	28052	32336	17125	24604	1	30647	25935	33918	27796	41107	39424	43771	27826	39580	32833	32860	32255	36792	21027	25215	27992	39766	23057	30085	23073	26812	25455	31997	24247	27256
298.1595@1.0827184	1	1	8755	5319	6562	8501	1	1	1	1	12523	9684	8668	16890	11877	13444	10382	1	1	1	1	10280	1	1	1	1	1	1	1	1	8205	1	1	7281	1	1	7368	9770	1	1	1	11542	1	1	12327	12224	1	1	1	10200	1	11575	1	1	16894	17748	11634	10819	9383	1	1	5376	10068	8103	1	7807	1	7104	10339	16582	9519	1	1	13432	8960	8517	8341	1	8019	1	19503	12019	1	1	9286	1	13272	1	19350	16596	1	14748	11415	1	1	1	1	1	9378	1	8421	10614	1	1	8982	10588	14983	1	12195	12562	1	1	1	8156	17626	1	1	1	1	1	9665	11060	12573	16169	15748	12108	9620	8156	1	1	1	1	12192	9602	1	1	1	1	1	7997	14422	5169	1	12856
218.0216@1.0704	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7136	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7826	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4363	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5370	1	1	1	11895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
250.1555@1.0717639	1	1	1	1	10347	1	8779	5558	9702	1	1	1	8560	1	9315	10360	1	1	3922	1	1	1	1	5298	3633	7206	1	7786	1	1	1	1	11592	6060	9452	1	10348	1	1	1	1	1	1	5280	6176	1	1	8379	1	7044	8789	1	1	1	6620	19849	12468	1	5287	1	1	1	1	10931	8305	8161	1	1	5933	6934	1	1	5961	5170	9500	1	1	5225	1	1	13347	6124	1	1	1	1	11944	6661	12006	10696	3879	1	1	1	4649	4945	1	16538	5630	5628	6510	19396	1	10994	3673	17634	6418	12492	6949	6335	1	1	1	1	6848	10644	17970	9476	1	1	7294	1	14483	9132	10867	14778	7904	1	4467	1	1	1	1	1	1	1	1	1	14883	8179	7548	6368	5125	4975
481.1885@1.0729139	1	1	4193	4741	1	4842	1	3324	1	1	6403	6433	1	1	5317	6320	6191	5583	1	1	2781	1	1	1	1	1	1	1	1	1	1	1	4988	6221	5339	5807	1	4130	4149	1	6301	7813	1	1	3068	4713	1	10080	1	10176	10103	4584	1	3433	7801	8200	5580	5420	1	1	1	1	1	1	1	1	2903	1	1	12151	1	1	1	1	1	1	1	1	1	8111	5879	19770	1	3347	1	1	6796	6167	5985	8457	1	1	1	1	3513	3916	1	4130	1	1	5633	1	4938	5398	1	5292	4896	1	1	21945	1	1	1	1	1	1	1	4871	1	1	7109	15865	6587	7554	7647	8042	6979	8989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
246.9544@1.0741273	1	1	173620	164027	176720	166932	160869	259729	161280	107229	196370	206437	170575	190713	183068	199217	193313	230152	178869	172317	159455	1	171003	165298	1	1	1	133590	1	114781	1	1	174015	203174	1	194718	163850	257170	118629	141761	1	213386	1	146350	1	187513	167528	176858	179348	185967	1	163955	1	142995	192287	1	1	181368	1	133442	166170	1	266624	160595	1	160398	1	153280	191943	189164	141740	1	1	1	1	1	170085	161990	178666	172578	307447	333304	182503	170054	1	1	207849	193052	214149	207248	1	112724	1	86841	1	1	1	1	1	91891	167632	182910	188240	187161	1	297807	186084	1	210971	203252	1	300248	1	1	160320	281886	205263	174603	1	1	197698	1	210874	197990	327918	211236	304328	210634	161128	1	254375	1	116494	1	1	231421	1	130180	1	270493	154715	1	148266	136675
312.1751@1.0800349	24173	26068	34208	42381	26008	22228	50794	38606	36649	1	29772	29823	1	21757	33753	30762	30096	31268	18974	20128	15663	40357	1	13292	1	35661	36132	31567	31413	22397	13478	1	28034	29518	27531	30412	34684	37821	1	26301	50539	1	36978	1	17240	1	18266	21168	25054	27758	29280	33208	1	20383	42700	40258	31465	21830	1	14042	1	18761	32542	1	17886	1	1	1	24182	1	36065	1	36268	29153	1	28659	1	25385	1	1	31917	32731	43706	26142	28313	15204	52969	41868	74821	68453	22485	22682	26817	31857	35992	34308	25046	29488	1	1	45633	49408	23900	25807	38501	39966	49573	41829	51970	49975	34455	1	35941	24874	48203	1	55400	52469	35512	37369	56549	53187	37533	62792	31256	37836	46112	38895	1	1	1	35316	1	36301	34526	35443	1	1	40700	39688	47411	22525	43872	46322
645.4171@1.0709343	1	1	14933	13257	16263	1	1	1	1	1	18338	18968	9289	9527	18889	1	12059	1	12876	13377	1	3853	1	1	1	1	1	1	5412	1	1	1	1	13162	1	13605	18912	1	5484	1	1	1	1	1	1	5455	1	12732	1	4388	1	9922	4915	1	1	32446	1	12931	1	1	1	1	1	1	11802	10200	1	1	1	1	9780	1	1	1	1	5780	1	10074	1	9827	1	1	1	1	1	4588	32030	1	1	1	1	1	1	1	1	1	1	1	1	1	13287	1	1	1	17944	18436	1	13459	34107	36849	1	1	1	1	1	1	1	11789	1	1	21848	21002	1	1	1	1	1	22214	1	4736	5861	1	1	1	1	1	1	1	1	1	8221	4537	1	1
482.4283@1.0751284	1	1	1	1	8272	9489	6831	1	1	7628	1	1	9257	1	1	1	1	8480	5964	1	1	1	3863	1	1	4600	1	1	1	1	1	4960	1	4091	1	1	1	1	1	1	1	1	1	1	1	1	13525	1	7608	1	1	1	10434	1	1	1	1	1	1	1	1	1	3286	1	8165	1	5939	1	1	1	1	1	6490	1	6014	1	1	1	1	1	5458	6235	4217	1	1	1	7838	8199	10665	9449	1	1	1	1	1	1	6678	1	55845	62477	1	1	1	1	1	5180	22602	92696	22085	18322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6329	7303	1	1	1	1	3754	1	4978	3320	1	1
Asp Glu His	1	1	11237	11277	12939	12506	11626	12751	8338	8298	14451	13810	9819	8996	13247	11540	12763	11917	12077	11685	11563	12180	13043	12458	1	1	7140	7520	9553	8595	7659	1	14985	13868	17659	17209	13207	15484	13533	12092	18560	18664	11928	11347	14317	12887	12129	13519	11840	11396	16935	16439	13527	14730	20775	19335	17736	17944	11283	1	12674	13835	15084	15293	11247	11763	12893	13228	18946	18686	13717	15427	1	1	15173	13017	11845	13444	13155	15095	16702	16776	14704	13096	8773	10125	15989	15283	16310	17071	6314	7065	1	1	14017	14115	14114	12985	8658	8874	17730	16294	1	19604	18166	17219	11678	11141	11895	10306	10545	9727	8664	1	9859	10646	15827	15091	10047	1	17830	19546	19893	21429	20003	19311	20175	20865	11316	12787	10963	9014	7110	5943	7958	7796	1	6214	13063	15112	10225	10211	8614	1
525.0839@1.0725262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3790	5156	1	1	1	1	1	1	1	1	1	1	1	4253	1	1	1	1	3774	4555	1	3822	3265	1	1	1	1	3139	1	1	1	3745	1	3789	1	3415	1	4738	1	3795	1	4674	2616	1	1	2824	1	1	5156	1	4550	1	1	1	1	3311	1	1	1	3734	1	1	1	5728	6179	1	1	1	2810	4294	2925	1	1	1	1	1	1	1	1	1	3584	1	1	1	1	1	1	1	1	1	1	1	1	5283	1	5161	1	1	1	1	1	4944	1	1	1	1	1	4391	1	5385	1	5168	1	1	3350	4429	1	1	1	1	3019	3732	1	1	1	3034	1	3569	1	1
260.9697@1.0731237	1	1	22263	22785	26287	1	27203	29515	31477	22203	26688	27785	24823	23947	24868	28467	30160	28921	1	26741	1	22512	26021	22008	18671	16888	18076	20493	20426	20278	1	23361	25146	26989	24338	29309	23433	23227	22165	25419	30028	25371	1	16995	1	23723	26985	26674	24316	20478	22891	34776	21282	21817	32637	30879	13357	24051	1	22023	21901	1	24099	22812	21958	22869	22748	22241	26504	24424	25126	22409	1	1	24942	26314	25205	26211	21988	25895	30981	28265	23489	22960	21020	21991	1	35207	1	28039	17049	18406	1	16933	21963	23660	26941	1	20880	16665	22352	28452	29317	25813	25770	24522	31528	24801	27734	31557	29324	1	14308	18250	1	22842	23565	28922	15102	1	25943	26261	26747	1	35406	36277	1	26769	1	16738	18903	21271	1	14088	25232	16151	19201	16647	22735	25481	19722	18617	1	20563
538.4931@1.0727311	1	1	9953	8847	8107	9877	6619	7304	8940	8459	12035	11974	11727	11105	13529	14799	12899	11629	8866	7231	5031	1	4498	1	5172	1	2831	1	1	1	1	1	7179	7617	1	1	7319	7613	5420	5836	7773	7621	1	1	5789	1	6070	6359	1	4690	1	1	5335	1	8719	8588	6096	5260	5103	4885	1	4541	5173	1	8883	1	4377	5113	3582	5554	1	1	1	1	1	1	5193	5466	1	4514	7403	8997	5538	5118	1	1	7684	7564	9490	7990	1	1	1	1	4573	4693	1	4769	1	1	5410	1	1	5019	6318	6476	6086	1	8749	7503	1	1	1	1	1	1	1	4423	1	1	6002	6133	6661	1	1	1	7065	6175	1	1	1	1	1	1	1	5361	5088	4765	5861	5105	1	5557	1	4528
368.288@1.074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
375.1376@1.0714122	1	1	1	7175	8635	8239	1	1	1	7776	11230	10862	1	7678	9378	9099	1	11950	11229	1	8176	8516	1	9707	6365	1	5347	1	5258	5098	1	1	10769	1	9828	11460	1	1	1	1	11377	10499	8005	7549	1	8350	1	1	7400	9329	10209	12133	9545	10823	12367	10016	9847	10046	6952	1	9911	9819	10166	10104	9221	6780	10318	9127	1	1	7387	8995	1	1	6972	7228	10976	11972	1	1	12581	12835	6192	10294	8755	8714	11066	12061	1	13225	1	1	1	1	1	8252	9508	9178	5301	7696	1	1	12608	12735	12252	12258	12224	12840	1	11645	1	6438	5206	1	8017	1	10874	1	1	1	11632	10745	1	10159	10640	1	9114	10988	1	7552	5693	8574	1	1	8517	1	5911	7010	11090	14648	10000	1	7811	1
Neoabietic acid	15973	17542	22448	22216	29864	28009	23437	22028	16338	17972	31720	34884	16151	19121	28931	29179	87124	72606	54698	52679	14661	15367	65174	62323	47116	47159	24427	24444	30884	30607	16036	16477	134738	132152	84181	83960	130815	137040	88697	87669	58806	60892	34980	35785	42252	41113	163455	163152	144919	140901	49391	52845	52906	55740	43273	44157	25941	28077	25602	25152	103170	99199	74979	73278	37943	40567	40328	39607	84951	72481	98356	95948	25617	19921	21669	17793	47605	47498	54962	53837	49501	51345	43970	43433	272986	271277	30684	26478	32459	31669	55109	52970	49514	53321	18197	16940	45942	48368	41900	41825	67150	63324	69508	70692	70987	65609	150010	145530	112927	112602	28037	28669	26979	26311	77114	73470	105115	105043	15904	14565	29959	33588	27866	30816	123509	129738	136523	138164	18144	17992	19870	18659	12906	14257	97389	97515	66213	68383	41196	38182	39572	40373	25691	26912
1220.562@1.0722759	1	1	1	1	1	1	1	1	1	1	1	1	3033	3815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4480	4337	3276	4198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4194	1	1	1	1	7250	8417	1	1	1	1	6621	7389	1	1	1	1	4960	5227	3566	1	1	1	1	1	1	1	1	1	4494	3797	5447	4841	1	1	1	3089	1	1	6612	5932	1	1	1	1	1	1	1	1	1	1	6435	5868	1	3063	1	1	1	1	1	1	10957	10451	5735	5350	1	2950
443.1718@1.0731478	1	1	4924	6124	1	5114	1	1	4621	1	6705	6159	1	3764	5182	7004	8240	8359	6492	1	1	1	1	4371	1	1	1	1	1	1	1	1	8054	1	6145	1	1	6699	1	1	6397	7891	1	1	1	1	5159	5159	1	1	6222	5967	1	1	6838	6947	6821	5196	1	1	1	4814	1	5408	6055	1	1	4153	1	1	1	1	1	1	1	1	1	1	4805	1	8634	6707	5462	6104	1	1	6664	7035	10062	8310	1	1	1	1	1	3964	4321	1	1	1	5816	5677	6431	6883	7539	6595	1	6376	1	6593	3526	1	1	1	1	1	7139	5251	1	1	5633	7007	7041	1	1	6578	1	1	1	1	1	1	1	1	2990	1	1	1	6998	5177	5113	4784	1	1
562.4931@1.0735195	1	1	1	63404	1	1	76581	1	1	1	93300	1	1	1	1	1	100932	1	1	1	1	1	1	1	1	1	1	12871	1	1	26761	1	1	90489	1	1	36535	1	1	1	1	1	1	1	1	1	1	34114	1	27217	1	1	49768	53399	56246	53269	39240	1	1	121129	29610	28809	27941	30268	1	1	1	40919	1	21054	34054	20740	1	1	28829	1	1	1	1	1	34045	1	40446	57372	1	1	1	1	1	1	1	1	1	28574	50377	50330	28425	27646	1	1	25160	25013	23002	1	48090	44451	1	1	42904	41719	1	49685	1	1	1	1	1	1	1	1	1	40525	43832	68934	1	1	69743	1	1	1	1	33174	41238	43131	1	1	1	1	33668	45882	55877	39427	1	1
202.9644@1.0753788	1	1	35489	1	24139	24613	22326	20000	25771	30673	27097	1	24626	18742	26591	26307	24273	1	1	25340	1	1	25293	1	1	14421	17157	19080	1	24083	1	1	1	25299	1	29139	1	1	1	1	27788	26530	25991	1	1	21024	30438	1	1	28980	1	21779	24449	1	1	27188	1	28471	1	1	1	22555	24985	25430	21932	1	1	24215	17042	16922	1	22974	1	1	1	1	1	23345	1	23135	1	1	23835	1	1	1	1	24740	34320	28431	1	1	1	1	1	21725	24972	1	1	1	1	1	26744	1	1	17254	36963	24338	1	29365	1	1	1	1	25126	23401	23728	1	1	1	1	26071	40431	43373	34073	1	32525	26002	1	1	1	1	1	1	20906	1	1	1	35736	24172	1	1	16984	17086
268.239@1.0786006	14614	4335	36281	9375	35101	32293	25639	6932	23513	22621	35039	9721	1	7204	10518	53108	39106	14864	29767	31813	1	15242	22095	17337	1	1	1	5024	1	1	7556	29242	28952	22450	21159	1	22241	9791	20936	1	28586	27916	10504	10529	6185	1	21831	8122	8247	16759	23766	20198	18556	41912	37069	37478	25515	25688	20269	12727	1	1	18369	19169	18563	16062	16372	6835	12897	13693	7156	15560	1	1	8973	1	19537	17236	17196	16724	13216	13772	20725	9771	15783	10830	25773	22784	13488	14529	1	1	1	5000	1	1	8859	16211	1	8300	16078	18082	18201	9604	28618	28029	30623	38016	30303	13410	14736	1	9335	1	1	11972	13771	20330	1	10535	20297	8381	8218	24554	10251	23842	23960	9682	1	1	1	6725	15581	13278	1	16184	5355	15278	10861	20386	8408	23176	1	1
237.1108@1.0811856	1	9768	19500	20860	24242	24499	8386	19932	17251	1	26317	10320	19357	30519	23182	22695	24250	17933	1	23459	1	23330	15437	16186	1	1	1	14160	16898	1	15371	16018	25657	21746	16979	1	15861	18415	19236	27527	1	24495	1	15106	22636	29808	19776	32720	19432	29618	29122	22896	1	11970	29901	9977	25002	14187	1	17979	10189	26521	32130	24126	17742	20822	11622	32811	31673	20291	14940	31259	12688	1	1	20326	14951	18402	16577	1	1	33464	31234	30637	19356	1	12827	25717	24010	11530	1	1	1	1	30843	1	29337	30355	13602	13708	12384	14390	21038	29783	34052	22643	16928	23158	28521	33036	28762	1	16985	14534	14574	1	21900	26128	1	1	26057	14458	35628	26809	33464	11329	35001	21242	19646	19535	1	19494	18801	30173	16881	14582	16502	11177	19588	1	24685	1	1	10221
282.1419@1.0901538	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10316	10931	1	1	1	1	1	1	1	1	1	1	1	1	1	4615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10921	9839	5995	6921	5289	1	1	1	1	1	1	1	1	1	5858	1	1	1	1	1	7672	1	1	1	12437	8356	1	1	1	1	1	1	1	1	1	7481	1	1
YM-201636	1	1	11089	10568	1	1	8023	9815	6703	6408	14323	16768	8997	7285	15059	14475	17172	15994	11799	12064	6653	5858	8075	7474	1	4863	4457	3951	4553	4348	1	1	12534	12593	12156	12207	10195	10402	8192	7605	17516	17864	5314	5878	9075	9107	9670	9108	6511	1	11350	9402	1	1	1	1	12239	11754	5294	1	9111	7607	1	9624	1	1	7206	6944	1	11115	8268	8331	1	1	1	1	7538	8100	7523	7388	16552	14749	8943	9002	5284	5791	1	14773	17212	1	1	1	1	1	9425	8273	8595	8320	1	4484	12877	1	13983	15889	13554	14051	11017	8937	12581	12016	5685	1	3292	4032	6802	7620	10102	10838	3814	1	15740	15061	17779	21072	20023	18360	19828	1	6880	7128	5491	4405	3706	1	1	4479	1	4652	7665	7034	7051	6094	5533	4528
480.413@1.0735769	12755	1	21776	27694	19831	20292	17139	20365	23806	18102	1	13927	1	36161	36135	39564	25333	20822	12794	12804	1	1	1	1	1	1	1	1	1	1	10260	10668	19772	1	1	1	1	1	1	1	1	1	1	1	1	1	17555	1	1	1	1	1	1	1	18632	20248	11924	12043	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10165	1	1	1	11482	1	10741	12603	1	1	1	1	21961	21894	22941	1	1	1	1	5456	1	18460	10222	1	1	1	1	1	1	1	1	1	28423	28515	32703	27982	1	1	1	1	1	1	1	1	1	12614	19910	20853	1	16254	1	1	1	1	1	1	21854	1	13086	9615	10375	11238	1	1	13394	19046	15317	1	14341	1
327.0374@1.0724722	1	1	1	1	1	4534	1	1	7314	1	5978	1	1	1	1	1	1	1	1	1	1	1	1	1	6823	5459	1	9451	1	1	1	1	1	1	5294	1	5558	1	1	1	5894	10054	1	7748	1	11479	1	1	1	4516	1	1	1	1	17070	8642	1	7455	1	1	1	1	1	1	4163	1	9821	9493	1	1	1	1	1	1	1	1	1	5439	1	1	1	1	1	5225	1	1	1	1	1	1	1	1	1	1	1	1	1	7325	1	1	7564	1	1	1	1	1	1	6978	1	6988	1	1	1	1	1	1	1	1	7539	7661	1	1	1	10702	6305	1	9116	1	1	1	13463	11783	1	13463	5601	1	7196	1	1	1	1	3751	1	1
334.1606@1.0746666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35113	1	1	1	1	1	1	1	1	1	1	1	1	98617	1	1	96515	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
628.4454@1.0884167	1	1	1	1	5778	1	1	8199	1	1	1	1	1	4077	1	1	1	1	9172	1	1	1	1	1	1	1	1	1	1	1	1	1	9873	9244	1	1	1	1	1	1	1	1	1	1	1	1	9300	6386	9597	6462	1	12527	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8010	1	1	7112	10132	4913	1	1	1	1	15880	13108	1	6217	1	1	1	1	1	1	1	10074	1	1	1	1	1	1	1	1	9404	1	4636	4920	1	1	1	1	6101	1
372.0721@1.0737212	40414	44550	62614	52142	76960	77813	59469	75982	67120	81877	99185	83982	64098	59066	89907	123648	60587	92237	70529	63652	51516	64893	49768	75494	73133	79574	55497	76420	52340	84988	50514	58541	86360	77952	54634	73688	55004	93025	66760	87315	68826	84767	56395	66639	61517	67582	66343	85280	91101	78924	64053	91235	89727	69481	58488	81726	69570	57315	58863	79283	63791	72706	83398	59034	94642	84612	70861	69445	76466	74955	45958	94625	52548	60976	62161	71212	43543	116072	101996	76477	76077	80036	53621	71857	48608	79768	64812	84029	62765	71788	57669	62975	55374	63072	68008	67656	65548	73429	45640	59452	36926	39460	52535	58074	66799	68522	82141	98591	74678	105206	51464	64358	73133	72234	58575	75858	46509	49434	59028	77018	73494	65035	70879	77183	90597	105373	56479	71804	70775	83401	75412	87179	55732	60083	66891	74875	45400	64237	45858	75307	47307	52218	54893	70674
6E,9E-octadecadienoic acid	632622	258553	875303	838857	1421821	1434190	1027148	1106726	965350	940919	1033964	1006285	1464118	1476962	1119415	1092436	1075810	1685683	1234820	802119	716678	773247	975536	917588	733402	738069	298541	307150	394907	378996	324014	546037	979441	1333398	893958	911733	954390	1250810	992607	1010302	1538973	1509806	739766	734645	1170984	1219846	918139	843764	782894	618323	1086146	1071083	663892	725314	1264528	1316732	911078	1218086	616975	616003	803247	781852	893164	885668	869595	891154	835462	764115	881231	829244	773564	760122	210447	217674	551031	529564	913493	896447	845938	833181	1216078	1256753	776164	770269	498611	491510	1222368	1208976	1648830	1717707	340297	358943	220087	217888	915926	929872	670423	674312	378205	363305	1107223	1093179	1059261	1091344	974852	973596	992325	972998	792687	1016511	1049801	949661	722550	703152	668113	646846	948092	932851	587236	622683	1468374	1371760	1450408	1443500	1305376	1316416	1649018	1408403	842256	827339	659429	486533	362275	362349	786184	746997	377346	755033	663101	669963	589761	859487	919711	955923
701.9925@1.072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4363	1	1	1	3751	1	1	3995	1	1	3322	1	1	1	1	4846	1	1	4355	1	4211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3762	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2799	1	4761	1	1	1	1	1	1	1	1	1	1	1	1	1	5158	1	1	2979	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
294.1828@1.08198	25550	43764	68699	63998	80443	72261	34435	56678	55787	52446	70845	75812	61218	76802	26218	1	1	1	27707	70691	58558	30868	63635	30433	51189	71454	45133	58662	1	10562	31046	67576	1	1	82760	42009	78375	56590	32290	53639	85851	76595	50879	27977	56015	83009	1	106230	1	103133	30140	1	59992	62221	99586	105266	74865	90191	1	1	1	1	65172	69928	78506	1	25658	65471	77366	94203	33901	56790	37379	28666	59980	58813	1	93260	1	63768	79189	29202	69220	32731	11794	1	71846	99559	85658	1	1	27082	28766	44630	1	1	1	66140	33155	1	1	131430	1	30747	1	1	1	28092	92242	77415	1	1	45433	39880	67729	1	34451	85447	28274	29393	30842	1	113068	85428	102650	1	35214	101000	1	1	1	1	39615	76543	1	1	1	27648	28978	1	1	80996	78895	1
454.3971@1.0756239	8776	11387	18294	19858	18339	17279	16823	15471	21416	19744	12974	1	24372	24856	23647	26733	16679	15748	13479	13406	1	1	12138	11099	13156	11573	5175	1	1	1	14894	15694	14282	14162	10822	10197	9712	11497	10080	1	1	17022	8269	10809	26050	25765	16609	16428	12882	1	16339	15895	17472	19226	20892	21188	1	14926	16685	16930	1	1	8446	11530	11591	10980	9330	10809	1	7022	5180	7694	1	16441	13110	11260	12526	15281	10264	10020	13829	14489	12725	11861	10805	10235	16076	17610	20905	21438	14356	11645	8234	7457	18519	17104	1	10114	8704	6213	1	9560	1	8630	18827	15260	25491	28694	24957	27056	22228	19560	18210	1	1	7817	8850	7614	11345	11614	17290	1	1	1	11635	9165	1	1	11051	8728	7905	1	11644	10143	16173	13853	12994	12481	14213	12249	1	1	11998	11100
506.4306@1.0752581	41099	42567	52934	54190	46431	1	35281	34569	39440	42765	36502	37521	80640	77820	97102	93856	45721	50614	34533	1	1	1	26620	26689	1	21495	12847	12163	13019	12708	21690	1	62277	63287	50831	50167	22832	22780	19438	20305	36939	36420	1	1	60332	57159	33370	31302	27016	27135	30609	1	1	31006	37727	42286	1	1	116554	114163	25596	24588	26312	27782	1	1	25531	25444	17338	17008	15241	14485	28885	28945	23097	22238	24154	26039	20389	20238	1	28862	29161	25189	24333	24226	38822	40903	48906	1	1	1	1	12411	43708	1	24559	25241	17205	1	1	16089	1	1	50213	52475	45969	44014	51788	51863	41345	38658	30500	31560	24582	1	1	1	27111	25267	39759	42116	33538	27205	44095	42669	49144	49742	18751	19651	16046	1	29391	1	23329	24997	25323	22537	1	29885	1	32614	1	35728
C27 H58 N8 O4	295282	310802	764090	659785	437651	448114	1	1	3748	1	750669	887394	468457	477584	1634784	1614541	687359	543129	361590	378848	143970	147022	217852	222155	1	264003	83833	49352	47435	48939	257963	193621	487886	265645	333020	333634	416928	325529	187973	186486	293379	292835	220410	229508	300207	299750	214839	1	156081	207118	284618	275540	465769	461662	569343	575445	387812	293296	839563	691121	133032	144312	158627	156471	200101	205096	170374	173947	74069	68113	91368	90493	385573	389744	1	1	235149	237745	241312	244769	208549	203312	560052	547716	67257	1	279524	278131	498487	504044	286968	278159	306212	260183	834983	842578	244946	243215	130318	190884	172469	169987	213410	250303	366041	363858	1	1	455128	353407	350686	353504	245003	243660	1047934	1155719	845775	875140	228040	223881	272278	278036	257982	260469	521998	524089	269688	423421	173051	178458	160424	218864	436675	431792	1	1	350075	185901	511256	536724	547184	413642	486352	481201
368.1644@1.0249366	12670	11755	4380	1	7508	1	1	49860	1	1	4866	6430	1	1	5809	1	4178	4342	2484	1	11393	1	3413	1	1	1	1	1	1	11841	1	26518	1	3686	4498	1	4180	1	1	1	3647	1	1	1	1	1	1	1	1	1	10287	1	10468	1	5315	1	1	1	1	1	1	1	2652	1	1	4168	1	1	1	1	1	5666	1	4500	11540	1	6174	14687	1	11355	4385	1	3722	1	1	1	16865	7771	19074	12042	1	8892	1	1	4137	1	3245	258284	1	1	1	5136	8650	4711	6513	6278	4626	5987	4266	4031	1	10794	1	1	1	4707	1	1	12240	1	16214	1	22987	1	10120	10775	1	5115	3222	1	5508	1	1	1	20244	21498	1	1	1	1	1	13217	5358	1
579.3372@1.0734545	1	1	1	1	5844	1	4183	5335	5933	1	1	1	1	5461	1	1	1	1	1	1	1	1	7481	1	4856	1	1	5442	1	1	1	1	6274	5686	1	1	9083	1	1	6419	8122	8570	1	1	1	6816	5204	5662	6277	5056	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4155	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5604	1	1	3662	4157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9021	8838	1	8831	1	1	4948	1	1	1	1	1	1	1	9038	8214	1	5156	1	1	6173	10554	1	12121	1	1	1	1	1	1	1	1	1	1	1	1	1	1
699.3914@1.0780003	1	10179	13155	13568	1	17009	1	1	1	8522	1	14145	14225	13797	26770	29158	12965	11864	10395	9710	4569	5004	7391	1	1	6542	1	1	1	1	4214	1	1	8373	7492	6308	1	12578	1	1	8923	9380	1	7109	8099	6302	6987	7140	3859	1	9456	9190	13786	1	11434	14497	9480	1	16440	17053	5452	1	4356	1	1	9028	6277	5904	1	1	1	1	14648	13098	4697	4757	7555	7159	6391	1	8509	4735	1	14311	1	1	7997	7239	13564	13295	1	1	9115	1	16435	17151	1	1	1	1	1	2835	3592	5480	1	7327	1	6097	6141	8707	10634	10243	1	1	19892	17787	17066	18017	9621	1	7937	1	1	1	10872	7837	7908	1	4699	6228	1	1	9415	9576	1	1	1	1	1	1	11488	1	11869	12296
586.3431@1.0780114	5209	5265	9725	10061	12443	17699	8638	6703	6742	1	1	9015	10977	13390	10270	8272	1	10831	1	9954	5982	4753	8078	7298	1	5008	1	1	1	1	1	1	1	15181	9052	8130	1	13641	11002	12463	1	1	8518	1	10780	10673	7954	8313	1	1	1	1	1	7330	8654	6482	8297	6196	13287	14310	11385	10662	8547	8501	4060	1	1	1	6372	7766	6954	5783	1	1	1	1	7478	1	1	1	1	6450	1	9620	1	9949	7524	6929	1	9454	1	1	1	1	17136	12910	6821	7155	1	1	1	8676	5827	6540	6380	5980	7203	7830	9688	9474	10580	9830	9801	7526	10213	11860	10941	9974	1	9398	10611	5358	3577	1	10664	12610	12187	1	1	1	7216	5414	1	1	5743	7105	1	6075	11690	1	1	15707	10779	1
672.1309@1.0733016	1	1	9383	8127	7547	7831	11686	13131	1	1	9569	9508	1	1	8139	7856	23276	22648	1	1	7776	7671	7886	8784	4065	3641	1	7038	10032	9250	1	4504	10991	9884	6720	6525	4041	4631	16549	15141	1	10551	1	1	7278	7265	1	1	4296	1	11799	12538	1	1	12447	12356	11796	10385	1	1	14029	13901	16270	15688	16007	15721	13618	16376	15395	16706	11795	11376	1	1	11623	9395	15782	15778	11923	11322	14446	13201	8654	8614	8396	7121	10531	10707	16282	15465	7211	6966	5089	5516	6848	6414	7745	7592	10899	11006	17824	19836	7763	8042	12397	13805	5024	1	10229	11554	1	4871	1	5287	1	1	7679	7857	7084	7214	1	3896	15158	15639	15998	15919	1	1	7260	6416	3879	1	1	1	3460	3639	10180	9420	10408	9392	1	3178	1	5007
C34 H56 S	133846	148526	174329	155612	146684	174914	239520	240448	270590	245547	141201	126217	320699	301597	304088	316457	173672	178098	150835	146782	134215	105748	214559	226513	220739	226232	120927	117244	109636	107057	116531	89854	1	1	217735	213273	198849	204673	148383	156582	331765	369257	201639	218916	299500	291770	281660	285545	301437	271075	263947	270213	249856	270822	232803	232375	141763	142439	169869	168164	196292	182818	235524	228109	315398	320834	290452	297525	58267	45152	55284	59940	143188	116518	84283	86805	197928	199731	124772	155554	214065	211907	197154	1	54824	60653	250193	264913	338957	326829	321478	307543	195721	212520	303846	276381	126359	126385	107810	101925	139451	136865	139695	140683	187227	185614	466370	531525	472687	463508	560953	520391	435389	481718	136460	135129	114373	88853	127202	157373	455644	469908	311391	340305	217451	205808	281336	289949	271362	241681	209728	209078	93919	69731	812536	778647	699260	719737	178997	177713	211276	200526	155196	188632
534.4615@1.0755429	1	1	29141	38581	1	25682	1	22135	19965	1	23970	1	1	1	61721	1	25559	36828	17897	19227	1	1	14316	14568	20106	20674	6217	1	1	8616	1	1	1	35161	1	33288	1	1	9178	1	15066	15422	1	1	30417	37360	1	20346	16412	11703	16677	14505	17398	26465	1	1	13585	1	62149	54955	14585	14984	11031	10634	1	16655	1	15618	1	7687	9852	1	1	19270	1	11247	13469	1	1	11222	1	1	1	1	9487	8191	14987	17415	1	28525	1	13210	1	1	21852	21156	19971	10950	10398	1	8507	7068	1	1	19422	19545	1	1	19210	24802	1	22122	1	1	1	1	1	1	1	1	1	1	21670	14371	27703	18415	19826	25722	14120	15170	11891	1	1	1	20150	15379	22890	16212	1	14759	28243	1	23906	23394
8-Prenylafzelechin 5-methyl ether	53014	56776	242815	240270	256957	257062	219349	207553	179773	171493	252812	249726	1	152988	196141	184706	260177	258657	178600	187942	129698	126202	142620	139466	91221	92098	77649	71778	95761	94774	79948	76294	133036	135408	154053	156264	181347	173830	154830	168115	191737	183940	1	112986	128398	118110	133771	134121	113517	120153	169822	159131	150370	1	180682	185533	139936	144346	79306	79948	123025	122323	134343	129709	110713	113829	123396	119565	124604	123085	110877	108999	37232	39761	85859	82600	141297	144847	136572	138546	171386	181407	136650	129786	110431	107058	172814	1	198106	203613	72631	70949	43872	45774	110730	1	122235	123295	69770	70095	153198	149179	148735	153737	165532	169354	154285	149481	169266	163912	103961	102920	63916	65514	1	93219	1	1	72177	1	132800	142470	148353	146819	132375	140622	128096	137948	1	1	1	1	1	44696	100776	93882	76704	1	143368	162428	133929	131683	85913	87969
576.0761@1.07451	1	1	1	1	1	1	1	1	1	7418	1	1	1	1	1	1	1	1	1	1	1	5609	6743	1	1	1	1	8298	5791	8840	1	1	1	1	1	7096	1	1	1	8387	1	1	6099	1	1	1	1	1	7342	1	1	1	10269	1	1	9851	1	1	1	6676	7476	1	8720	8914	17296	8124	1	8057	6839	9420	1	8962	1	1	1	7238	1	10936	20161	9149	8534	8157	1	1	5147	10588	1	7123	1	1	1	1	6887	1	1	1	6110	13048	5783	1	1	5580	5858	7680	1	1	9416	9640	6057	9492	1	1	1	1	1	1	1	1	1	1	1	13071	1	15298	15455	14577	8391	1	9578	1	8832	1	1	6563	1	1	1	1	1	1	1	7619	1	1
2,4-dimethyl-tetradecanoic acid	64536	67989	261168	249431	266573	253303	216783	214092	211753	211860	288447	293454	211853	206197	257982	250849	350601	368256	296800	280668	149825	156563	175850	187787	143522	136955	81774	103153	115482	118607	110763	112640	207894	208330	196375	196206	288648	287509	225541	228332	254398	253658	132244	128841	164743	170833	174901	174114	164732	161333	222038	211432	198381	191018	238060	241147	186355	188586	115546	126380	169376	159018	192231	189400	138842	144697	164970	154899	177234	178298	160213	157172	56481	57805	125226	130221	206877	213190	192829	200703	285473	264675	214619	212064	165274	168385	248115	257499	322439	320878	108050	112659	66327	62194	177473	176253	175538	178431	97964	101660	246004	241370	232724	220748	253447	255179	236446	235813	273719	267127	157739	165855	92492	93979	152501	165531	196580	193491	112495	115074	215593	213916	207909	216249	226511	228667	229053	222118	131296	119132	108489	105959	115579	106923	170859	163017	152003	156905	234361	242981	220891	219112	135102	126787
378.1562@1.0750971	1	41769	17811	18729	17968	18513	13244	10436	10477	9427	15027	16502	12764	12113	14649	19796	136160	14135	102341	95917	72539	1	17027	15644	10233	51751	6679	5617	6590	60709	4608	3836	17091	18453	125316	129380	106624	98114	98461	16308	25183	22895	11463	14705	116440	98766	11806	12759	75972	9776	15629	15114	11247	14456	17080	164339	14903	14599	78730	74008	28933	24791	23669	22110	9317	9767	86554	9674	16584	16748	15479	18207	1	1	9301	69059	82839	13907	81015	1	13127	15145	11106	12787	8793	61458	11965	10889	12488	14999	46782	8015	28662	1	96297	12777	12180	11506	47896	48692	10395	12159	16600	17154	11109	12257	11715	11610	12734	11897	74907	70764	6305	1	9292	6940	111293	12961	1	49424	14897	16612	14658	140203	22138	27328	22697	26922	7573	8257	6083	1	31144	4383	1	4381	5207	35980	70910	78209	8848	8823	9997	8556
C38 H74 N3 S4	1	1	1	1	3152	1	6015	6747	6312	4861	1	1	4342	4714	5590	6142	1	1	1	1	1	1	1	3929	4349	3759	1	1	1	1	1	1	3425	1	4711	3831	4458	3728	3500	1	6594	5746	1	1	1	4509	1	1	1	4616	5136	1	5018	1	4590	1	1	1	1	1	1	1	1	1	6370	14282	1	1	1	1	1	1	1	1	1	1	3489	1	1	1	1	4771	1	1	1	1	1	1	4992	1	8626	7774	6293	5242	1	1	1	1	1	1	1	1	1	1	1	1	4597	4889	1	4566	1	9567	6930	10132	1	1	3217	2705	1	1	5904	1	4406	4274	1	3951	1	1	6021	4909	4654	1	1	1	10732	7239	6799	8175	1	1	1	1	1	1
420.358@1.0863726	3990	1	36668	1	1	3961	1	1	1	1	1	25053	8004	3983	8511	59011	32765	1	1	1	1	32147	1	1	1	30620	1	1	1	1	1	1	1	3622	1	1	33627	1	1	1	1	1	1	1	50811	1	1	1	1	36211	1	1	7416	3596	5513	6264	1	7349	1	1	1	1	1	1	1	1	1	1	1	1	16939	1	1	34453	1	1	1	1	1	28542	1	1	7834	18466	1	1	1	1	1	1	10759	6110	31318	7687	43795	74346	3363	1	1	1	1	27220	1	1	1	1	1	1	1	34999	10994	115735	8299	67514	16696	15241	11680	9112	1	1	1	10260	27752	1	28575	1	1	1	35102	1	1	6281	1	1	1	5380	51199	4425	29399	1	1	1	1	1
MG(0:0/22:1(13Z)/0:0)	18152	15492	37738	38280	31934	34366	24508	25345	31363	29839	22749	25364	36363	37035	37507	38049	26538	24790	19503	20440	26441	24415	18651	19695	21977	23834	9778	10201	10304	12910	21365	21750	29820	32809	27721	29579	25753	25329	21657	22400	38744	40219	23635	23879	31989	34141	34380	34951	31728	33183	37302	34875	31849	32489	36557	38298	29403	29607	16604	16838	23478	22271	24768	23148	20170	23576	19383	20114	16552	14494	15396	16219	15356	14439	15263	10228	32393	31783	26801	26667	22223	23776	24088	21254	8042	1	34170	31096	33428	33280	28938	29608	20048	20533	28563	29508	16806	18186	12904	13161	24206	23915	25212	23588	30439	1	31996	31099	31387	30961	41281	42249	34664	35740	20162	23587	20745	22605	22193	19783	45592	49413	38075	40515	23198	24274	25905	28027	28306	30859	28025	26656	16832	17173	39413	34833	36490	36077	30384	29327	33765	31940	25209	24195
524.3818@1.0862972	1	1	6286	1	6473	14554	1	1	18044	17423	1	1	1	1	1	1	6159	7866	5981	1	1	1	1	1	1	1	1	1	1	1	3873	1	8929	10787	5771	6989	5826	6530	1	4455	6402	5929	14521	1	4947	4825	7246	6617	1	5847	1	1	5560	1	11665	7540	1	6435	8016	8880	8656	1	17382	1	1	1	4510	1	11271	1	1	1	1	1	1	1	1	1	1	1	4252	1	1	4007	3434	1	6815	7380	6260	1	1	14272	1	1	5507	21514	1	1	1	1	4142	5663	4449	4822	6614	7250	4672	9989	9276	8281	1	1	1	1	7077	10536	11691	6892	1	1	5336	6970	1	1	1	1	7239	6699	1	1	1	1	5156	1	1	1	1	1	1	1	1	1	4817	5447
552.4721@1.0910527	1	46653	1	1	1	20370	54849	1	1	1	1	1	1	1	1	1	1	1	1	1	1	60476	16938	1	1	1	21206	1	30174	25927	1	1	1	1	1	1	1	40231	1	20547	1	1	1	1	1	1	1	1	1	1	1	1	31529	1	1	1	1	25709	1	1	1	1	1	1	1	1	1	1	1	1	40827	1	1	1	18472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18320	1	72735	1	1	1	1	33321	1	104045	1	1	1	1	1	1	42966	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
284.0019@1.0768185	1	18556	23298	18971	30851	25453	1	14413	20481	1	18565	14753	46208	28573	38166	31382	45649	61966	12890	9107	31489	31462	23884	23455	45117	13709	1	24616	22246	47430	1	19576	33222	37880	36965	51237	41492	48346	29038	56275	22220	28988	49393	21179	26488	31877	25764	27878	31079	59340	1	45019	35924	53681	48915	41747	10939	13578	32377	30767	24333	57079	28130	24761	54301	37609	18655	33680	31276	34070	35459	30233	41210	35659	15873	22599	22220	41983	45587	30520	1	31515	28372	29175	6768	11596	20410	22957	13138	21927	24467	6549	1	44385	35933	1	14777	50222	32689	42391	1	17880	18006	29335	23584	27138	19773	33668	1	38887	17372	36777	13740	21726	37826	12078	10704	24371	18840	34359	37831	64925	34986	57776	43940	40624	25925	33929	30859	29702	51747	20692	24200	20466	40082	29627	13195	22806	35537	33967	1	35904	13836	23169
603.0948@1.0760996	1	1	3494	1	1	1	1	1	1	5591	1	6003	4073	1	7803	10595	5374	1	4026	6266	5492	7476	6793	6141	1	5519	6598	10354	1	9315	1	7617	7145	7439	6159	6763	6240	8359	8413	10552	6131	7346	6822	7030	6452	1	1	9577	8034	5451	7601	9199	10066	6718	6031	7144	6759	7288	4759	8273	5755	5796	9277	1	13987	8681	1	7900	1	1	7338	8195	4700	1	5137	1	1	12097	16718	1	5667	8541	7599	9662	5015	9372	1	1	1	5969	6455	7233	8386	8419	6430	7646	6158	9788	1	8774	3477	5179	1	8297	5701	5892	8468	8925	1	8445	5406	7973	7887	8522	1	7562	3959	7081	8234	11575	5985	1	6083	10867	9924	11418	3955	8874	9285	8249	9881	9311	8929	8723	7674	9572	1	6941	6348	8538	4590	7702	6810	7511
504.4156@1.0773854	90738	93393	128267	129102	136112	166917	73672	75244	93912	90739	99635	101886	178553	181592	197079	202790	100191	106927	83792	95451	78903	80796	64448	64156	84704	70517	23800	23750	25917	23961	61623	74156	153910	151091	127857	131028	71728	71038	58542	57727	112220	114746	86700	90866	135600	135295	75840	77827	58750	59892	96983	117417	129333	103293	133425	134949	114869	105429	239630	232471	51952	54485	66494	64388	96744	98102	73566	67554	33141	33982	32331	36367	61191	63520	49301	49655	66606	68594	57764	51200	102259	82547	81620	77471	65403	69468	120516	120451	164918	202137	66122	70214	52464	39473	133252	174974	64326	63610	47300	57524	56641	44244	59324	61431	124959	125298	116908	116080	134204	126435	97303	97432	79760	76513	122596	139936	137004	144205	77417	76256	93514	99209	75597	72370	125209	124285	126068	125823	51590	50704	43177	54007	76125	91986	48707	49019	1	46171	114532	96814	134564	101752	136511	105204
568.3037@1.0823333	1	1	1	1	7407	1	13178	14950	1	1	10561	1	1	1	1	1	1	7566	1	1	1	10705	1	1	11855	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8206	1	1	1	1	1	1	1	1	1	1	1	1	1	10778	1	13195	12045	4140	1	1	1	1	1	1	1	1	1	1	1	5439	1	1	10167	1	1	1	1	1	1	7570	1	1	1	1	1	1	1	1	1	1	1	1	1	9557	10556	1	1	1	1	1	1	6997	6531	1	1	1	1	1	1	1	1	1	2807	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4262	1	1
582.3256@1.0767199	3632	1	1	1	10112	14300	4855	1	7143	16222	1	6325	5385	8607	6414	6434	1	6913	21091	6589	1	1	6797	1	4905	1	1	1	1	1	1	3452	8371	7626	1	1	14594	1	1	1	21255	21939	9372	7702	1	7092	5722	5472	1	1	5924	5260	6267	1	1	6683	1	6396	16360	16946	1	4853	6754	1	3937	1	1	1	8387	1	3860	1	1	1	1	1	1	5438	4509	1	1	4858	5828	6925	5700	5974	5329	5501	5459	1	1	1	1	1	9057	8723	5173	4794	4704	1	5427	5716	6332	6373	7005	1	1	5554	1	6948	5989	1	4763	5076	1	12366	8678	9683	6086	6448	8827	7228	1	1	1	8737	8771	9189	1	1	1	1	1	1	1	4433	1	11019	5796	5474	9142	9321	5943	6040
638.388@1.0744532	15774	16018	42336	41103	44357	56798	15659	18293	25768	20919	32747	33808	28499	30234	42093	42588	32623	1	40883	39258	10998	9453	20814	15955	34991	29808	1	3887	1	5511	6536	13460	18766	19802	1	13824	59021	58888	1	1	21530	24945	27488	34828	19413	17921	23313	17958	18263	1	15998	15699	22126	24515	20012	1	18033	18443	34366	32995	14254	18418	12469	15196	19193	14892	1	3709	9034	11348	16168	1	33559	25016	1	8693	19075	17573	17300	15749	12387	13512	31206	34118	14097	11180	15792	16741	1	16122	17655	1	6543	16568	37468	38238	24525	19792	19203	18535	17060	19283	19481	27394	13916	17360	1	1	27678	20738	18862	21140	8893	8537	50358	47540	42717	41688	28561	18677	14563	13803	10735	1	20460	19280	24226	21500	16111	16405	17214	25226	15325	14133	35091	34137	48019	31444	35148	22587	35537	32596	26883	25231
410.3378@1.0788755	10032	11092	21167	20819	21571	22779	30759	16072	57800	16531	17089	16849	23405	23562	23943	24836	17510	17756	13989	14044	17435	17894	12472	11479	16001	14926	1	6840	1	1	17065	16026	17553	18430	17661	15744	16674	16662	14856	15411	22431	23792	15342	14879	24256	22471	21396	22263	18522	18715	23608	24102	21109	22657	33217	33982	24633	23590	13339	13317	14000	13317	15917	16185	15315	15448	13906	13192	11750	11099	12662	10456	1	11850	8761	7057	24260	22029	18736	18866	15637	15646	18589	17411	5128	6979	22134	22497	24399	25014	27265	16349	12177	1	22393	24022	11046	1	1	11537	15936	15104	14845	16609	21205	19839	18754	17645	16066	19442	26010	25790	22711	23540	18062	1	22851	23145	18965	16991	26569	26775	22262	22953	16280	15637	18150	17010	17707	19094	17447	17635	13635	12661	17067	15697	14480	15306	18107	19769	19685	19556	18173	17393
526.3978@1.079757	3790	1	8252	9233	9160	7112	1	4381	1	1	8278	7198	1	5490	7830	6912	8506	7459	5695	1	1	1	18829	3824	1	1	1	1	1	2914	1	1	12832	11986	7618	7925	1	4919	4618	4826	6713	8724	4611	4572	5745	5729	1	1	1	1	5314	5642	1	1	1	7217	1	5558	11354	10890	1	1	1	8418	6590	7157	1	1	1	5134	1	1	1	1	6368	7135	1	16110	1	14600	6162	1	1	4628	11231	1	8472	9490	7751	8252	1	1	1	7208	5544	1	1	4137	1	1	1	4148	7573	30930	1	7154	6448	1	9179	7631	1	1	1	1	1	1	1	5627	1	3849	4483	1	8096	5169	7821	8314	8486	7702	1	1	1	1	14489	1	1	1	1	1	4034	1	1	4707	1	4635
234.1616@1.0760518	1	1	1	1	1	1	54311	1	1	1	1	1	1	1	64721	70297	92686	70178	1	1	1	1	1	61650	1	1	1	3423	61571	59751	1	1	72474	69108	1	71593	1	1	18811	1	1	1	1	63894	1	1	77128	30498	85966	1	69293	66810	1	1	1	1	1	1	87136	84101	85813	58267	1	14959	1	70997	64632	1	45990	5914	56465	1	1	34478	1	1	90713	1	82588	1	2929	80946	1	71972	63477	55373	1	1	1	84494	3780	50837	50604	1	96926	85464	1	1	1	59673	84730	85093	72300	68944	80251	93016	78343	73126	3960	4895	67905	1	3569	1	1	1	70628	1	61061	50322	75380	96722	1	1	1	72723	72538	1	82156	69194	78839	84789	56954	4912	56109	81482	4880	66180	63586	65271	68486	1	1	53701
294.2535@1.0755404	1	1	21749	1	3544	8432	12570	11908	13732	7682	17304	1	1	1	1	4713	15324	13875	1	1	3267	1	1	1	1	3965	1	1	1	1	1	1	6708	7306	5015	1	1	13535	1	1	1	1	13822	1	1	1	1	1	1	1	1	1	1	1	11784	1	1	1	1	1	1	1	1	1	1	4907	12796	3845	1	1	1	1	1	1	1	7047	1	1	1	1	1	1	1	1	1	1	5087	18324	6518	1	1	1	1	1	21384	1	1	5595	1	1	1	1	7111	9157	1	20303	1	1	1	22284	1	1	1	1	1	1	1	1	1	1	1	1	1	19113	4318	1	14801	28712	5562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
693.4155@1.078	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
493.9895@1.074375	1	1	1	1	1	8842	1	1	1	1	1	1	1	1	8049	1	1	1	1	1	1	1	1	1	1	1	1	10624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11319	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9201	1	1	4270	1	1	4138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
406.3773@1.0775143	1	1	85862	90662	80712	84370	1	1	1	1	58491	76214	7983	115721	116778	8514	65718	83611	51448	1	1	1	45219	45851	1	57830	1	1	1	1	1	1	1	76735	1	91534	63167	50907	1	1	104590	7337	1	74083	1	101807	92105	5566	1	1	73592	71607	1	1	86370	88506	1	1	1	1	1	1	71599	1	1	56419	1	1	1	34621	1	33040	65749	1	1	1	1	68658	55391	56526	52129	1	1	1	1	1	1	1	101125	101578	1	56913	1	1	92972	96080	1	1	1	1	46011	1	43495	43038	1	73937	95590	4524	102349	90998	1	1	94382	1	8001	8450	9130	9449	1	51901	8057	9065	1	88690	1	1	72312	87463	1	1	1	51154	43820	1	64578	1	1	1	7232	67668	92219	90675	1	1
9E,12Z,15Z-octadecatrienoic acid	30254	31460	313889	301447	74959	242263	53298	52709	41553	40940	358543	376912	284902	289929	540173	549477	101228	341410	92289	91720	48374	107931	97130	214177	528795	56658	24594	25682	52243	31122	25911	28266	111635	108582	221909	228992	253991	246111	192766	201017	351628	352355	199673	208467	213756	215185	71904	68223	50914	49920	262051	255565	67218	69820	291247	293581	212920	205896	70939	70257	173443	158249	218755	218271	49849	50658	171976	62606	116521	115320	148879	106453	15712	19222	586716	632078	172836	175719	237129	235250	216005	214842	417416	402077	62840	63136	226539	231173	352495	358414	146971	147156	144054	137703	449359	457245	75414	75999	42321	42436	176786	163700	247999	243525	209021	215629	93570	90544	78216	77458	224276	221380	158471	155743	50887	152180	175651	177658	39192	37735	286110	288199	249809	252530	436102	439039	399980	385364	174854	176505	161793	154187	37528	38411	321648	328042	88940	79280	319223	304155	249290	240618	243920	256373
390.0829@1.0758461	3166	1	1	1	1	1	1	4399	1	3893	4930	4693	1	3357	5088	6206	1	4615	1	3526	3067	1	1	1	4436	5090	1	5246	3471	5928	1	1	5611	5185	5911	4659	1	1	1	5287	1	4503	1	3672	4517	4812	1	1	4681	4884	6215	6324	3937	4844	3967	5515	1	4840	1	1	3433	4519	4184	1	6475	4058	1	1	4226	5229	3284	4975	1	1	3859	1	1	5500	6409	1	4694	5862	1	5545	1	1	1	1	1	1	1	1	1	1	4405	4786	1	1	1	1	1	1	1	4228	1	3339	4073	5190	1	5128	1	1	4983	4152	1	4032	3547	1	1	4124	3202	5693	1	4557	4925	7262	4353	4486	4710	1	1	5534	1	1	4246	3800	1	3613	3655	6032	2930	3686	1	5981
686.4698@1.079	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3387	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
438.3683@1.077455	25093	26377	44156	1	1	1	1	1	34168	36567	35162	34575	1	1	1	1	33898	37150	1	28965	1	76716	32110	32487	41533	40872	11768	31091	12154	11542	26412	33147	1	138787	31457	1	38921	36125	31876	28858	52944	1	1	31963	1	1	46972	1	44183	1	1	1	1	1	1	1	1	30507	1	28280	26328	1	1	30557	1	30586	1	25375	19137	16905	1	1	25483	22675	15957	17294	42792	43670	33822	32796	26401	1	1	1	8664	69144	1	1	1	1	1	1	36427	37625	1	1	21065	20647	17446	18689	34022	1	29159	31218	1	39565	42716	1	44897	39701	1	1	1	1	1	41806	40124	40991	1	34547	1	1	1	48575	1	35565	1	1	1	1	32559	36155	19873	21514	53275	1	1	1	1	1	41260	1	33109	32730
C31 H63 Cl N O3	56410	60230	57410	63987	76579	64679	1	27754	37453	51838	51154	89549	123994	126333	104931	146626	46936	48808	36406	36230	33893	27567	1	25188	28243	27748	1	1	1	11546	1	33269	73221	55023	58039	44035	39140	46026	1	39279	36620	38064	1	31068	44324	45217	37159	1	21166	22822	33851	1	36890	38073	64715	66999	33265	45596	82783	80382	17909	19035	20615	22186	1	1	34605	1	17226	11067	11986	1	1	26925	1	1	25986	37074	33006	22728	44575	44147	43605	52444	1	1	33558	33680	85577	57057	1	20692	25388	24080	1	1	21828	22469	1	1	16636	17147	23922	30726	38004	37154	47782	43656	43159	40782	53170	40084	39803	45733	1	1	69488	1	34890	35836	1	56509	29007	27409	35121	37945	33204	32472	23978	22504	19348	24677	43284	43982	26615	29346	29157	29632	59660	36458	40393	1	41891	41051
398.3379@1.077022	17466	10817	20932	20501	19661	18487	17795	18052	18352	17569	14446	16098	22982	21738	28047	28704	14822	14581	11738	13826	15823	12282	19631	20730	17073	17616	7011	1	7339	7159	13817	15853	1	19123	19204	16844	15557	15520	13538	13412	18561	18436	1	12050	24164	23918	22487	21944	27483	28727	21030	20121	22994	25269	26171	60841	21699	20693	16641	15390	13180	12763	12103	15084	15472	15754	13651	14900	8124	7862	1	1	14569	14716	7125	10154	12732	1	13664	16084	14072	15539	15066	14844	10822	7079	18670	20308	20171	21749	13069	8400	14386	14150	16347	16923	11788	11245	10140	11303	17162	12574	16060	13232	20648	20547	19068	22288	17758	21402	20360	18855	15576	15868	20025	14654	18703	21394	18267	14740	20060	22173	19538	17266	17242	15714	18941	20873	13617	13579	15447	15635	12354	13105	15183	16780	13243	14056	17434	17365	18037	15782	8384	12013
C27 H57 Cl3 N3 O S	10840	10442	19791	25258	19464	24112	1	24279	30120	35602	14214	15058	23557	25228	1	18838	20716	15927	20147	19177	11243	11625	23707	20328	23554	25482	13937	14353	14656	18619	7825	9505	17856	16724	20505	17965	1	56699	26863	1	33412	29909	30774	24350	26459	27092	21228	21756	22694	1	18435	1	21797	17184	15434	12421	1	14229	15638	16268	1	1	26848	32802	20291	17860	12777	12480	1	7390	12380	11190	10728	1	1	1	18361	19094	13254	11277	17525	18333	15003	19850	1	10428	15129	17454	13747	14521	19035	20496	12542	11529	20705	24795	13419	1	12651	12955	18957	16874	20333	17265	1	1	30756	30219	23312	23565	37333	49838	29118	30259	11529	15635	14275	1	16148	15394	33204	32016	18143	17660	18425	18241	1	28695	25619	24465	27433	1	1	6767	129332	126259	134613	131850	11863	12993	19310	18268	15653	12176
478.3995@1.0787144	45050	64901	1	1	75801	1	50208	48431	60382	1	1	1	1	104696	97438	106055	61788	1	45747	45625	1	1	1	1	1	1	1	1	25605	24850	39061	38664	88242	124623	82624	87478	1	1	1	1	1	1	1	1	118137	1	1	85342	1	1	71675	1	1	1	1	1	46670	1	140648	151305	53627	54460	65025	64877	1	1	1	1	1	32847	1	1	49228	50575	40949	44276	1	1	38115	1	1	50397	1	1	42965	43174	73752	100205	1	111518	1	1	1	1	1	73493	45563	56589	1	1	1	1	1	1	1	81995	77027	75264	88242	85507	1	1	1	1	1	57249	54249	55841	55319	52634	1	1	1	53096	82111	97494	1	93198	1	1	1	1	43788	1	1	1	1	1	49291	1	1	69082	51525	1
442.3087@1.1019626	7990	5380	1	1	11138	12234	1	5734	8291	54035	1	11749	11759	10407	8660	12932	10757	14044	11191	11761	8981	1	9506	8808	1	8196	37422	9158	8044	5879	8946	9488	23690	25278	16204	16989	12065	12238	13317	11481	1	14089	1	13160	13582	13515	14895	14506	14584	15150	16547	13993	13551	7978	13377	14828	11851	12200	17276	1	1	8715	10169	1	1	14995	14391	14150	11214	12069	1	10472	1	9944	11128	10060	1	9947	7844	12182	1	8676	13238	11418	11802	1	16488	17829	16296	15756	10667	9403	1	10440	14539	14111	12606	11196	1	13072	1	1	12733	1	1	6572	13545	19479	1	9893	1	15760	12626	8834	12646	12702	15543	1	15866	1	1	17964	14314	14046	18393	15631	14561	1	15878	1	9770	1	13761	12300	1	1	1	1	1	12107	21051	21017	18010	1
440.3826@1.0785005	15832	1	27773	25472	23591	25863	33641	29863	25008	19393	29941	34079	1	45169	1	56958	30227	27494	25313	29557	28411	24671	54949	49583	50632	46532	1	6342	1	1	21210	18015	32620	35810	29549	32018	42229	42222	29199	27817	57227	56473	37865	1	1	1	35539	33390	1	32340	36632	38042	1	43639	44299	44265	33162	28233	23455	23358	1	24383	29906	27560	23372	21939	24218	18490	11715	14314	19550	19615	25804	24652	15611	12378	34969	33907	26800	29015	28937	27444	35462	33005	1	1	18053	22057	39277	33258	52142	56245	44827	47882	54116	56919	22384	20363	17843	19494	28226	31228	27012	22726	30067	31240	24822	29011	24683	27451	79840	85018	74271	71956	22799	27726	1	26433	35337	32494	53507	57231	39309	1	33868	36926	37830	38600	38966	42661	41217	1	17332	15182	1	69363	59424	59884	1	27921	36295	31344	1	33089
354.1528@1.0762527	1	5747	31868	29105	40504	32797	32686	29776	25282	18946	41674	39815	141715	24509	34842	35057	31153	28879	22422	29386	18286	20560	35034	34177	16154	15858	8757	10306	13284	14678	7957	1	20516	20815	22340	23421	37830	36208	34688	35591	29799	28941	94603	16847	20067	17615	29181	28579	23685	25275	26469	27476	22818	124148	59190	56978	43174	42030	13163	11531	19855	20689	20561	20532	22161	25022	25418	24451	26901	28547	26543	27509	1	1	18501	19624	28163	28389	1	24957	41993	41836	32805	30460	17314	18527	16764	136557	20981	21884	13135	11531	6560	8358	11549	88035	37808	39461	20991	21752	23856	24755	26174	30942	30056	30847	51780	47036	42608	41896	1	1	1	1	80251	1	109844	115556	11067	1	29812	30986	31762	27810	39889	38182	38276	38831	73055	71307	60671	1	43416	1	16331	16092	16768	74939	24343	30220	21182	22311	14381	10320
13Z-hexadecenoic acid	1	14373	69635	66673	80812	98073	65380	66940	47993	45930	109343	120460	62921	62547	105669	106968	98429	100230	78080	94739	48977	61899	101725	96283	58682	54940	24783	23196	35355	33497	24133	30705	66402	66073	67642	69286	134802	128450	111987	115565	85777	87099	37868	38367	42166	44251	81732	85128	78107	73174	74966	80540	73562	60631	189394	178636	120339	132165	36938	39016	61550	58319	61490	60152	66091	64715	71736	70341	80978	86877	84233	93798	1	8591	54823	51970	92203	86746	82157	82646	153338	151493	113065	108418	52268	53896	49128	44868	73039	69607	39903	31763	24956	23621	37317	38698	136179	135763	65472	70582	78415	76171	79235	84511	96970	98556	781389	777033	169209	169326	27874	23001	15450	16448	33517	32977	49785	56838	34718	34306	97464	101798	97466	114852	143902	149075	148621	146352	31060	32339	20835	21556	33766	39132	56961	60934	53481	52956	93333	97979	75065	74938	37557	36900
346.2133@1.0808889	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11039	14703	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4027	1	1	1	1	1	12252	13669	4749	1	1	1	1	1	13859	14992	1	1	23588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
502.4003@1.0790151	105242	108868	169386	166102	169058	172880	102413	97839	110655	108678	129814	131973	184330	192021	261462	269257	142196	147198	114163	112900	77513	75177	1	86187	78735	75515	29871	30964	26453	27735	101009	93967	1	175125	140160	151425	118874	119452	88124	88450	176033	172945	115259	111934	162772	166818	112505	111273	82030	87694	146009	144343	136184	142931	232908	231582	162912	134078	305324	297879	73598	79562	1	91771	104986	110419	103946	103011	1	43075	54032	52293	107249	105536	61808	1	103921	106588	83363	86070	105099	102270	122454	120562	79298	75702	158688	162893	217625	215160	66764	68441	53398	52541	234176	237219	99289	91818	1	70865	74335	73243	77462	74449	178892	168819	142510	145576	198499	200081	132933	136524	114714	116833	204610	196101	207475	170941	125874	127075	176647	178046	127463	122219	151292	160605	153933	147366	74092	71560	64101	63351	116010	118768	45949	45750	1	41474	148880	152153	156381	157614	177459	177142
643.3297@1.0820221	1	1	1	1	1	5965	1	1	3687	4955	1	1	1	8206	1	10330	1	3520	1	1	1	1	1	1	1	1	1	1	1	1	1	2626	1	1	7423	1	1	1	1	1	5895	1	1	1	8413	1	1	5305	1	1	4100	3536	1	1	8617	8736	3136	1	10332	1	1	1	1	1	1	1	1	1	1	1	1	1	4970	5997	1	1	1	1	1	1	1	1	6527	4917	1	1	5258	6110	6750	1	1	1	1	1	8148	1	1	2478	1	1	1	1	1	1	3491	4765	4672	5768	6233	6670	1	1	3879	8493	4821	7465	6230	1	1	1	5457	1	3643	1	1	5252	1	1	1	1	1	1	1	4539	1	1	1	1	1	5763	3416	4909	3479	7747
570.0017@1.0805	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5046	1	1	1	1	1	1	1	1	1	1	1	1	1	5426	5689	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4472	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
126.1042@1.083	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5852	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5368	1	1	1	1	1	1	1	5575	1	1	2837	8986	1	1	15569	11559	1	1	9716	10253	1	17372	6797	3762	1	6376	11686	26731	1	6647	1	9674	1	5951	1	1	1	1	1	1	1	1	1	3946	1	1	5966	4012	6674	8711	1	1	1	1
158.0946@1.0979999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8985	1	5965	4975	1	1	1	1	1	1	1	1	7622	1	1	1	1	1	1	1	1	1	3671	1	1	1	1	1	8089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7164	1	1	1	1	1	1	1	1	7777	1	1	1	1	1	1	1	1	5941	1	1	1	1	1	1	1	1	1	9604	1	1	1	1	1	1
208.1458@1.0819445	1	1	1	1	1	1	3230	5579	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12398	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4931	5213	1	1	4216	1	4170	1	1	7114	6894	1	1	3149	1	12059	1	1	1	1	1	1	6335	5066	6828	6919	1	1	6054	4773	1	1	1	1	1	1
C34 H59 Cl N2	53878	55708	94293	93337	91883	90894	80284	44573	47193	47455	84733	82096	91338	93556	171972	172987	76665	77483	58129	59764	28443	29148	1	39692	38764	39578	1	1	1	11956	75414	42763	68019	65674	51435	50685	55566	55068	1	34426	62383	61797	1	45195	63909	61488	43781	1	31756	33482	58543	1	62929	61266	89703	91358	62904	63609	108076	106331	26425	26287	33211	32733	1	1	38218	1	18432	17663	21931	1	96664	62138	1	1	45640	46485	1	1	41064	40075	59628	59934	1	1	54640	51733	89124	92231	60657	1	29943	30719	149301	144983	37239	40024	1	1	33508	49812	33173	33854	57196	59541	46509	1	75720	74914	63665	62654	46735	47132	186863	173276	97353	169365	1	46891	106407	63783	54398	53601	62837	61853	52618	52917	32471	33041	32526	32597	61318	64687	30856	30149	31867	33828	73606	75056	75637	127369	81721	78796
2Z-dodecenoic acid	1	1	10779	1	22299	19789	1	1	1	1	1	1	17621	19485	1	9775	1	11475	17873	17629	1	1	19739	18081	20892	19172	19846	21647	1	1	15255	1	23138	21568	17285	22720	1	1	15488	1	27429	26568	22907	19388	29308	30711	18421	17275	13348	17437	24000	21512	20860	46187	23390	25560	18705	18799	20536	19505	10147	1	1	11106	17506	11268	20703	19339	16029	17636	11418	1	14102	12686	1	12667	16521	17130	12956	15078	20300	1	22603	18824	7926	13716	1	1	1	1	1	6555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3341	3595	4453	3207	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5615	1	1	1	1	1	23569	6727	1	1	1	8826	1
470.3932@1.0800264	1	1	1	7477	1	12056	1	1	17521	1	1	1	1	12680	11815	1	16195	19586	1	1	1	1	1	1	1	1	1	1	1	13605	1	1	1	15071	1	1	1	1	1	1	1	1	1	1	11880	1	15490	1	1	1	1	1	1	1	12750	1	1	1	14060	1	35695	16652	12818	11896	20290	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11494	1	11549	1	9494	1	10055	1	1	16000	1	1	1	1	1	1	30467	8237	1	1	1	1	1	1	11971	12638	53993	40718	34307	41596	1	1	1	1	6697	1	1	1	1	1	1	14181	1	1	20527	22658	17196	17806	1	1	1	1	1	1	1	1	1	1	1	8785	1	1	1	1
404.3633@1.0835618	179569	185235	28858	123795	303124	27035	12028	14794	1	9174	15975	14807	14265	13607	18906	378950	256482	12850	185911	244044	1	253904	157477	156172	225769	8906	1	1	1	1	182962	8719	281316	1	250594	6357	10508	7810	8379	211973	34189	14000	9727	7513	371148	374357	238275	15712	1	265270	16523	265461	15026	17096	41558	36253	1	1	323439	374319	9892	7284	193132	202240	205258	7330	237709	184025	107669	107769	130671	2776	114546	161203	9995	7794	11772	26224	11458	26087	175804	143218	7234	176345	1	1	24783	342769	406429	411142	22062	11014	124938	6720	1	334447	220442	169515	153948	5847	10123	17545	13433	10678	12214	288213	273252	275513	311594	275870	15748	16911	288718	390790	11931	1	441002	14282	214240	207364	20625	18606	14302	14063	265548	260641	281327	268112	8949	9806	149847	154328	160183	11573	14121	156961	142433	16006	292204	271594	304976	318711	18433	19717
95.9884@1.08066	1	1	1	12786	1	1	1	1	1	4843	10175	9173	1	1	5697	1	10113	1	1	9333	11769	1	1	1	6997	11113	1	1	1	12234	1	9722	6696	7628	10807	1	1	1	8312	1	1	11490	1	1	1	9189	8113	11787	1	14961	18904	1	1	1	1	13522	1	7081	1	12668	10409	15620	10110	13265	1	1	1	1	1	12236	1	1	1	1	1	1	1	1	22827	1	1	1	1	8883	1	1	16423	1	17536	1	1	11834	1	1	9348	1	10697	11696	1	1	1	21213	1	1	1	1	1	16390	1	21737	15668	1	1	1	1	1	1	1	1	1	1	26162	10877	1	1	1	23202	17328	1	1	1	1	1	1	1	12532	1	7462	1	10645	1	17471	1	1
440.3487@1.0895526	56670	77787	1	1	76805	80365	155206	112980	152977	142989	1	1	143801	132598	1	146634	73899	70473	61832	54474	1	82648	69984	73468	1	1	52602	1	1	1	69161	1	128300	131868	1	113627	1	87246	74996	94877	134907	139394	1	1	1	103834	65300	85563	1	1	1	1	1	49852	140917	112390	120380	60475	59742	1	1	1	1	103593	1	1	1	53583	56066	55571	49648	59178	1	1	1	1	68417	108004	1	77175	85912	78674	1	1	48432	1	1	118466	139080	160694	1	1	1	1	106693	1	61777	1	67982	1	78752	1	82730	72486	1	1	1	1	1	30793	134480	1	1	118599	117919	115726	96610	98072	1	69659	121896	1	1	91105	84982	68141	1	99763	1	1	1	1	52293	1	1	1	1	67412	82887	79707	94255	1	1	1
340.2071@1.0865256	1	25312	21750	23353	16796	18937	17236	27898	1	1	20157	21692	20680	1	36860	1	22594	21355	24439	18175	1	1	1	14511	1	18936	29586	14046	1	1	24493	22897	1	1	17118	10921	19066	1	1	1	23896	30341	23828	18020	31207	30341	1	32282	1	1	19808	1	12419	1	28562	22889	1	1	21358	28840	16031	11586	16234	28912	1	22632	10048	28207	14332	1	12911	1	27420	26666	24822	27069	25875	13432	1	23567	26107	23156	17118	35595	1	14951	44732	24421	32409	33885	31707	1	1	1	40355	1	14418	16591	27648	30809	16952	18244	21244	26371	1	21157	32172	23967	33671	57161	15231	1	1	1	36527	30843	17925	15428	30346	1	26490	1	27731	27237	23725	31317	21938	26281	1	1	1	22090	20729	1	26927	1	1	1	1	31469	26404	26704	24038	1
451.0683@1.0793631	1	1	7182	1	6017	1	1	1	1	11738	11074	1	1	8130	12325	15746	9355	10318	8418	1	1	8863	1	8428	1	9423	7962	15219	6071	13038	1	1	11933	12955	7590	9379	1	13801	10061	12878	10249	10587	8094	10177	10564	11421	9202	12703	11008	9574	9407	1	13518	1	11201	13738	6773	9542	12946	9963	1	1	12591	9452	14800	10208	9832	1	1	1	1	11828	1	1	1	7810	6338	1	1	1	1	9627	8082	10735	1	1	1	1	1	6857	7771	10225	7649	8105	8360	10240	1	1	1	7644	1	1	5745	9120	6304	1	9366	1	1	11911	1	10751	14118	10077	1	10651	5762	7146	7292	10664	6696	11557	8619	12645	1	13289	8552	11990	12025	10691	1	12728	7724	7990	1	1	7691	9746	1	9305	1	9369	8039	1
556.4504@1.0804105	81312	81070	1	1	77886	1	213947	222056	227217	45695	1	1	1	1	1	1	1	1	73153	76074	30669	1	57418	1	1	50029	13427	12915	1	11092	33875	34621	101794	105634	1	1	1	1	1	1	1	1	1	1	1	1	90412	1	45933	1	1	1	1	1	1	1	1	1	93576	96021	29262	31200	1	1	63148	62557	1	53857	22331	20868	1	20939	79236	80200	1	1	1	1	1	1	1	1	1	1	1	146971	1	1	1	1	1	1	1	1	1	1	1	1	40184	1	1	1	1	1	1	1	1	1	1	143712	1	1	1	1	51561	1	1	1	72010	72196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
402.3452@1.0809286	1	1	1	55126	1	54132	1	1	1	1	1	1	53374	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42213	1	67987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45631	1	31144	1	1	1	1	53751	1	1	1	1	1	1	1	1	1	1	1	1	32235	31664	1	48264	1	39627	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31801	1	24540	1	1	1	1	1	1	1	1	1	1	1	1	1
196.1457@1.0765188	13164	1	9436	9203	7877	8714	11378	8266	10367	6815	1	1	1	1	5218	1	1	5133	1	5987	10793	8448	1	5916	1	5864	6652	7370	1	7839	1	11244	1	1	7416	1	1	1	7787	1	1	8229	6922	6920	8057	8391	7625	6547	11877	11628	10962	1	7180	6143	9646	9441	8552	6378	7145	6961	8439	8783	8457	7356	6962	8647	1	6755	7796	4469	9272	5604	1	1	12084	11620	12220	8991	11532	11867	8508	16826	21584	12388	14572	11595	12074	10544	17735	1	10548	11979	12269	11816	1	1	8762	1	12721	9035	12296	11814	15023	16804	1	14151	11874	8260	16422	14633	17974	14793	22120	31376	29318	21693	31142	19916	16150	20343	18476	17257	21906	21492	7291	6323	10545	10078	1	1	16122	12211	30212	27101	9767	10264	31172	24174	4502	13862	1	1	11305	12733
240.1356@1.0798558	15506	17254	1	12138	1	12642	15636	13987	1	10249	1	1	12098	1	10419	1	1	1	1	1	14625	13881	10775	1	1	1	11702	1	4645	12305	11970	13957	1	10853	10940	1	10348	10948	13650	12901	14651	11008	12993	12641	1	1	25640	1	17810	18576	15790	14762	1	1	12185	11166	1	9285	9210	11592	9274	12747	9923	1	30662	11660	1	11332	4250	21872	42117	21238	8148	10409	15844	14798	12085	15135	14703	17360	14225	14095	24278	20846	15769	15976	16902	14119	22790	25956	17733	15774	18208	19719	17435	16342	14034	15305	16151	15287	18723	17529	21798	21837	18484	20871	16797	13487	19080	20907	47584	24905	30387	36296	29160	27003	24421	26335	26326	28891	25950	24285	21403	24125	1	1	14007	13017	13192	13442	17878	17672	42372	39872	13656	14722	32881	31789	18336	17317	12562	11826	15274	16846
426.3694@1.0821663	125550	119559	141720	143002	134621	142012	114211	115483	148571	138616	126298	133493	205245	194616	191925	205383	133436	134987	112551	110191	121477	115551	99384	102829	107463	107352	51844	50874	53320	52166	111321	112947	216394	217347	184221	190285	117951	108282	106848	109703	179983	197875	120499	118947	170794	151223	175565	188173	158913	139367	153065	151299	131735	152237	193773	206795	146861	131676	87129	89512	92452	91999	105567	107508	127022	129719	111657	109625	63179	61415	62468	64945	76886	76198	55389	56733	140143	142859	111139	116896	111279	106097	105621	103381	37670	40685	152528	148261	179566	180545	121505	127970	92077	97701	155618	153360	84499	85175	69084	72004	107795	100214	99696	100153	124888	107269	136877	137950	155395	150794	190204	188457	160886	163234	77777	76696	74062	73608	97246	96032	191950	194591	169045	177170	109388	97566	119649	111941	127030	136577	113751	112068	86601	84969	165988	162764	164995	181419	130626	129154	144613	145862	116175	113661
550.4575@1.0820694	111040	73425	191750	199735	132130	183423	116461	182223	176311	134249	189092	205115	295159	264698	340252	370853	149552	167023	142745	151586	152335	1	114615	135063	190926	176783	36004	40184	27548	28026	88987	94942	110087	144152	142894	126808	125211	72922	99866	76489	204513	201522	104659	106570	162348	136656	137544	121720	90040	102105	152601	153761	173470	197010	164377	166007	106955	113065	144159	149501	79444	68427	54667	67651	165261	126465	95950	98647	40797	39827	50659	97542	94882	129843	22193	41017	130371	142075	106167	93640	119632	119409	214800	187238	36774	41275	118526	115854	195015	191869	80190	103820	80249	78054	230216	229288	72357	68241	60138	59906	72742	73164	65952	66681	116785	144637	139909	125227	122211	100864	220475	165050	156696	119893	338923	308073	326843	328386	65638	107858	154121	163731	138696	116813	113264	102749	113017	113222	93251	100527	96779	124521	110573	133913	128639	120497	125952	159463	116153	150934	162451	166997	118894	116290
640.1588@1.0794616	6606	6375	1	4817	14915	17560	8415	8681	1	1	17578	21726	8093	8312	11654	10958	1	7110	6173	1	7569	7529	19905	16588	10542	11174	18594	10377	11504	12913	10722	12027	1	1	1	1	11413	11376	1	1	4511	1	8522	9911	14160	12668	1	1	1	9982	17919	19056	1	1	9609	11105	10792	11856	1	1	6614	4977	1	1	1	1	16565	14267	1	1	6335	1	1	1	12681	14163	1	4984	14458	16757	4738	5038	10870	1	5516	5635	7356	7577	1	1	16737	16662	1	5689	17018	16356	8620	8100	8197	7214	16078	15959	16887	13727	7458	7643	11062	11070	7041	6001	10722	15866	8447	10554	1	4066	1	1	18988	21612	11128	11695	6876	10157	22998	20398	21075	21477	17586	1	11370	11752	22095	27986	9566	9620	1	1	7856	1	6409	1	3117	1
544.4102@1.0910699	1	1	1	12138	1	1	8186	1	19914	16608	19380	16931	22827	1	1	1	15915	1	17124	17709	12982	1	14061	7884	12832	1	1	1	6587	1	1	1	12760	1	1	1	1	1	1	1	21171	21795	1	1	16088	1	11530	1	1	1	1	1	1	1	1	1	10752	1	1	1	14080	1	1	1	11992	1	14986	1	7508	1	7036	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14664	1	1	8781	1	1	1	1	1	1	1	1	17358	1	11154	9051	1	20630	1	1	1	1	1	1	1	1	23058	14823	10204	1	9843	16186	11720	1	13584	8218	1	10369	1	1	1	1	12088	1	12862	1	1	1	1	1
5?-Cholestane-3?,7?,12?,24,26-pentol	34296	42216	60298	61507	76252	71652	61147	65345	69098	59291	46250	44720	67507	65069	1	1	1	45869	41477	43144	69074	41439	43722	39381	54219	49689	35772	35243	33707	29913	55442	54797	63878	56187	56925	60703	1	53298	52172	49384	92003	1	66063	1	72406	1	73153	73536	66702	55966	71108	79131	67578	66550	68400	68341	1	68314	1	1	63674	59646	62813	17740	56791	59547	57541	49354	35928	32469	39974	40211	26066	37504	21724	1	70563	71135	61889	1	44930	42364	51547	1	19742	26933	82367	78468	87656	87049	36022	66908	53981	49091	80109	50491	41297	1	38050	29493	1	54606	57406	52573	1	1	1	65816	1	62724	135933	134081	1	133217	56633	55667	44007	1	28441	23205	90933	79372	1	21168	54580	58167	61276	57254	69246	72640	74977	76078	17179	14582	65938	98346	92867	93649	55351	50611	56883	56630	65136	65257
476.3844@1.0817462	87848	96653	106334	112168	97308	143897	81524	81472	92623	139808	159961	107237	160123	163215	172064	172724	120400	97179	1	1	113428	119311	112296	112514	120371	114529	55501	52659	35086	33330	71999	73386	174505	186527	132967	131305	124568	128986	116000	117072	207335	235828	146479	124685	145357	142376	100126	98378	120584	131457	80884	97576	156328	194013	138240	115078	103158	114623	218205	207434	68147	69650	80911	100628	159212	186051	165665	172120	1	1	1	1	71283	71755	62803	56479	116367	118813	79188	109284	79634	74628	133801	125862	74283	72273	164809	127818	151069	160367	101096	117287	75727	91946	131975	136577	73483	90801	87971	80067	1	1	1	1	122405	99423	129055	121913	141971	139223	190455	108544	152531	170551	1	1	1	1	72720	84937	112118	112664	157672	106443	112613	142867	152316	116669	93596	102553	102941	109296	82852	79306	175061	137500	101373	102091	119800	96554	105109	106188	106897	170498
482.3936@1.0845748	1	1	13414	13085	13061	15775	1	1	1	15271	1	8729	25487	16619	28194	1	11316	1	1	1	14808	1	1	6567	13701	10677	11589	10170	1	10356	1	13483	17326	15071	15072	13749	1	1	1	11806	22597	24163	14912	17939	21894	19806	15890	16393	30887	1	1	1	1	41247	15363	1	1	13613	1	12894	16112	12652	14848	12909	34262	35397	1	1	8982	8554	8162	1	1	1	1	1	18814	18636	15689	15394	14726	15799	1	1	1	1	17443	17711	17291	1	1	1	13076	1	18043	1	1	1	1	1	12783	11632	12236	13335	1	12439	21692	19371	21973	18506	31431	1	1	26487	13081	12041	13138	13622	1	23296	24579	1	18062	19867	12719	12203	13954	13963	16421	1	1	1	6455	1	1	26722	26506	29284	13053	1	12814	1	1	12869
516.4136@1.0810381	1	1	1	28320	18861	18392	1	9070	10056	1	25464	31463	31650	32993	42225	43468	21293	21943	14985	15278	6781	1	1	8683	7812	1	1	1	1	1	9058	9560	15375	1	1	1	14337	16012	12170	15411	159117	18972	1	12650	13437	12739	9315	1	1	1	19026	20401	132343	21474	27928	30081	21303	19075	13307	14034	1	1	1	1	8076	8807	7831	1	1	3839	1	1	12685	10551	11922	11789	10781	13687	16762	16929	11815	12563	28786	29644	1	1	11810	1	19871	23907	11594	12371	8502	8664	44391	43623	9221	11520	7175	1	12112	1	13485	13023	71443	15227	13205	1	25316	25402	24523	19178	15044	14140	15130	12380	16558	16617	11909	12275	22136	22219	15382	16404	17542	18664	13871	13354	1	11382	11970	9972	21099	21353	1	1	1	1	26812	28239	21616	23181	23142	21511
MG(0:0/24:0/0:0)	15920	16336	17412	15771	18834	17992	41625	42529	44124	43887	26246	27331	64259	64463	57510	57363	20126	23051	31996	31427	15261	16164	46765	45651	69732	70648	12099	12251	13189	12382	10780	10855	48508	49735	44262	42739	65265	63496	35655	36598	82117	85013	47900	47862	54075	55405	41235	39182	56415	58750	44606	42904	50544	52490	42104	42777	23799	23618	11946	12957	35726	35619	47151	47715	60761	61179	43847	43475	14901	13536	26721	27127	14504	13855	8024	1	51157	52146	32230	33844	28260	28710	41417	39931	4667	1	23286	22636	50746	50344	151740	149497	88296	89837	61646	63738	19346	17797	21444	22308	29007	28002	20415	21543	26784	24995	45910	46623	30657	31477	152508	147140	124462	125471	13186	14131	9743	9345	21084	21311	75938	76886	46975	46909	43125	42322	49978	47293	76034	75667	77229	78886	9651	9629	185558	181301	136406	136647	23913	23446	25623	26219	37333	41269
434.3384@1.0924749	44161	41796	72820	37311	67486	47161	5835	7338	30517	41287	24927	37182	75330	49543	72019	79779	53719	32638	46168	47200	23066	33303	41033	25205	35532	53454	15607	14318	15395	14696	41395	49930	51955	48714	41399	48147	23016	38508	48037	46405	1	72414	53735	54776	66538	71014	67262	69358	38771	22498	70493	70303	59641	66488	93936	87022	75390	74927	50489	50527	38715	20939	46423	45945	43155	43689	41240	42055	29800	28275	33285	32747	38440	36384	19549	23752	58523	61362	52413	27920	19288	47372	48146	55074	20157	16962	70362	65418	7963	71315	52516	1	36736	38663	83405	1	36956	37928	34051	37268	49875	47350	47573	47319	30822	62652	51406	50313	1	28943	83973	80220	59885	40476	62747	20782	70794	40790	53442	54911	37012	80943	46503	1	47664	48527	48150	7315	38603	51300	52354	43442	44627	42631	46049	44122	45204	46103	50291	64661	69801	52367	6935	68567
606.2437@1.0817143	13620	14815	10823	1	1	12251	19023	17512	1	1	34568	34988	33724	33643	25457	26411	63114	58908	16311	9928	42775	42692	25992	28967	9125	1	52731	59435	54273	52106	22100	23831	64395	61196	43406	45675	40278	33001	37855	38256	1	1	1	9115	12552	12067	19824	20243	19753	16807	27061	26523	6147	7264	15528	13705	24470	23012	9926	1	22569	25709	13657	10739	7322	10639	31736	33011	1	1	10178	12177	1	1	17483	18363	26081	28888	15560	14132	18800	18407	28515	31573	33236	39094	15089	12218	36172	34079	11237	9375	12710	13759	22788	21151	44750	47939	18385	17453	27979	22473	27401	24098	11736	12259	25317	23037	26992	28002	1	1	12487	12212	10018	12048	24494	29425	18261	17254	12582	11606	1	17052	21999	22996	21784	20500	46833	43286	22437	21809	14852	16771	13668	11876	1	1	44799	47418	34198	41506	15020	17138
598.4564@1.0855111	10607	3519	1	21927	33249	37179	1	1	1	1	9114	1	1	1	1	1	25986	22938	16738	24486	1	1	15219	11859	1	1	1	1	1	3249	1	13740	1	1	1	18114	1	1	1	1	17609	5262	18169	1	1	19261	1	1	9727	6081	6404	14940	1	28374	17380	36628	24242	11851	1	12045	14667	14975	8260	10972	1	14764	1	1	1	7900	10116	4017	24294	23214	12090	12981	25632	8171	23842	22599	20541	1	1	32342	6878	1	16903	18465	15826	33261	1	1	12799	14658	22134	21689	14195	17646	7760	1	1	19436	16404	14348	29638	25259	21477	1	26529	25790	15386	9141	1	10266	1	1	1	1	13871	13835	13270	22416	25653	19310	3548	25912	13084	1	16319	1	1	1	22044	15624	1	21715	1	1	16628	1	29644	15969	22371	29316
263.9444@1.0814675	1	1	8968	1	11304	10395	10006	8972	9102	1	1	10931	9893	11010	8420	1	16210	13113	16015	9593	14702	14581	13890	17471	15582	1	19199	16412	1	15937	14162	15583	13587	13876	13217	13243	1	8029	12414	1	14998	1	11565	1	14053	11480	16192	15845	13614	11631	14421	14815	1	1	14929	1	11694	10911	15952	1	1	1	16304	10664	10560	9746	15464	16709	1	16881	15703	15611	1	1	13308	1	10431	13010	13914	10755	17917	1	14317	17153	14107	1	10941	1	1	11311	10170	1	7330	10802	12070	11749	13432	13029	16626	1	17472	1	1	13352	1	11470	12578	14284	13207	14687	1	11315	10878	8664	14944	12551	12453	14042	1	10836	14980	13080	12274	18255	15031	13754	12476	10416	15985	12825	9801	14309	1	1	1	8859	9790	1	15811	13527	8999	13293	11999	12754
615.3027@1.088	9905	11400	1	1	1	1	1	6085	12496	1	1	13536	1	1	1	1	1	1	1	1	1	1	1	1	9418	1	1	1	1	1	1	1	1	1	10173	1	1	1	1	1	1	11873	1	1	1	10348	1	1	1	1	5349	1	1	1	13373	1	1	9822	18834	1	1	1	1	10623	11312	8440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7420	1	1	1	12176	1	1	1	1	1	1	1	1	1	1	1	1	1	11049	9818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11173	1	1	1	1	1	6776	1	6640	1	3401	1	1	8923	14694	1	1	1
390.3478@1.0810335	50816	1	74868	261974	1	287556	238167	243806	213538	1	1	267993	1	440248	454477	4202	1	267595	1	54142	260678	1	48682	1	1	233333	1	1	1	1	1	1	1	63743	54641	61199	241924	1	238501	1	359211	373214	296345	256474	85402	83176	78855	307038	262167	73018	331260	76779	356500	307901	429952	326844	314314	368302	47260	1	206064	1	1	56697	55477	251425	1	1	1	1	35108	140241	51298	1	1	1	347290	298345	253079	193632	53609	1	231268	59462	1	1	323470	1	1	1	197186	1	1	171979	308008	94503	1	1	36521	157730	213831	211478	207563	156624	324437	1	1	76307	70925	68446	408057	427284	98369	1	1	80509	1	2977	1	1	297031	304078	409710	314616	58545	56788	64457	64979	227740	223010	1	1	1	1	228113	1	1	221074	65686	67533	1	3755	3137	361916
604.4994@1.0848719	1	1	1	1	1	1	1	1	1	1	4650	1	8517	1	22554	1	1	1	11487	4083	1	6149	1	1	1	1	1	1	1	1	1	6001	2956	3817	1	1	1	1	1	1	10560	1	1	1	1	1	1	1	1	1	9016	1	11895	12848	1	9105	1	15767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11146	1	1	7971	1	6456	5469	1	1	1	1	5710	13445	1	1	1	1	1	5929	8611	1	1	1	1	1	1	1	1	5323	1	3178	5256	4059	1	6847	4639	13311	1	1	1	1	1	1	1	1	8387	3522	1	1	1	1	1	1	1	1	1	7734	1	1	1	3393	3506	1	10059	3077	7265	5594
474.2892@1.0836054	9895	9540	1	13141	12472	14691	13151	14880	1	7749	19544	15549	13574	14783	1	15541	18225	15511	23333	17089	13001	11306	15873	16124	21737	14675	15830	14752	20993	19229	8698	6068	14673	14167	12419	12379	14963	16149	12853	12077	1	16350	10382	14168	13042	14325	14484	12975	12721	13929	14495	13184	15040	14125	18307	20607	16932	15407	19289	17161	15930	14752	18332	18511	16475	14308	16745	12551	19054	17371	16381	19486	14019	14559	9016	14653	15224	15353	15063	13790	16255	18897	17537	17069	14829	16656	24087	19718	19853	20421	14757	13347	13404	13144	22306	16942	18346	17034	14766	15189	19123	18254	22492	23258	1	17060	16684	16977	20857	17407	16886	15402	9869	13690	14921	14035	15934	14571	13052	13274	1	15305	14705	17755	19572	19630	26436	1	19041	26319	17388	15480	9733	11906	13980	14459	15698	13213	18449	19451	18564	17947	11390	16729
528.4173@1.0831287	23654	15053	23985	21303	18571	19578	13065	1	27785	1	21618	24515	24069	23856	38541	36337	21294	35408	15360	14058	7810	8567	72457	15603	11578	11146	24332	31472	35358	5192	10353	10802	26005	37599	18655	25339	23893	24874	65173	11710	24236	23333	93803	14828	28452	28845	1	86430	13980	14056	31386	110437	1	35113	20301	20968	14007	16354	26811	25501	1	1	17942	12873	98572	83224	15464	70957	7898	8958	8251	46910	15176	15311	64165	56260	14025	20124	20691	16303	14636	13461	19553	19650	42861	50008	19754	21824	25821	19899	1	31088	9950	9066	25396	24826	14958	14385	1	1	11118	10175	14141	1	19001	24892	1	1	28773	31383	19744	18912	11444	15363	14175	11213	12318	11741	65547	15620	29550	21898	17639	15312	21305	20875	18670	22952	12750	12095	13643	22164	18756	17804	5328	9045	7920	7691	22234	22942	28369	19683	18213	18038
663.356@1.0934849	1	1	1	7087	1	7102	1	1	1	1	1	1	11865	1	1	1	1	4175	1	2702	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6163	1	1	1	1	1	12503	1	1	1	1	1	1	1	4098	1	6207	8152	1	1	10219	1	1	1	1	4457	1	1	1	1	6363	7513	1	1	1	1	1	1	5940	1	1	1	1	1	1	5287	1	1	1	1	1	1	1	1	1	4541	1	6556	1	1	8007	7753	1	1	1	1	1	1	1	1	1	1	4315	1	9111	6038	10349	10540	1	1	12669	1	1	7872	1	1	6780	7243	5788	6371	1	1	1	1	1	1	1	1	1	5991	1	1	1	1	1	1	1	1	6446	1
226.0159@1.0800698	56065	46058	64536	42730	68378	139355	90414	70864	88002	103036	103266	94282	83541	96832	125591	132263	93639	126791	80044	108104	67738	75409	75361	98635	83676	86462	1	110592	69619	197568	87489	101493	128585	124043	118137	90806	122485	155981	94127	141085	99032	85267	92458	93451	84066	93378	76153	140004	158716	81326	101148	101127	120926	98398	88951	131386	101704	77386	71239	87868	97955	86889	117274	122410	148924	106560	122914	139691	80729	96223	83561	148618	69470	117058	58427	73055	67222	146011	175465	96582	98038	104294	89689	148539	78459	117944	75130	94727	112488	107488	107885	104056	121095	82817	111454	152437	94881	114882	64182	87949	92420	63852	66340	91907	69934	80663	93476	118063	106590	107140	87102	142302	105405	107084	90897	112154	65638	94562	125911	114783	84714	98010	102318	172872	132482	133993	111115	109362	105661	107000	141662	116779	78861	116060	139257	105258	82158	128809	106350	109994	67835	94432	81928	89962
424.3536@1.0835376	54264	44097	96979	73429	89566	1	74868	73770	72998	76380	57163	56943	86523	1	92384	114265	75338	61980	66388	63249	71670	66447	56226	53985	65262	66167	44963	27097	71030	42966	54845	53105	90038	91665	66575	82533	77014	77407	70413	74498	119555	123488	71656	80214	1	109219	93159	94542	61756	82066	1	103037	78689	76477	1	124517	1	76462	66572	61873	68328	67496	1	73116	59279	61800	72733	58891	29319	40907	39931	43936	52294	55591	32310	35958	90417	95474	77845	81096	48436	46515	62382	60768	27904	25895	112064	104212	1	124654	80822	76440	67938	57026	109798	90153	53563	50709	45769	43670	66829	62143	66800	66914	83696	72939	98655	93884	99409	97311	1	210858	141035	128708	91993	94264	92810	97350	59297	54579	110754	114888	94359	93761	73610	73805	70099	1	77429	74794	49981	51526	45232	49955	100438	117328	103725	100956	1	79587	89743	1	77361	79347
504.2758@1.083294	1	1	1	6099	5885	1	1	1	5550	4565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3556	3320	1	1	1	1	1	1	1	1	1	1	1	9638	1	1	1	6804	1	4798	1	5569	1	1	4536	3724	1	1	1	1	1	1	1	3779	5091	3585	4305	4535	1	5137	1	1	1	1	1	1	5489	4346	1	1	1	1	1	1	1	1	1	3710	1	3772	1	4858	1	1	1	1	1	1	1	1	1	1	4360	1	1	1	1	1	11708	4959	4008	8391	1	1	1	4357	1	1	1	1	6617	1	1	6633	1	1	1	1	1	3293	1	1	4430	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4069	1	1
554.2939@1.0819355	8141	8140	21142	17399	25623	1	12439	17408	20171	1	8908	1	13352	17069	13634	1	1	11176	23292	16322	8828	1	11663	16664	9016	8664	6581	8188	5050	1	1	15108	25434	1	13159	17555	29215	1	1	35278	1	27131	1	16179	21427	15850	15248	20800	11242	8050	18916	15141	12892	16019	15607	13445	1	14950	38296	22866	25989	23769	7114	37469	11112	12351	8455	1	9577	1	22808	11165	1	11349	1	1	1	7397	4916	1	1	13396	14576	19138	14397	28926	11557	13428	11506	13381	1	1	1	1	14132	11556	14108	11130	5359	9269	12591	1	22146	21950	1	13688	14604	17059	19238	17107	1	10734	10944	1	15004	13613	15659	15787	16129	12208	12892	16602	1	5305	12153	8298	28300	1	10394	11253	9092	12370	1	1	6419	18299	1	13283	8856	1	14658	16792	15380	12989
Proscillaridin A	34655	34151	74778	73734	1	86299	49477	39082	57506	59539	66024	63949	57192	59235	57928	57332	66726	70309	73384	71840	36654	36407	44599	43969	45819	45059	39166	40077	36344	35725	30693	28325	55458	54083	42385	41601	79390	62305	1	1	59846	60748	43382	43737	51298	50038	45173	44438	33724	32050	41699	40095	39991	38695	50214	48318	44071	47001	36419	43529	46176	45167	50842	52571	36992	35108	34017	32458	39715	40400	41653	44139	28961	29461	18382	17051	49162	46577	1	1	36315	37081	35822	39445	1	35505	46733	48100	49025	49928	26333	25105	23710	24332	1	1	41479	41690	35069	37901	36024	1	48032	1	36657	35843	44778	41824	44010	45277	43126	45369	1	30159	59079	1	57374	59184	38826	31891	47424	49150	44896	42498	48835	51375	56973	57783	35719	34589	31856	38257	17429	18134	1	46757	1	1	40956	38130	52317	1	36567	36479
584.262@1.0829712	320133	316269	180031	169244	198921	194384	460672	445158	127491	126588	495470	503929	1154491	1126169	960240	972587	668750	657816	140177	144128	740889	739722	400777	403746	165668	163653	576706	576499	491864	502706	408744	421604	1113059	1109810	843724	863623	731728	723106	636737	640038	73903	72876	147584	151834	232057	231935	334142	342766	325809	337800	645773	642840	156231	163003	271248	263151	463512	470989	183280	174289	281323	281554	156903	156038	140305	140961	519618	512716	36682	34480	118658	114297	1	1	177489	172879	452818	458478	241804	244164	232769	237669	690771	660882	404506	396147	186848	185116	727108	726141	244505	248399	299661	300622	707787	699106	502001	509335	221039	217259	231724	220070	273847	277875	204096	196441	393559	388821	461676	459795	256818	252706	508871	508004	245682	243619	585898	608810	329768	320871	230218	232639	246828	244438	317969	309116	272442	277486	832779	840701	404308	399125	231992	237004	367692	357819	38594	40324	1062365	1070645	755219	755469	345064	340110
1190.5085@1.0816611	1	1	1	1	1	1	6121	6280	1	1	1	6483	30220	29661	23597	21609	9021	8989	1	1	16844	14842	4573	4617	1	1	8958	7322	7507	6161	4409	1	24790	24053	19202	17568	14886	15590	12044	12120	1	1	1	1	1	1	1	3595	1	3697	11350	12629	1	1	1	1	6910	8364	1	1	1	1	1	1	1	1	7567	9029	1	1	1	1	1	1	1	1	6594	6254	1	1	1	1	14916	14798	1	1	1	1	15337	16863	1	1	1	1	16424	18241	8350	6889	1	1	1	1	1	1	1	1	1	1	5839	6384	1	1	10022	11893	1	1	12081	10387	1	1	1	1	1	1	1	1	1	1	19868	18196	6231	5030	1	1	4390	1	1	1	28838	29309	15145	15601	1	1
600.3927@1.0815831	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22324	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12850	1	1	1	1	1	1	15908	1	1	13958	1	1	1	1	1	1	15086	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17062	1	1	1	1	1	1	1	1	3389	1	1	1	1	1	1	1	1	1	17243	17409	31108	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
713.3912@1.0857382	1	1	1	18572	1	13148	1	1	1	1	1	19355	19328	1	1	1	1	1	1	1	1	1	15509	1	15333	10386	1	1	1	1	1	1	1	1	1	1	9090	11295	1	1	17319	20453	11709	16418	1	1	1	1	1	1	1	16193	23151	1	19920	1	1	1	1	1	1	4160	1	5019	1	8941	1	1	1	1	3623	1	17101	16979	1	1	1	1	1	1	1	1	4206	1	1	1	1	1	7214	1	1	1	1	22266	13518	1	1	1	1	1	1	1	9404	1	7965	12876	1	1	14504	13421	1	1	15828	1	1	1	1	1	1	5423	13413	1	18591	15318	1	17278	1	1	1	8919	1	7378	1	12907	1	1	1	1	16990	8205	1	1	1	1
506.2941@1.0845064	4028	1	21550	16765	16022	47886	12319	1	15339	6986	4363	6575	1	15655	12952	14107	7830	1	7339	1	1	8263	18439	5576	14247	6368	1	1	1	1	1	1	14555	19727	1	22777	27114	24931	28958	27908	10523	6777	5976	14109	17503	18116	18930	18044	13863	1	1	20449	12616	1	14004	14232	1	5432	1	1	21239	7339	1	17532	1	1	1	1	1	1	8384	1	1	1	1	1	1	17316	14269	6159	12102	1	6469	5679	4973	1	1	1	10872	1	1	1	1	1	11237	1	1	1	8728	1	1	1	9081	10511	14770	1	1	11165	7736	5364	12618	13117	1	10134	11001	1	1	3756	1	7735	1	18527	1	7480	7515	1	21661	16753	6369	1	1	1	1	1	1	1	1	31935	12716	1	14558	18255	8492	4831
434.02@1.0875456	1	1	35194	1	29567	51374	32557	6010	28626	10184	1	40842	35864	9192	50553	60860	1	1	39599	46485	1	39941	44009	1	41104	1	14997	1	43749	1	18522	42488	54454	58739	44608	41909	51938	67819	47428	1	48640	1	45114	51425	1	56462	40633	56759	38866	1	51838	59467	38551	55351	1	66971	34546	1	45878	47744	17802	42173	1	35110	60966	39813	38350	46433	1	35525	36827	44646	40545	44320	1	1	34994	1	56992	1	37276	1	40143	44453	33791	38234	1	1	8199	35532	35945	1	37609	38693	38077	38498	30865	39082	29562	1	1	31881	1	32290	1	1	41108	51737	34653	50103	25162	46005	42565	13688	37547	36918	28994	32686	37459	45895	1	44956	40817	1	9379	53730	38018	56795	43615	44112	40394	52763	26806	35406	1	55623	1	44859	33458	32708	35927	41374	23055	39838
604.3514@1.0829599	1	8494	12430	1	15970	14951	1	1	1	1	9872	1	13991	1	1	13286	1	1	1	1	1	1	8069	1	10377	8101	1	1	4594	1	1	1	12475	9965	1	1	17849	19042	1	1	12269	14637	1	10817	1	1	1	1	1	8364	1	1	1	1	8862	7582	1	1	1	1	7504	1	1	1	1	1	1	1	1	5453	1	1	1	7318	1	1	1	11204	4429	1	1	7057	1	1	1	8777	1	7137	9990	1	4853	6658	1	1	9231	11630	1	5381	1	1	1	1	1	8978	1	1	12975	1	11466	11493	1	14022	1	1	1	1	1	1	1	1	1	1	1	5917	9345	8307	11575	12035	1	1	10945	10505	1	1	1	1	21980	1	1	1	11337	1	1	6739
448.0701@1.0797274	68382	70541	95454	117921	99616	136908	86668	110101	117155	167656	155994	135318	120300	134445	184575	212163	131868	141204	126397	152497	95341	125480	122413	130550	125618	133987	109443	174819	102995	184107	105299	122227	159282	176544	119438	129183	135953	188028	143265	165878	125880	140861	117874	143142	137385	152600	115483	170107	139849	124469	121549	164086	180517	158516	134519	173508	109622	122034	102588	142897	147637	143880	177894	131393	227269	154283	130635	141832	121745	167240	118365	163909	90390	129353	89937	117338	100810	224497	243115	157389	131731	135229	115974	143490	109922	149511	88981	127216	89793	81314	117817	127985	116900	119986	124454	144615	107649	174782	109872	119996	87521	87569	104272	131153	92726	116330	143799	192616	103391	138804	101264	143270	147531	139875	126727	158416	81786	117140	109977	151173	1	159653	116346	187901	191086	200926	124883	170388	155119	155154	150677	159043	107897	125055	146324	191512	112844	139218	102327	130975	111012	135800	106269	134265
226.1922@1.082857	1	1	1	1	138184	10437	1	1	6637	1	1	25298	1	1	6353	4890	36248	6239	1	10434	1	1	10858	1	1	1	1	1	1	1	1	1	1	1	12636	1	1	1	1	1	11344	15771	8135	1	1	1	1	1	1	4568	6700	1	12265	7596	10052	19596	7492	1	2865	1	10036	1	1	10439	1	1	1	1	4944	7263	1	1	1	1	4632	1	1	1	1	1	7065	1	9217	6550	1	69189	1	12576	1	14247	1	1	1	1	1	13852	1	7551	1	1	1	8682	1	9430	6140	11064	17684	18571	31499	22181	1	3886	1	14256	1	1	1	1	1	1	10334	6665	12776	12735	15476	1	13946	15330	1	1	1	1	1	1	1	20272	9160	17213	1	11757	1	1	1	1
654.3843@1.0814999	34821	36295	78534	1	77686	68320	55668	53742	51652	48448	40934	54670	63869	64730	1	76301	52307	29670	59707	59551	25934	1	44429	41251	67089	55030	1	1	1	1	11903	26239	38634	35785	1	31255	1	149195	31792	104964	59097	35269	32289	1	47751	52808	43693	42855	30919	32793	23888	43598	63883	70966	21443	38280	1	35969	18961	39305	17694	34412	36607	39660	28851	1	1	1	22491	12847	59299	46664	49400	61889	12449	1	45698	46484	40969	41168	36304	22934	1	30512	18938	12609	27069	14655	37917	35788	33656	19587	40317	39305	21309	47817	1	42899	31242	25999	30119	49139	45703	47718	35491	38035	1	31055	40325	39069	62312	64629	55476	59235	145302	93138	121499	1	31231	46960	28128	56673	22362	1	45610	51279	71214	1	47278	48706	57496	59587	30655	31874	127732	159485	127532	1	41618	44525	56581	60421	42826	46178
594.3213@1.1008158	1	1	5424	8388	6330	1	1	15221	1	19925	1	1	7174	1	1	11958	1	1	1	1	1	1	9787	1	1	1	6517	1	1	1	1	3663	1	4289	1	1	5654	1	1	1	4091	5888	1	8137	1	7527	1	8245	1	6221	1	1	1	1	3432	1	1	1	6950	1	8637	5888	3795	1	1	1	1	1	1	1	1	1	1	4921	1	1	4296	1	1	1	1	1	3199	1	1	1	6270	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5592	1	4347	10842	1	1	1	9032	1	1	4211	1	1	5560	1	1	3733	1	1	1	3914	1	1	1	2594	1	1	1	20935	1	1	1	1	1	1	1	7251	1
228.2085@1.0822413	1	1	1	1	1	1	20494	8117	21406	19261	11245	1	1	1	11377	1	14897	16913	12957	13351	7556	1	10451	7719	1	1	1	4430	1	1	1	1	1	1	1	8870	13086	1	1	13166	19859	18920	10333	1	10305	8483	1	1	9111	1	1	13514	1	8355	17184	1	9491	1	1	1	1	1	1	1	1	9753	8952	1	1	1	1	1	1	1	1	7808	11465	1	1	13265	14498	14133	1	10623	13475	1	1	13590	15992	15135	1	1	1	1	1	1	14356	14513	1	1	11666	11003	13831	12605	12015	11581	16598	14372	14423	13690	1	1	1	1	1	1	1	1	1	1	1	1	11641	1	15447	15530	15205	14996	1	1	1	1	1	1	1	1	1	1	11856	1	1	8243	1	1
546.4267@1.0927587	1	1	1	1	1	81974	69612	1	1	1	91636	92181	1	1	136278	138365	73934	1	61734	60825	1	1	16468	49624	1	1	1	1	37061	1	1	1	1	1	1	1	1	1	1	1	1	91705	1	1	1	1	1	23843	1	1	1	1	1	1	1	114641	1	1	1	1	1	1	1	1	1	1	1	18450	1	1	34538	14533	1	1	1	1	1	1	1	1	1	1	54486	1	9423	1	1	26662	1	1	1	1	1	1	1	1	1	15585	1	1	1	1	59882	1	20332	1	1	1	1	23914	1	1	1	1	1	1	114914	1	1	1	1	1	73478	1	51941	1	1	1	1	1	1	1	1	1	1	1	34426	1	1	1	1	1	1	1
524.4408@1.1066622	1	1	65639	1	72776	1	76118	1	88694	1	1	1	93125	112962	110754	82867	1	1	1	1	1	1	1	1	62976	23907	38618	1	40231	1	1	1	1	83865	39275	25299	50172	30127	12443	13846	1	1	63028	69538	90061	70558	1	1	63804	69879	1	1	1	1	73779	1	1	1	70076	111402	1	46466	30337	23195	1	65860	65841	66808	27780	1	16943	10921	69193	38154	1	1	1	1	1	51650	1	41849	36237	28245	1	21622	1	28880	1	40783	1	36788	27587	1	81845	81520	38034	1	1	24509	1	1	29220	37383	1	60758	1	1	104520	66172	74656	1	102361	41817	1	1	48675	1	1	1	1	1	58902	1	39530	1	1	1	1	1	1	55864	30559	1	51820	94638	1	89727	43716	47749	1	1	1	53641
26,27-diethyl-1?,25-dihydroxy-23-oxavitamin D3 / 26,27-diethyl-1?,25-dihydroxy-23-oxacholecalciferol	110182	115721	182855	197830	165805	162485	139954	133420	132173	133729	171029	161466	204829	218014	250594	256415	160566	160426	131876	128473	88019	101556	93580	98895	104038	98779	47285	49612	45315	41096	127722	134264	175345	184012	160758	154907	145642	156288	114282	130109	201129	191285	141966	139043	192735	180636	137924	142898	116008	110642	186883	162970	162925	177676	312569	262284	213637	208012	372009	413569	112434	105075	130146	130761	141496	161677	146921	137332	50613	46007	56099	58730	139894	136819	72161	69846	125224	130043	100303	101250	130433	115363	141104	143039	97932	106795	167468	166353	215077	215152	84061	79931	59914	63200	237094	238943	118724	112113	91621	85595	94002	95997	98051	90360	198325	218525	173561	183767	227350	227629	159015	143586	139577	152103	225254	212166	234410	233419	163751	147675	204712	192480	145796	146128	150093	151465	153031	137271	94084	88567	85195	88851	150994	152961	55363	55510	55692	54227	169093	166198	179837	178854	235997	239440
522.4262@1.0894126	120275	220563	230073	194778	222761	246166	172918	234799	219982	334620	241646	175303	326453	289383	295210	321899	181390	232087	157010	169233	135883	188229	158072	187641	141873	207128	81882	115389	83474	101508	227930	230396	259825	215106	183786	208296	159677	182655	105261	155819	344392	303825	70448	202098	248032	245320	210821	216455	188833	154287	194508	261929	239734	281076	231242	276302	190062	251854	227635	257047	1	87891	149876	162111	301656	195223	209773	144445	48620	75045	89459	73809	181784	155062	92828	111413	204113	234411	179884	112961	192719	152887	167947	156738	89286	98629	277310	274720	365539	284494	134946	193310	104133	91766	248940	245184	114458	146022	127741	117751	131961	113857	106830	105335	266403	211490	379413	324506	263201	214065	359900	368717	246613	315194	184014	265081	241312	240671	207614	191103	190693	251386	141954	191578	134659	152397	206424	212895	234081	183400	193536	181107	138790	214306	264079	208009	160677	132047	240485	213130	279639	249811	266845	204554
501.3881@1.0849999	1	1	1	1	1	1	1	1	1	1	16042	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21017	1	1	1	1	1	1	1	1	1	16781	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17088	1	1	1	24525	23823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
576.4735@1.0861635	1	574519	923559	965639	734298	788375	878714	423874	400408	402700	684388	841294	1269874	1265618	1837414	2004323	634444	631624	582687	578560	394645	391661	513406	513665	777886	803421	68563	73071	77562	74802	305794	307374	686016	362707	622111	352292	672140	786656	1	413273	706093	868340	626812	638384	785297	719047	512599	511017	461481	526381	666854	734402	1	863922	775501	789080	440171	257865	651038	648962	385517	199102	379821	382236	522630	321708	439872	429016	115255	136486	195538	324052	692248	1	280173	31659	1	632328	543083	408722	474865	429353	1126013	1	84090	1	488998	477658	888063	507159	823476	829906	621942	743940	1328966	1	338372	1	269330	275214	269531	1	1	1	1	411211	314267	303993	433979	437736	829510	834263	925227	1026889	1	1	1	1	491049	1	1	494022	757577	746455	520776	524713	614338	503594	646678	627131	683891	327202	1	1	577547	512427	616888	1213199	718909	724344	767752	775713	1	860869
578.489@1.0856428	1	1	1	1	1	1	1	466521	419579	523770	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	70491	78480	80332	76881	1	1	1	230870	1	318417	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	215162	1	1	1	165025	1	1	1	276029	1	1	98143	1	150446	1	1	1	1	125971	1	1	1	1	1	1	1	1	72250	1	1	1	1	455089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	387163	383581	287055	273935	583108	559119	1	1	1	1	1	1	1	1	1	357776	1	1	1	1	1	1	1	1	1	290946	1	1	615362	597666	616399	1	1	1	1	1	1	1
628.3668@1.0840001	1	1	1	1	1	1	1	1	4959	9326	1	5418	4311	5123	20099	1	1	3915	1	18510	1	1	1	1	4293	16728	1	1	1	1	1	1	1	1	1	1	1	21988	1	9689	13726	1	1	1	1	7375	1	1	1	1	1	1	5248	1	1	1	1	1	4793	1	1	1	7364	6417	1	1	1	1	3218	1	4937	1	1	8052	1	1	1	5773	1	1	7148	6023	3645	1	1	1	1	1	6686	1	1	1	1	1	1	1	1	1	1	1	3386	4626	1	4101	1	1	1	1	1	5930	15627	11261	1	1	1	1	1	1	1	3237	1	8925	1	1	7282	1	1	1	1	1	1	1	1	1	17531	1	20985	34504	1	1	1	18031	7377	1
544.3141@1.0839686	4259	4832	6954	1	8475	1	6498	5710	6407	7608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7127	7151	23735	23904	1	1	1	1	9065	1	7174	1	1	1	1	1	1	6937	5455	1	7016	1	1	6632	4704	1	5760	1	4620	1	1	1	1	17838	5674	1	9338	9206	9094	8872	8533	7100	1	1	30582	30150	1	30016	1	4291	8321	1	1	1	8382	1	8068	7208	1	1	11671	9246	6519	1	7965	17140	4095	1	4207	1	1	1	9757	1	9193	1	10292	11304	1	10338	5519	5810	10797	1	1	6073	1	1	1	1	10870	12798	15878	10907	1	1	1	1	1	7812	9238	8277	7665	1	1	1	1	1	5849	4754	1	1	1	1	1	1	1	1	1	4758
274.1919@1.091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3138	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14443	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2685	3874	1	1	1	1	1	1	1	14541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4192	1	1	1	1	1	1	6249	1	8228	8503	1	1	1	1	1	1
442.3627@1.0874001	1	1	1	1	1	1	10757	1	1	1	1	6154	1	1	1	1	14971	15348	11946	10290	1	1	1	1	1	1	9475	8979	8994	10753	1	1	1	1	1	1	1	1	1	1	1	13274	1	1	1	1	22887	19301	14214	15437	14606	13256	34601	30833	1	1	1	1	1	7528	12604	11091	1	1	30187	29943	25678	24148	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11470	11039	1	9260	1	1	1	1	1	10776	62603	1	42945	43186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11896	9635	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
548.4418@1.0915581	96000	55089	102092	99685	90056	91010	82270	81783	81482	83018	91376	96394	124186	125315	173161	154246	77299	78777	66170	67059	16022	27908	65988	67043	85915	79463	28565	27232	27799	37329	68150	1	73337	91514	71711	57364	70925	76228	24499	57594	114171	116235	78786	83252	91766	83809	79834	78588	68307	68250	94264	57871	82197	102809	98576	108144	75676	57986	103239	78982	51770	50221	46501	58588	84565	82738	66390	69628	38684	34621	16361	41148	1	91778	43057	36951	79043	59597	67206	27751	56485	1	98465	95581	29106	16549	72558	70740	103829	104196	103928	84139	54443	69594	127454	159780	49857	47676	21804	39504	38489	51690	49389	48753	84452	44348	72809	86888	91684	77433	152701	153000	102229	1	108573	1	85740	110633	85225	71465	68416	99083	79242	59641	62035	62542	69039	71393	89463	87895	90713	90496	1	80057	107486	106280	125765	126006	89164	90567	90514	78513	99431	40004
679.4283@1.0857574	1	14716	1	1	1	22765	1	36830	50159	41683	19749	19489	1	35897	1	1	1	16427	1	21835	12444	1	24691	25245	1	1	1	6946	9222	9842	1	1	1	1	24383	25178	55910	1	1	38168	24876	1	24086	1	26009	1	1	1	25286	21746	1	1	1	1	1	1	1	15145	1	11201	1	24554	20831	18096	23593	19621	1	12784	12818	1	1	1	1	15347	1	1	1	21576	17913	16492	20529	18763	1	1	6368	1	1	8279	1	1	1	1	1	1	23691	19810	12407	1	1	1	1	18456	13648	1	1	1	36802	29016	19366	18701	1	1	39770	1	9026	1	1	13750	1	16678	31679	27165	1	1	1	16917	31337	1	33869	1	38071	35737	1	1	1	90628	1	1	1	1	22959	20411	21079	1
598.3236@1.0861263	1	1	34450	16551	35758	34419	1	4206	1	11793	13575	9757	25848	1	13934	23198	12112	1	6577	1	1	1	1	30385	23290	1	1	1	1	1	8857	1	21515	21682	1	1	46574	58971	1	1	31669	34521	1	1	34688	26280	1	10964	1	17923	12144	13581	13221	13930	22027	12908	12684	5109	1	15123	25072	33889	1	15008	1	1	1	1	1	1	9912	10851	1	20508	1	1	11929	20732	1	9806	1	1	15326	1	10144	18366	1	1	1	1	1	9225	1	1	1	32049	18889	1	1	1	1	1	14628	26696	8236	11893	1	1	22038	20197	20917	30483	1	1	18863	18539	18851	20055	13785	14857	16335	14690	11108	16960	20652	21690	28142	1	1	24809	1	27505	1	1	1	1	51074	1	1	10081	32310	15043	5289	20193
306.1254@1.0832354	1	1	5158	1	6170	1	1	1	1	1	1	1	1	1	5682	1	1	11762	11451	11632	1	1	1	1	1	1	11553	20865	14736	12760	1	1	9292	1	1	1	1	1	1	5095	1	1	1	1	1	5995	4942	1	1	1	1	1	1	4439	3748	1	7252	4542	5112	1	1	1	1	11287	11667	4924	1	6451	18089	23552	1	1	1	7730	1	1	14893	1	1	1	17630	23783	1	1	1	1	1	11572	3911	6595	4874	1	1	1	1	1	17707	6374	1	1	1	4342	1	24459	7801	1	13329	16382	13943	10980	1	1	1	1	1	1	1	6649	1	1	1	1	8263	14821	9038	12593	16648	1	1	9252	1	1	1	1	1	1	1	1	12343	10875	1	1	1	1
386.1753@1.0684549	28817	25827	27134	20004	56591	56127	70512	66110	129200	46879	1	38127	37783	40060	43516	44729	1	1	1	1	41094	29701	82294	81382	65716	62141	18132	22112	8871	1	74403	92559	24643	31684	27411	16864	10072	36938	10104	8654	1	1	5754	1	83029	95116	13181	13353	9736	12899	57480	76105	51940	49882	8085	9068	30056	1	64670	57702	40917	14939	60366	15525	13229	43312	14287	13233	76680	83220	48912	32089	31156	31051	36668	21751	71495	71147	29524	35115	35369	12178	13935	13754	71357	72935	91537	65837	61009	37306	63574	34055	58958	44071	108819	79792	28397	47443	32156	10095	49121	31691	47433	32890	20578	40546	12108	90693	65418	85553	30893	32322	32102	23067	42370	29050	54622	44044	84087	83271	45076	14706	20386	46300	349237	279180	330665	287920	42407	34960	57526	51268	48521	39482	185151	172444	169778	164315	68873	15161	69826	68949	19671	53746
1?,25-dihydroxy-11?-(2-hydroxyethyl)vitamin D3 / 1?,25-dihydroxy-11?-(2-hydroxyethyl)cholecalciferol	12200	40339	31741	31815	28067	29973	47426	1	21820	1	66962	25849	36705	33744	94206	36682	59220	29448	24908	50254	53863	19247	32791	34185	41009	1	1	1	1	1	25395	47142	56836	57432	23067	37347	34284	51359	56352	55503	1	82535	24184	47485	26610	25815	48153	63583	56398	56767	86814	31491	38424	31192	41914	1	89607	39733	25791	25711	22546	15283	54607	40531	55927	22753	31570	35131	1	28300	19764	30051	15385	30912	12771	11225	80230	58991	46008	56192	24824	53101	46804	56714	10771	9212	30153	33323	38481	35979	22026	57431	36650	17054	40138	42742	44805	20238	30433	35412	57325	20627	22636	57580	70664	29484	28809	68744	38091	44808	37242	28667	27126	29034	22817	23313	29232	1	28537	71725	100406	89493	61564	70404	63042	65065	31120	54101	25257	53343	24176	22120	27167	19123	10220	40412	44178	14752	36145	39509	40423	38678	37304	37304
624.5289@1.0885001	1	1	16000	16803	1	1	49825	15920	14550	17525	10795	1	1	61733	39149	38532	1	1	1	7979	1	1	33232	1	10727	10372	1	1	1	1	1	1	46623	15437	1	1	11819	11209	1	7635	1	1	35690	1	38270	1	7660	7936	6698	7110	1	12147	1	15042	5004	1	1	11764	1	1	8900	1	7299	1	11457	13586	1	10500	1	1	1	4843	5660	1	1	1	1	1	10634	1	1	1	15343	1	1	1	1	1	1	11080	14988	15539	1	13230	1	1	1	1	1	1	1	1	1	1	1	1	15363	13041	1	14831	1	38607	1	29352	1	1	1	1	5177	1	1	12135	1	1	8430	1	1	10046	16178	14891	14768	15629	3168	1	1	21107	27546	25725	13929	1	15573	15724	18687	18829
249.9288@1.0849069	1	18250	1	23669	24342	22336	21765	24801	22178	1	28942	23622	23988	22504	34588	1	16294	39937	39073	38004	27896	32786	36558	32806	32251	29330	34059	20945	41129	1	28864	1	41035	36287	37279	39597	27476	26377	25145	22115	28665	27752	32511	30794	32339	32730	32685	34631	31393	34879	34618	31792	27830	26759	32566	34058	33389	31926	30878	29371	32304	31864	31977	30035	23416	27235	33860	34381	37734	32121	28417	29079	23287	1	35506	1	29260	27905	29800	28825	27071	27615	30040	26924	33543	31843	30088	28220	25577	24808	23183	19149	19299	1	22263	20921	31401	27905	31480	31548	34260	34902	28070	32488	28859	30628	1	30694	31697	34037	21488	21910	23027	1	28262	27527	21201	29032	23023	18450	1	27354	34461	34249	22454	1	29266	28137	32201	30876	28372	24936	26313	32449	1	17956	18903	19023	27469	26027	28133	27603	27391	27213
C27 H59 Cl N10 O	896380	338922	551303	1	387248	234405	382606	288077	264004	273518	481094	492554	1	373497	950649	888331	437076	463922	322131	315265	1	1	247382	251012	299790	295527	51612	49858	56314	54374	1	1	293648	296021	257865	259996	465589	471889	728427	317268	492430	486626	399776	406012	369750	371425	368394	377529	232699	245713	416947	410592	1599567	597878	550444	1	1	374697	372589	1	183503	182541	225442	226102	1	226514	174602	173606	104245	106712	111572	168013	396255	912990	167722	251372	936640	323355	334038	329253	298704	298004	908052	1822720	62973	231420	285933	294477	450750	437370	321144	316787	354993	362435	1030069	2508600	277464	665484	172171	165329	302376	663409	521663	584542	802831	374851	217059	209888	404075	397576	574479	522834	562206	277110	3280542	3246142	2462052	2620340	342339	679634	1128681	504056	487352	473555	431370	419412	342463	347832	251942	181038	298928	294315	941947	941912	232999	231480	249393	249283	405755	400936	376898	379153	1239850	475726
532.3749@1.1092612	7448	12045	14591	20346	1	15559	1	15035	1	16890	11626	1	22857	17669	1	87246	1	12327	16014	18941	15346	1	24109	19757	12721	24224	18901	7558	9219	11226	21268	142360	19676	28402	1	24863	1	16788	17403	19097	19984	37179	1	21351	1	18805	15593	24854	15955	24855	1	1	23541	26266	21358	1	1	24588	52029	1	1	16269	22124	31899	22822	75095	1	1	1	5315	1	1	17989	10508	14886	1	26910	13129	1	24139	14883	1	16651	30767	5156	1	36195	67429	23926	19724	18786	15145	5651	18717	48109	35996	14857	18259	16725	1	9358	12043	11950	1	49606	13307	46250	51228	27759	42866	40759	34408	44581	1	110123	1	28667	1	14959	11435	29057	26091	1	23857	58256	28047	13087	24629	21485	19706	11718	19658	21975	63218	31431	11128	23050	41352	12324	9013	10917	48100	1	13854
396.3213@1.0885445	10666	11919	21718	22842	20849	20121	19721	22102	18772	34976	12870	12581	23311	20691	21953	27285	12869	11237	11780	10227	12218	13278	9593	9044	15087	11402	1	6490	4918	7272	33238	35997	14203	17270	12283	12723	19501	19567	10755	21488	1	32247	12765	14571	14720	29107	18038	16021	12936	16642	21418	18324	30435	14636	30729	31361	16949	24723	19959	19038	11981	11925	14457	14904	1	15784	12858	12297	7381	7556	6994	6254	20290	16478	6580	6734	17616	16790	15438	15465	12916	9020	18975	13210	1	1	21426	15001	18337	22487	8560	21290	10409	22260	21379	23506	10075	8149	8740	1	8183	11081	11039	11120	16205	19566	15953	16399	16642	17184	22361	22755	22022	17759	1	16641	22118	14179	15150	19171	19224	17458	1	18201	11907	11783	13705	15075	13268	14630	12778	12976	11522	1	13140	10087	10573	1	14751	17316	15445	16338	15608	15815
622.5086@1.0901101	6974	10070	15805	11536	12010	25857	13299	11041	1	17093	12192	23346	28156	28400	40217	48854	12874	18425	1	11084	1	1	10990	1	17730	1	1	2581	1	1	1	1	12495	1	1	13583	17864	1	10666	8875	19435	19108	13443	1	15223	16733	11419	13150	1	9889	1	18967	18583	22216	10102	1	1	11193	1	16622	8207	14466	1	19253	1	1	1	1	1	4018	1	1	1	9784	1	1	16244	13104	13076	12709	10452	9032	20036	1	1	1	12107	15541	14510	1	17393	17918	16512	18565	1	19406	7040	8723	4949	1	12204	1	8781	7701	1	13561	13035	13867	14637	12268	39666	33148	31299	26571	1	1	1	16891	7928	8299	17937	19873	13143	13129	10166	13186	1	13940	18759	16996	16439	17572	1	12450	18573	17564	24406	23733	20558	15528	34855	17304	21242	19307
676.4235@1.086865	1	1	1	1	32002	1	1	146113	182453	158333	76479	1	158229	1	1	1	1	62138	1	1	1	1	1	1	218070	205798	1	1	40098	1	1	1	1	98635	80293	87577	1	1	1	1	1	1	1	146522	1	131408	1	1	94049	1	1	1	1	1	1	1	1	1	1	41106	1	1	1	1	70993	1	39246	1	1	1	1	152415	1	1	1	1	123460	1	1	1	1	79524	1	1	1	1	1	1	1	1	198706	1	75243	152449	1	1	1	1	1	1	1	1	1	1	1	1	1	95141	1	70256	244242	1	1	199055	1	1	20677	1	81064	1	1	1	1	1	1	1	1	1	1	187908	170486	167635	1	1	504357	1	1	548288	1	1	1	1	73875	1
494.3953@1.0883051	138509	174490	212279	213870	214546	225213	289144	287616	315305	329229	171447	186483	340787	318795	285178	371897	171715	174819	158505	152433	170876	175821	180202	183105	209498	208946	102140	102053	98273	96243	164030	166733	228956	231903	98203	219846	230265	187139	200852	204719	366108	367249	267363	220098	338688	338494	221676	259692	246404	257869	275800	276329	278937	281969	351703	337932	288161	245371	73652	234908	204629	207467	239926	229352	277842	283358	251620	245480	52026	49437	54178	57104	210630	210459	101014	113664	194266	197031	97922	167526	175001	176166	167354	207725	87737	86735	280141	284701	325658	329491	164122	234221	118919	174649	296388	304342	139452	134710	126604	128209	145237	128799	135003	115758	239542	193649	306834	192525	277169	278217	503012	423865	475795	475431	259621	253816	255322	252578	209566	212054	349160	357998	204719	264662	126645	183240	204215	209012	162268	222609	165977	160171	157040	148446	361743	334685	286339	266176	218674	220174	239134	241624	257645	219538
580.5034@1.0896218	1	1	1	1	1	1	1	1	169056	1	114264	1	1	1	1	1	106431	109147	1	1	1	1	1	1	1	1	1	1	1	1	46609	47638	1	112804	1	1	98778	1	68153	66119	108573	1	1	1	1	1	74146	75637	1	1	1	1	1	117267	1	1	63001	1	1	1	1	1	1	1	1	1	1	1	1	32744	1	1	1	93787	1	1	1	1	1	77478	1	1	1	119968	1	28251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	48800	1	43073	1	76872	77773	1	1	1	121623	183594	231693	171774	1	98319	94436	76895	1	1	67323	125372	1	1	1	78971	78251	1	1	1	1	1	1	67843	69530	1	1	1	1	1	1	1	1	1	1
570.4264@1.0924246	1	1	1	1	5255	8097	1	1	1	1	1	1	10091	10447	1	7389	1	9102	8875	1	1	1	53503	1	1	1	1	1	1	1	1	1	9519	11057	1	7855	1	8674	3571	6980	11187	8876	6528	1	5913	1	45227	1	1	1	8569	9236	4704	1	1	4422	1	1	42021	9905	1	1	1	1	1	1	1	1	1	1	1	1	5585	1	4177	7424	1	6192	1	5814	1	6586	12593	16291	1	1	1	1	8441	9266	4854	5315	6493	6422	15313	1	35333	33187	1	4433	1	1	8097	6780	7613	8832	26650	26380	6541	8297	7883	8081	1	7484	1	1	1	1	8168	1	8383	10375	7232	7977	9160	8277	1	7966	12152	1	5151	7462	8504	9670	5738	3521	1	1	9554	9099	11623	1	6997	1
408.322@1.0886463	14857	14799	1	1	18633	18842	15197	16453	17509	16011	16340	17128	21609	25025	25339	27661	18113	17930	14266	13010	15610	11198	12832	13652	16319	1	1	6594	7158	1	18216	19555	22270	19862	17100	10409	18633	18141	16570	16925	21994	22001	16152	17149	23141	22657	22202	21714	19635	12685	26588	24422	23549	21419	1	30603	25562	25972	14798	15590	14981	13242	15168	15371	1	1	15055	13876	9805	9328	1	10115	1	1	1	10545	14311	20978	16351	16356	14668	15324	20143	20561	6694	1	20466	1	21805	21968	15032	10203	13332	1	25028	23691	12022	1	1	1	14828	14678	15212	16447	1	11321	1	1	19143	19476	24269	25188	24655	22976	1	12958	25961	1	17213	18584	25689	26601	1	21760	15801	17036	1	16243	18636	20081	19768	19137	14743	1	1	11787	15399	11609	19724	1	20220	19306	19743	21057
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C40 H51 N2	1	1	1	1	1	1	1	1	1	1	1	9390	16002	16861	1	1	1	1	10550	12620	1	9200	13585	14047	14535	15921	10191	11281	1	1	1	1	1	1	1	15931	1	1	1	1	14095	16231	1	16185	15687	16988	1	17469	15937	15650	1	1	1	1	1	1	1	1	1	1	1	1	15058	11068	19454	1	1	1	6137	1	1	1	1	9742	6270	1	13347	1	10914	1	1	12233	1	1	1	1	14884	1	12194	1	16351	14291	12071	14063	1	1	1	1	8734	10919	1	1	5833	1	1	1	1	18043	16084	17457	18792	1	21581	21499	1	1	1	1	1	9324	20159	1	1	16387	1	1	10355	1	1	16480	13730	13808	1	6823	32064	31878	31085	29680	1	1	1	1	1	1
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C31 H63 Cl N5 S	55061	54471	77080	395578	58787	56711	1	45616	41569	42779	66007	70785	423439	162691	182098	200689	60604	61610	42820	44733	171228	138738	1	44332	42146	41615	13351	8326	7898	7001	230835	227551	50886	49516	34008	35251	67662	61452	51342	52488	71132	74080	57040	59576	60146	59485	1	56432	23105	36993	72829	73428	92274	96199	94605	482164	347843	69361	1	49768	28035	26934	33408	40918	191968	28095	30358	29753	14150	15247	22662	22534	43059	53006	33664	33764	34981	49408	39184	52208	49841	49745	136378	135623	17298	17494	42331	48152	71285	72992	52803	39458	60561	59712	145154	150695	1	1	39528	27950	17730	42282	52476	53090	65728	66279	1	1	63045	61263	74754	77055	67825	67229	154794	160767	138254	147352	57243	55899	76986	80344	70629	70051	64008	66526	58929	60233	48731	47043	50943	50809	63292	66304	42150	42366	41867	42210	72249	71795	59812	58657	71546	67917
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C32 H44 Cl N2 O4 S	21137	22107	21375	22626	33084	31751	12689	23767	23048	23528	26370	24839	1	32753	39187	40232	1	1	1	1	1	26865	18001	16825	15476	15167	1	1	1	1	27743	27002	1	1	26936	1	27105	25512	26133	26060	21236	18809	26649	27788	22686	30596	24027	17998	20202	22338	33806	24715	28838	18555	23469	24453	25220	34930	38372	39374	19396	15132	20144	13673	15433	22975	25688	18750	1	1	1	1	1	19863	11925	12199	24221	18894	1	22246	1	13550	1	1	1	1	22958	23656	36520	27800	18447	17081	10493	1	36997	35756	1	1	17241	18374	11374	11658	16361	12074	18012	25708	23200	16453	24519	17311	19479	28501	27547	23056	27580	25136	31276	22883	27533	26677	27950	17344	1	22296	1	19588	13752	18927	1	1	18995	13780	21278	25526	1	1	9172	1	38724	29807	27605	37983	41060	37299
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616.4661@1.1000894	23092	1	1	1	1	61294	1	1	1	1	1	1	114659	1	1	1	45670	1	39986	63536	42516	43786	95976	95467	137771	136523	1	20941	1	1	1	1	1	1	74056	94538	1	1	1	1	127379	84687	1	77291	56032	87082	80678	70246	42820	1	89195	1	1	1	1	1	63581	1	1	43080	55195	1	71607	33559	1	94410	21847	24015	40108	33670	1	1	1	60834	29504	19827	90963	22819	39602	61033	66916	1	1	1	11216	18916	27829	17089	85107	1	1	63038	115471	132802	63350	87534	32606	1	28754	47519	1	1	59274	22814	62225	44778	1	19861	32508	31972	67215	68989	1	1	1	1	75545	1	1	1	1	42595	52098	117457	62408	1	1	1	121050	1	100397	1	1	1	55942	56837	1	164195	42724	1	80393	1	46367	78317
552.4724@1.1027501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31428	1	1	1	1	1	1	20994	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16523	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	33758	1	1	36114	35672	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	40105	1	1	1	1	1	1	1	1	1	1	1	45051	1
588.4371@1.1083173	20759	1	1	137254	19954	25459	1	1	87102	1	1	23047	30227	158448	1	37483	1	1	19407	20677	1	101211	1	13020	1	20147	7429	34466	23403	6660	129026	22093	1	1	1	1	23763	106697	118830	116756	19508	27076	20433	26444	1	1	18605	20916	16665	103733	27088	22425	1	42171	1	1	1	147609	1	1	1	4527	15783	1	1	1	13622	14363	1	1	1	1	17251	23604	1	1	1	20288	1	1	20712	16887	28177	263237	1	1	14513	17748	17020	1	27427	1	34138	1	61286	1	17779	1	13665	1	14562	87617	1	1	18513	1	14598	88819	102995	109093	49004	50915	213610	34999	1	1	34667	35819	1	24010	1	33584	29510	29222	1	1	14874	1	133077	1	1	1	138986	140870	21713	17672	123817	1	1	1	20172	129185	1	24715
508.2908@1.1014928	1	1	1	9258	13530	1	1	1	1	1	10223	12129	1	1	1	1	23555	13896	16362	17062	13787	12178	1	1	1	39094	1	1	1	1	44133	25473	15734	1	10210	1	1	25098	1	1	24068	1	1	1	1	1	1	1	19043	11751	10973	1	1	1	1	1	10790	38603	1	13418	1	16120	7909	1	1	16197	8447	20144	1	1	1	1	1	8605	1	1	13464	1	1	12641	1	22935	11644	10602	1	1	13717	10534	5718	1	8696	6725	1	1	1	1	16774	12279	12432	1	1	15411	12257	12937	19561	1	1	10038	24363	10753	1	1	1	1	1	6763	5300	1	38952	1	11014	1	21648	12667	11100	21898	1	18725	13291	15616	11112	12260	13502	15215	1	1	1	1	1	15487	23023	1	1	13945
MID42315:1?,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1?,25-dihydroxy-26,27-dimethyl-22-oxachol	405248	414472	713370	736821	726820	752664	420032	417081	506783	497243	455796	461085	767916	797343	790450	787429	424539	437558	393192	382792	424355	436014	303772	287718	299931	292062	202997	200178	186927	178626	582602	596374	496527	491603	426804	412698	485907	481734	480516	484088	715778	745416	641683	643505	724587	717348	448854	457003	406693	409891	705838	677991	609361	613462	857547	865196	752515	778652	1010042	1031165	386646	391272	443260	456500	537258	537695	543847	531858	155480	150036	135769	128181	508056	499318	253651	246085	506550	479775	467888	471306	216730	228522	261917	272309	259775	263644	872456	841558	840881	840169	337447	344022	249224	252920	751667	762308	405031	407075	356901	382236	320316	302818	301263	298137	620501	632613	516379	520321	568616	575299	709104	668597	726862	727820	593874	582499	588872	592771	604254	624561	635041	381342	468844	480462	370137	374162	403242	406170	371627	384265	346963	351557	592765	600026	170915	165813	173767	160611	808055	804836	752302	902635	1156223	1171137
377.0492@1.10112	1	1	5035	5919	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5815	1	7158	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9210	1	1	1	1	12935	9475	1	1	1	1	1	1	8644	1	1	1	1	1	10720	1	1	1	7009	1	1	1	1	1	1	1	1	1	6807	10622	1	1	1	1	1	1	1	1	1	10318	1	12075	1	1	1	11452	9010	1	1	1	1	11661	1	1	1	10607	1	10431	8097	12345	1	1	1	1	1	1	1	1	6958	1	1	1	12693	1	1	1	9723	1	1	1	1	1	1	1	1	1	1	1	1	7272	1	1
468.3234@1.1020377	1	1	1	22151	24303	23890	1	1	1	1	1	1	1	1	1	1	12821	19673	14697	13745	1	1	1	1	1	1	1	1	1	1	20440	1	28459	25472	1	1	12145	17643	1	1	22440	1	1	1	1	1	1	1	10937	1	1	1	1	1	1	1	23533	1	19640	21826	1	12035	1	14490	1	11034	1	1	1	1	1	1	1	1	10719	23631	1	1	8614	14201	1	1	1	1	1	1	25199	20383	30517	15168	1	1	1	1	1	1	1	13085	15427	15522	23497	21377	11136	10000	14569	25384	15123	22850	24451	19574	1	1	1	1	1	1	1	1	26791	20534	1	1	1	14192	1	1	1	16052	1	1	1	1	12328	31131	1	1	1	1	18220	20464	22345	20363	38067	20473
314.2447@1.1066364	1	11258	10829	9219	11654	1	1	1	1	5241	10060	1	8365	1	22389	23511	1	1	1	6513	1	6687	1	1	1	1	1	1	1	1	1	1	1	7912	5690	1	20413	20490	9864	9285	10579	1	11397	12365	1	11213	1	8607	20127	24175	1	5745	19681	1	1	1	1	1	14204	16532	10249	9492	16218	15085	10301	1	8167	7145	1	1	1	1	10959	1	1	1	1	1	1	1	6003	1	1	1	1	1	1	1	1	1	1	10479	12271	10038	1	9703	1	1	1	1	1	1	1	1	13314	14013	1	1	1	8396	10073	1	1	11355	1	7443	10277	1	22457	40144	1	1	1	6839	1	1	22638	21857	1	1	3484	1	1	1	1	1	1	1	1	1	1	1	1	7136
344.234@1.1044705	1	1	1	1	9059	9284	1	1	1	1	1	1	1	1	1	1	13312	13819	8923	1	1	1	9600	1	9731	11339	7103	1	1	1	1	1	9254	1	9292	10755	3505	1	10406	12429	5284	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4064	1	1	1	8454	9951	9520	10238	1	1	1	1	9780	10070	16877	17046	63082	58401	1	1	6006	1	1	1	11824	1	1	6196	34583	31632	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7498	7894	7078	8094	24664	23841	1	1	17443	19444	10638	12930	1	1	15060	6104	39211	36680	1	1	1	1	1	1	7089	4035	1	1	1	1	1	1	1	1	1	1	1	6833	7550	9243	1	1	1	1
440.3487@1.109214	1	3650	1	123735	1	43798	1	40886	35097	44725	66873	54512	1	1	146266	1	1	1	1	1	1	22115	1	1	82275	86851	19443	1	66432	63410	31520	99377	1	1	114442	1	107543	19095	1	1	1	1	107633	112234	140460	45577	30629	1	85359	102745	115866	127043	129032	78519	1	1	1	33925	31990	86428	103291	102648	110094	1	125772	1	99729	57472	1	1	1	1	90125	90900	46094	21669	1	1	93483	18648	1	1	93425	96327	1	1	1	27044	1	1	116529	113758	84437	87008	39031	107405	15967	74260	15181	70709	1	1	1	1	111710	85653	125331	109453	1	83655	1	154231	71400	74098	1	1	27039	22393	106558	38963	1	144063	107739	19874	1	1	87946	1	123991	114063	111504	117177	26057	19274	163344	156979	154916	1	28510	31849	1	119687	104278	129033
322.2145@1.1475453	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5784	1	1	1	1	6202	1	1	1	1	1	1	1	1	1	5971	1	1	1	1	1	1	1	1	1	1	1	6221	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4989	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5085	1	3842	1	14082	1	7448	1	5877	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7404	1	1	1	1	1	1	1
960.7793@1.1052648	12887	1	1	1	14007	13996	29621	1	29810	1	15626	13706	39294	32198	1	1	6287	1	1	8283	1	8937	16950	15539	27927	29098	1	1	1	1	1	1	1	1	1	1	1	20488	1	1	1	1	1	16154	1	31250	1	19347	1	18833	23550	1	1	1	1	1	1	14450	1	1	8711	6942	11125	10791	21326	21651	10551	5424	1	1	1	1	1	9714	1	1	13331	16313	8329	1	12359	9976	1	31160	1	1	1	8108	1	24090	46618	1	26452	1	1	1	1	4997	5736	5391	1	1	5939	1	1	15416	17518	5162	1	15367	40339	57011	34656	36550	1	1	1	1	1	1	1	14583	1	1	6017	1	1	1	1	24686	1	25772	1	1	41767	42055	47593	47255	18383	18481	13844	18195	22948	24355
492.3795@1.1058264	167351	163452	226541	225030	212761	219115	216700	209686	224780	212303	146147	105287	297836	306273	311513	338494	128811	92503	120182	116463	130235	132304	132990	128962	117062	140749	95906	101955	93084	82477	175667	181399	182795	189947	157874	160180	183598	155678	168113	138962	295640	294325	243143	165830	262177	241777	191573	180123	165888	171099	260733	236933	252133	249046	290200	299790	260642	255061	264052	273525	174124	167485	186198	184134	225048	227430	180406	204599	44216	35772	25791	50109	179023	181785	91073	93608	154751	161161	139006	152217	103662	74240	154455	155849	86899	90402	111367	257857	274132	117464	143007	158364	129706	95360	308187	316034	115388	116347	103270	108458	118236	115461	110416	116733	191331	163021	194429	191847	199529	201474	457949	464516	432347	459661	260123	264941	257846	258504	208970	206651	244536	244690	184550	187773	139581	145740	143041	150377	168331	174397	169039	170576	154416	159336	227579	229010	244610	227539	78779	205314	193115	220770	240783	169586
516.3799@1.1054337	50676	45202	60267	59829	54909	59833	47045	49668	48830	50020	55435	57256	52316	60873	73538	74443	52336	52353	46505	46667	42784	44354	40123	37926	35657	40539	16855	17592	16058	14732	49400	39792	52302	1	49313	44410	56706	54578	59350	57020	63617	48018	61509	60989	63519	63959	60113	59803	51634	52383	74907	80559	80525	77623	90047	97131	92285	97796	67766	68866	49995	49431	1	56496	28296	50687	51153	50489	21237	12514	1	14736	45596	43915	23475	27516	49436	45764	48550	44422	1	40364	68032	64452	18148	24120	68893	66657	77213	75201	47901	48132	41523	27592	93070	88036	44011	41877	32101	39785	41822	1	18679	42732	64049	60107	42854	1	52786	47663	75037	75858	77770	79008	57802	55499	59700	54447	1	76953	70620	76081	58547	57186	54038	51105	44537	48947	50179	50392	46274	46333	56267	60742	22119	26819	1	20644	51652	71862	68035	69602	80401	81032
374.0517@1.1046718	74605	94057	91974	128195	116268	120209	92357	125722	126589	186035	188457	129239	128510	129876	189327	231956	127943	127891	123452	102769	99517	148710	1	159479	141137	146184	132084	206398	123041	197722	122108	125347	178479	164011	121803	141553	160172	224628	193883	214859	136794	131912	146048	170996	165028	146245	112389	177673	188018	137768	142720	151303	241433	164701	168293	203873	122495	144384	129914	168478	145056	159606	241411	157038	298550	163313	156110	121336	131261	126648	134307	211948	134444	159867	163528	158738	146646	226922	358927	198160	158073	171368	137008	195194	136067	185391	110628	154484	114469	118128	146157	211857	177005	165533	160845	188346	139329	221161	145446	174563	105383	107582	119888	184785	76144	152025	199718	200172	121946	207544	102659	194098	226473	188424	144993	179177	98035	141032	152199	205868	138785	161935	143943	225497	133989	269814	164246	229748	142917	177270	255843	212742	136756	164507	195359	223033	151202	195324	137033	180697	80052	160535	145284	157387
592.4688@1.1058545	385689	1	496244	502036	309111	317471	518347	518460	311597	1	488393	496076	549443	548598	966540	989360	402215	413868	326457	308145	186467	200133	350564	352995	440516	436783	66982	72135	78807	78374	355778	362289	374554	390017	269845	286990	594691	594481	426577	430439	541492	549688	503977	524693	492573	482319	486936	494781	315298	316022	482063	476372	785485	809733	678248	679471	516561	516135	317645	322863	229953	225880	262808	276099	275385	274348	156515	214321	96931	1	196793	195550	710873	719083	1	1	371822	372050	348598	345096	317610	308164	1052855	1052137	1	1	257707	280462	434254	434655	574826	591020	779896	784231	1418451	1428819	353392	348362	165808	225308	397055	384398	355054	364480	417545	416641	175054	226829	351069	349918	867652	853830	737698	738892	2431468	5544742	1604265	1614235	485152	480755	620510	623466	554612	555053	536916	536283	408924	415165	377449	380968	477418	472685	632078	631185	469995	458809	476235	466455	360701	455051	377839	374756	466261	468835
468.3798@1.1084026	436931	464363	384592	382465	327748	358558	486288	515656	563622	564948	329502	338785	597394	637882	596403	627921	344068	363172	387065	371692	397070	423126	353991	371955	384535	429435	253940	255014	248025	215382	502623	517504	561127	567439	525139	530980	452819	461765	436121	447664	611227	600556	541238	548985	720190	701539	566035	583982	604700	657512	554965	564139	536590	507440	891200	850856	800310	798205	446472	433401	402500	407167	483694	488036	585977	585609	540906	579520	215981	215887	217606	214300	470200	430387	238340	229884	432222	431863	394982	366311	348116	339694	395461	391205	144955	157360	597860	596891	620791	601639	524923	524475	419055	426017	654032	720286	264337	280818	307529	297100	334492	326549	298398	324765	437847	440890	480276	106458	313893	419363	963584	952538	944501	896645	430918	437950	427566	444790	500396	512515	713460	662743	539243	492369	331271	329040	357600	389996	549763	549631	512263	501230	314938	309443	1033527	994398	1001019	1070163	437827	415261	465967	503232	492490	498448
689.4067@1.1023055	21261	1	1	22670	1	28953	1	1	22967	21090	1	37164	60509	1	78872	28923	23169	1	29610	41432	32045	40204	52220	25013	58280	1	17875	1	5956	1	1	1	40801	40300	1	39080	1	48233	1	33755	1	49342	62842	1	1	81907	1	1	1	1	52198	42232	1	52193	1	1	18305	1	27920	19676	13417	23394	1	35858	29757	1	24697	50392	14973	7107	32567	31052	1	18995	13570	1	17159	1	37096	1	27304	20021	69934	1	3985	4731	1	1	1	1	35793	112030	82681	87039	43199	84580	10229	11057	22700	20995	1	1	1	21289	25065	1	14466	20038	33587	19586	121174	1	1	1	1	1	1	1	1	1	1	1	23050	23028	1	29430	38152	37399	38791	1	52588	1	23145	1	1	115981	36757	1	41717	34867	39959	19531	12904	50602
513.25@1.1069583	16829	18426	19896	19275	20127	19132	15141	16428	21423	22140	23815	22570	18521	19349	19393	17906	31333	32743	24231	24016	19877	20964	20154	19223	20279	20417	27893	28751	24525	22627	20649	20872	27829	25829	21419	23147	19603	17049	21517	20112	17092	16597	17249	15301	20403	20566	20768	21978	21768	21063	18154	18671	20312	20697	17345	18782	18940	17979	18878	20646	20216	19044	22507	22262	19315	19107	18364	20835	24373	23717	22385	20562	20979	20311	24151	22102	21496	21175	17471	17897	20527	20677	21734	19740	21908	25389	20838	18652	17619	19279	18129	17386	14640	13058	16085	17622	20056	16229	20536	22118	22779	23154	22132	22388	23125	22661	26682	23202	26847	29741	12544	11571	13566	12848	19566	21130	17842	18033	19433	15956	22553	22579	19150	21821	18335	17359	23994	22757	20458	20864	18554	20387	21879	20202	18669	16248	18670	19491	20113	20481	19869	20127	13226	16958
490.3637@1.1072506	79343	1	116985	109622	1	112466	102468	89361	101458	1	93249	89073	123783	1	156941	173772	67335	70985	62925	67438	61145	69747	65956	63594	63573	79534	42798	60254	38137	38282	89953	100523	81625	87974	83433	1	113599	103134	99838	105949	129251	136401	123526	129818	108147	114095	78022	78938	77492	76192	125448	124009	129520	189481	1	153680	145956	139252	155708	158181	1	90404	96698	98464	85642	111270	89551	92568	1	25428	15673	25298	99561	103563	42932	42412	113766	84364	83315	76787	63044	64625	107624	117561	51466	54536	123886	120439	131247	1	63391	61101	65694	57386	167373	160200	67094	65584	65313	63044	65886	59725	57175	66191	1	103469	81754	80050	96739	97876	138940	1	1	142415	197696	208849	176300	169720	110932	109823	109489	119094	86190	87976	78765	74369	74796	63421	76342	84476	1	87229	97480	107424	79446	78415	1	1	119478	106498	1	114772	122541	123644
DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)/0:0)	132668	133634	158108	157344	134324	136615	93762	91010	133223	133658	194033	194138	109339	114714	108574	109064	294302	296073	239389	228457	151829	157876	133719	132883	131393	127096	214993	219130	184407	180924	142203	145157	212459	214817	167362	164586	107565	113318	123113	117286	89542	89348	84255	83465	144628	137465	141846	140646	156845	160399	115934	115464	111362	111395	108425	113268	99144	102561	127833	128725	124674	123908	156267	156092	125864	125117	143760	142272	212686	206824	188069	187587	131225	128700	219721	220042	142338	141056	114927	115124	169266	169937	140826	139873	203233	207978	140226	133787	115255	116584	89622	92533	61368	61403	77811	80384	142480	139896	146739	152172	185037	185103	159980	160090	188997	185114	171121	164019	207176	203759	44194	43835	43234	44280	107545	109665	101291	101639	122335	117531	134942	131650	143342	135556	133988	129686	179813	187361	124115	124456	112210	106739	183887	185974	76927	74703	108121	104057	113541	113061	116918	119434	83337	83001
562.2065@1.1063502	19148	19633	20176	19197	19231	18243	20110	18313	20286	20006	19362	19436	20502	20922	20804	21760	19019	19383	17344	17557	19381	18833	17407	18075	17659	16942	19622	19160	17417	18221	20607	21027	19452	20521	21247	21744	13478	12910	12765	12578	16230	17571	18017	16404	20801	18357	18193	19315	17843	20141	20244	21429	21547	20843	19702	19533	17847	19844	19961	19587	16052	15925	17958	18179	19471	20054	19204	20780	19278	18023	16531	18118	19132	18360	17408	19025	20502	18013	16794	17750	18377	17611	18248	19332	18431	17217	20181	18329	18491	20932	18395	19570	16869	15582	21717	20130	15828	17527	16118	17104	16296	17585	16462	16814	1	19690	19091	20115	18086	16272	19122	18178	17969	18639	18412	19121	18299	18007	19588	17365	18429	20010	19769	18633	17124	18750	17713	18010	16684	16788	17981	16851	16543	17109	15032	15636	13681	15020	16782	19299	16919	17515	19520	17085
C35 H59 Cl O2	68381	68293	95204	69238	83495	1	1	70547	61034	63050	1	1	98953	99981	1	1	1	47152	1	1	45284	47574	1	1	60414	50189	39428	13741	1	16245	105664	110954	77176	67034	129357	64175	51873	67725	77945	62592	79386	1	72987	77164	86624	79480	77878	46182	94176	49531	85673	50519	113968	95673	105191	1	86591	108972	111588	186800	45166	44820	55972	63535	63048	64806	54311	39543	26591	25948	1	20902	86376	83015	33086	32885	67908	63912	59017	45303	52860	37411	1	60741	44462	42421	1	46556	91392	94202	48983	53120	53507	68557	170364	175926	1	35705	42170	71208	66321	1	1	41473	1	137509	42864	51731	50343	41945	85251	97757	94283	93768	207137	350371	1	151893	83025	79195	105707	86790	1	55064	1	53151	54027	44816	71986	120526	65735	75139	88635	82965	39309	22637	1	45879	70217	78855	76654	77799	95058	96075
464.3486@1.1088203	124249	177612	176347	241895	250251	250573	227679	223071	232727	230992	169241	177426	307653	234442	340962	356996	126602	160271	143367	138010	157785	155830	140513	138897	117251	1	83139	60887	78295	59639	202675	214392	189295	193811	169129	174022	169811	220090	209802	205797	300381	305539	282700	280926	209153	1	121250	1	171420	183279	232976	208158	273131	280552	346455	336357	335846	344023	278624	280061	169337	211102	214173	155885	233329	239976	228998	217414	1	70535	72676	46338	199108	196078	93172	86307	189094	1	170804	172997	134805	124470	187270	126940	88187	101956	275771	269668	277850	292491	170408	177536	153959	148889	351821	353720	117224	146637	137360	134953	128804	125924	128636	127739	213650	153728	191541	178367	190422	190039	463275	454782	284934	459356	324295	322161	334823	337015	244749	245672	290774	261340	220561	214048	147236	113880	160747	163316	216002	223727	231927	220129	187893	188685	145975	190984	185704	151090	228553	224241	187692	256231	300504	301600
C31 H33 N O5	50854	50702	59319	60009	52619	51795	40786	43169	56952	55109	68064	67805	52993	57792	56245	59899	96581	96021	79195	77545	61735	64902	51446	53423	58738	57357	83550	83770	75579	69020	56844	59867	79041	80810	64137	64970	47782	48120	48642	50735	41009	41482	40134	42558	58625	60299	54821	55932	59535	62063	49823	52662	50983	53916	44451	46674	42902	43100	51488	52576	47325	48445	56894	58877	50257	51046	57089	54294	70766	70789	64776	65374	54957	56876	70230	70624	53927	52722	45454	45157	53751	53209	55878	55424	64547	69061	51883	50015	46988	45743	44692	43520	32109	31889	43682	41728	51421	50705	57670	56349	62655	63853	58146	57748	63459	63304	63788	60225	69094	67644	27249	28537	27569	26856	50526	52048	44427	44348	51053	48464	52962	51183	51274	51382	49269	48864	62613	59924	50001	52293	51641	46864	59253	59137	38859	36351	47853	49387	48224	46353	49826	47235	37730	38027
456.237@1.1087804	11720	10572	17101	14268	167406	9731	148086	1	11873	11125	11026	13175	10824	165687	14560	10743	166098	11781	1	8304	10608	9790	7583	8165	8496	7554	8880	9748	9312	9277	8528	8563	13318	1	1	141153	7564	91849	6010	10099	5968	11173	1	1	145947	9118	9715	1	1	1	1	10621	10876	9751	120114	121418	1	9817	9043	1	1	7329	1	1	7240	7819	8024	8021	1	1	1	107691	129338	1	138948	132954	1	118242	1	6672	1	8154	139694	10251	120551	125004	8889	8071	9843	115631	1	8728	1	1	9595	129877	1	1	1	7760	111392	109829	1	1	139087	10691	8736	1	137602	11575	6427	7594	1	5522	126454	8152	1	103217	8571	1	1	10505	1	1	1	90056	7622	113993	6867	102765	1	1	104818	100411	1	1	7208	1	6534	107831	1	9607	9087	6709
568.3051@1.1094383	17102	1	12544	1	1	1	1	19687	20735	1	1	1	19883	18257	11266	16024	1	1	10766	12654	12825	1	1	11627	1	10317	10508	6711	1	1	1	1	1	12605	14962	17308	19134	1	20326	19409	13495	13882	17207	1	17116	16452	12379	16712	1	14437	11868	12866	13620	12774	1	19098	19320	1	14485	12326	13462	14480	16345	13437	1	16243	15230	1	1	1	1	1	9895	9620	1	5773	9112	1	11465	1	1	1	1	9613	1	1	14262	11637	14328	11845	11116	10496	12194	9136	16155	15566	1	1	1	7809	6788	6576	5161	1	1	8607	1	1	1	8219	18533	1	1	21611	1	7607	10933	9891	14112	12023	14767	11810	1	12857	1	1	9654	1	10126	13172	12407	12124	1	1	22481	21405	21856	25847	9667	8851	1	8578	10108	10824
544.4105@1.1027625	16213	17181	22380	1	21036	19038	1	10543	1	1	1	1	1	23888	28212	29593	1	1	1	1	1	12368	1	1	1	10846	6608	6263	1	1	16835	17390	1	1	15386	1	15551	16633	16015	15075	1	1	17943	1	1	14336	1	1	12099	1	17610	20779	25241	1	18479	23247	1	21806	24141	1	1	10112	8863	15958	1	1	1	10395	1	1	1	8084	15352	16351	10108	8013	1	16655	16025	16196	14861	16366	21336	21588	1	10834	21029	1	1	23374	13247	9068	13663	12355	1	30317	32011	1	11514	11861	1	14265	8371	15688	15908	1	1	1	1	11252	1	1	21007	14874	22393	22342	1	15669	20251	15602	1	1	1	18319	1	1	1	16882	50118	9484	17532	1	1	1	73072	1	1	1	1	16409	20189	22149	16947	16046
414.3329@1.1105945	1	1	1	1	1	1	1	1	1	1	1	1	1	7523	1	5744	19786	13027	1	8601	14936	3899	1	1	1	1	5797	1	5762	1	5377	1	1	1	1	1	1	1	1	1	10169	1	1	6776	1	1	23437	29696	1	21136	1	1	33973	42292	1	1	1	7130	1	1	1	8159	14565	7030	43616	1	26224	24343	1	1	1	1	1	5795	1	9396	1	1	1	1	1	1	1	1	1	1	1	1	6201	1	1	1	1	1	1	1	14183	1	11293	6944	1	1	1	1	1	1	70285	75594	55404	35354	1	7752	1	7794	1	1	1	1	1	5466	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
444.3223@1.1076833	49395	1	71866	75468	68268	68784	45441	45127	41798	1	58196	60378	88011	89197	90013	91042	1	50358	1	41647	45618	44600	43095	42781	37890	1	1	1	1	1	54247	55711	74867	91917	68665	70315	71169	70168	72075	73926	85632	84972	84481	88361	70121	73407	52606	53557	47553	48600	92888	90508	83387	85075	94517	94961	94925	92983	121254	116146	57017	58368	62982	63522	66228	71674	71434	70801	1	24150	21575	20720	1	47939	1	32467	58824	61166	62617	60741	33750	1	1	47479	45423	45244	91129	91789	96827	98125	7424	48235	1	37514	92023	93893	55168	1	50782	1	45231	43331	1	47264	71637	73354	81070	77785	95970	93142	79167	77918	79307	81224	41461	42670	43222	43810	85898	88743	87684	85480	60136	62915	60380	59827	68604	69382	58133	58985	1	57994	77710	80898	15220	1	17003	1	110434	108407	108744	111620	120167	115372
438.236@1.1054431	1	1	5144	5865	1	1	1	3880	1	1	1	7703	4830	1	3359	1	9751	14036	15269	7489	1	1	1	1	6646	6853	13579	12466	16132	13793	7170	7005	1	7616	1	8773	9374	15366	9256	14831	1	1	1	1	1	1	1	1	7019	7337	5703	1	7314	1	1	6215	1	1	1	1	1	10691	9190	10019	1	5872	1	1	14976	19230	12990	13287	1	1	11679	1	8714	7839	7248	8667	9714	10930	1	6229	1	13783	7691	1	1	1	1	1	1	1	1	1	1	10401	9964	1	15786	15672	10940	11440	9179	1	9508	1	9425	9302	1	1	1	1	5146	1	1	1	8063	8660	7531	1	6755	1	9886	9834	15051	1	1	1	6975	7519	1	1	5156	1	1	7743	1	1	5672	1	1	1
906.733@1.1081555	1	3677	1	1	1	1	3600	1	1	4589	1	1	5810	6053	6372	5865	1	1	1	1	1	1	1	1	3673	4252	1	1	1	1	3610	1	3102	1	3051	4018	2689	1	1	1	5741	5974	4884	4404	6218	6616	4293	3641	7021	6254	5099	4423	5224	4855	3869	4345	1	1	3329	1	1	1	1	1	6682	6071	5096	5786	1	1	1	1	1	1	1	1	2800	3484	1	1	1	2683	4656	3847	1	1	1	1	4790	4705	7314	7977	4273	3842	6773	6910	1	1	1	1	1	1	1	1	3112	1	5677	5793	5481	5436	10329	11581	12531	11249	1	1	1	1	1	1	8111	9172	5181	4799	1	1	1	1	5866	5710	5971	6472	1	1	17917	19762	17915	16721	1	1	1	1	4764	4861
1-Deacetoxy-1-Oxo-3,7-Dideacetylkhivorin	231741	236014	260175	257336	1	219588	1	201129	223021	217741	224325	232457	220316	1	245010	243887	1	215944	188511	165524	185296	191340	166261	167371	165915	167485	166583	165300	149788	148144	191009	156360	182408	185642	187507	1	121959	1	135054	135420	122694	124113	136602	144039	1	191452	164279	196167	208121	208316	179095	159367	194335	1	1	1	142725	127321	172126	145930	134489	127385	170578	156380	145031	192187	165334	168914	177408	169644	136660	1	1	159941	1	1	150177	1	116741	122430	140551	138313	1	174218	1	1	145687	144457	150263	1	149576	141008	99033	109748	1	1	138134	119556	129301	128781	1	1	123811	128143	1	193039	153021	157580	1	168571	112945	105517	101746	103776	1	153768	127668	1	133078	150009	140546	160290	131517	128708	116600	1	144425	1	125969	1	150743	131757	1	1	120299	125659	140291	143808	118778	1	128418	124961	117634	118296
796.4835@1.1095	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3959	4812	4006	4917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3511	1	3973	1	1	1	1	1	1	1	1	1	1	1	1	1
C21 H46 N3 S2	166853	185602	193106	176842	175856	154086	142793	161017	163574	172886	175082	172631	182468	185573	195024	181118	199619	216599	163146	158186	151484	155306	149262	147482	157634	139699	146008	160400	148140	148962	179707	174490	175287	193329	176572	179357	145218	164207	139100	150469	128761	128019	136106	135923	185133	177442	158015	159103	172922	185945	172413	146270	154974	164998	131281	132964	138422	119391	161545	160702	131689	113233	159040	140008	151256	126683	143104	147141	147579	154537	145723	142339	135899	133566	177977	174074	140565	147902	132098	131890	161566	147799	182379	183270	163148	159950	133317	135997	155129	133132	143360	159077	99043	100911	179412	192583	132122	119061	126235	128962	143465	147975	137751	146298	177219	192742	152493	155067	196654	185295	143112	139345	131222	131102	175549	164363	139709	148941	158067	165259	166737	149190	133882	130761	118958	134730	156909	170393	145839	132977	137423	139018	167023	149792	146274	150005	166978	177847	129929	141385	138335	129191	125307	129338
781.5267@1.1071718	12976	12718	12941	13740	10811	12353	8511	9139	12207	11541	14709	14088	9415	10047	11154	9457	19912	21052	15621	15453	12462	13312	12478	11031	10480	10761	21003	19981	20821	20039	13165	12883	18456	17632	15271	14401	8389	9622	10242	11375	11056	11447	8850	9005	13414	14490	14142	14091	13126	13566	12508	10563	12540	12546	12234	11261	10823	10547	11799	13312	13979	11530	14745	15516	13283	13337	14455	13940	17272	20065	19302	18689	1	1	20333	16794	15266	14977	13621	12017	13880	14470	13835	12824	19629	19714	14337	14761	11514	12184	10480	11182	6863	6700	8995	8938	14950	14415	15635	13554	16171	16515	16549	15123	17415	16857	15999	16389	20089	18865	1	1	5866	5444	12294	11482	10397	12285	12914	10929	13980	14326	13931	14875	14526	14356	18085	16632	12872	13138	10345	12612	15514	13616	10113	9678	11947	9826	13673	14497	13779	14521	10381	10749
484.2287@1.1086388	92988	90888	97753	96997	84638	87245	90689	82932	82490	79459	77421	75544	81770	82041	88197	94067	68846	66987	52505	53192	65763	64256	59486	58369	58417	58523	51909	52309	50625	48234	62251	61432	62801	65191	65900	65619	56176	53282	53919	55599	59787	59991	55122	54742	72993	64089	66500	66876	69832	69934	66473	66966	67823	71783	67797	74407	63165	61067	62275	62031	49453	48668	53412	54969	61130	60418	57994	60553	48003	46179	47361	50547	59547	56610	50964	54517	58483	56352	48605	45731	51707	51806	66203	65092	47562	48317	58359	61063	62912	63116	58759	59024	46239	49653	70905	69150	46931	47388	45216	47856	49345	48760	48062	51634	67002	67163	62284	60835	63157	64268	61869	59405	57436	58585	63115	65421	60102	61403	58306	58660	62752	65029	56193	56577	46047	48348	54876	54514	53565	54712	57712	53655	48050	47518	51621	53950	57520	56067	48513	54992	51970	51178	52562	51176
392.291@1.1110411	169644	182220	252333	252205	239297	229988	169685	167086	220059	217948	53031	51485	229816	238446	245870	253695	60091	53342	45163	46953	59909	55439	48877	47468	45540	42265	42317	42099	38597	36938	232266	222975	79009	80791	239101	68444	197798	203454	191751	193040	241845	228812	234121	229565	262743	281871	59174	213537	62616	61344	261610	265115	98877	246451	267589	277205	254886	257416	256632	263323	209975	191431	237995	225597	216982	220874	227437	241253	24143	24080	25836	36594	219289	213889	38327	37674	244992	240003	214433	207149	146703	33106	47832	43421	59962	60862	286976	274747	276757	266861	180547	183151	130545	134816	238391	249031	50911	51194	51615	63537	44888	46925	58019	46071	288245	80688	291040	283965	317750	310253	201575	197453	197720	196638	274039	274465	252522	236289	226515	220215	236437	242304	69851	220178	210262	218164	257978	68483	205228	207064	190983	193638	241690	230276	149027	149655	47039	51816	249083	244114	277109	259151	265888	275327
C38 H37 N S2	16169	17142	17492	18781	13979	14184	14230	17832	17007	17288	19979	18171	21019	20199	20503	23757	22289	20002	17079	14948	16908	20841	16451	15281	19407	18987	16988	16707	16535	15542	20503	21452	21471	23266	21764	21489	15001	16982	14850	15501	19848	15291	16188	16160	24919	20240	20638	21197	23070	23573	19526	23236	23781	22306	23413	24503	16973	24813	18340	20275	15712	14799	19596	16433	20890	19344	20116	20392	17192	16468	15552	12327	20678	15938	20772	18529	19116	21880	13700	17794	18288	17047	22291	22094	15103	16495	21819	21450	20486	20520	16928	18202	14623	12169	20335	23646	14850	12985	15042	13829	19177	15893	13723	15691	24337	25627	22919	19969	23409	23421	19005	21566	18047	17071	22782	20680	17775	22513	22319	17472	19114	24041	20652	19543	13118	16558	17246	18002	16428	19788	17436	16025	16165	18033	17224	13315	16604	17608	17017	16549	16238	14814	20956	17548
222.1614@1.1078697	7411	116042	1	1	1	1	8103	1	1	9999	1	10600	1	1	1	1	110444	1	96235	1	1	1	1	1	1	79446	12536	72122	61571	59848	9724	1	11947	1	15186	1	1	1	1	1	11084	1	1	1	1	1	1	9991	1	1	1	1	9725	1	1	9323	1	13522	1	20740	1	1	1	1	1	1	1	1	55435	1	1	1	103420	1	71209	1	1	1	1	13100	23272	60828	102068	1	1	1	1	14199	1	1	97535	1	78521	1	1	1	1	116603	1	115931	1	1	96892	50347	1	12010	8171	1	1	17080	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8830	1	131305	1	17822	1	1	37916	1	46210	1	1	30913	14063	1	14496
420.0571@1.0989064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7032	1	1	1	1	1	7346	10632	1	1	1	12435	1	1	1	1	1	9818	1	7894	1	25404	1	1	1	10426	1	1	1	11126	1	1	1	1	1	1	1	8766	1	1	1	1	5576	1	7048	1	1	1	1	1	1	20080	1	1	1	1	1	21491	8687	1	1	18160	1	1	8421	1	8405	1	6200	1	1	1	1	1	8484	7955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11120	1	11743	1	1	1	1	7877	17293	5930	1	1	1	1	1	1	1	1	1	1	1	19664	1	10746	11170	8061	1	1	1	1	1	6939	8380	1	1	1	1
438.3332@1.1084374	66811	60591	102873	111803	103891	111829	107017	94932	112083	115345	61171	63168	109514	107966	123168	118923	56080	55874	54697	52879	65724	70831	53520	51580	61215	58335	42800	44338	38292	35042	89898	88618	80544	84097	61156	74070	88096	71292	85624	86237	108983	110045	101194	103286	101970	113355	70400	75887	67706	81084	118505	114002	111605	116132	137574	132925	126348	100793	84287	95230	82671	85012	90056	94018	95318	98543	89156	86462	36047	33935	36545	34315	80215	78490	40851	38905	75926	80005	71987	65377	51594	50272	70813	75281	43228	44766	108060	108884	116903	116566	75823	64975	67123	66321	129526	121289	61657	57141	57917	60818	53340	58194	54208	56566	77889	80093	82071	82885	78094	77025	190234	182322	195508	194124	124561	115887	127288	132187	95057	89282	109763	114549	89620	84792	51913	53007	61969	63419	85875	88628	88913	85607	80248	74776	108381	101783	103314	98601	87906	88243	99669	98247	114602	110092
582.0555@1.0711968	1	11315	2613	21239	1	24047	13184	14338	19942	31468	28185	18937	21618	21428	25119	37618	21847	28650	21250	27503	12060	16915	20549	23739	15927	21612	12733	1	14427	1	16758	1	30465	1	1	15757	22949	7543	22277	27409	1	22935	20556	23468	23243	27474	19488	28724	19707	17835	19593	28109	27810	24726	23070	30740	16812	1	18657	1	18020	21364	6832	22268	34813	1	1	21564	21027	24288	15966	27039	6013	22036	14822	19136	15422	1	39453	25631	18299	26760	1	1	1	4502	14214	19908	14442	15403	16139	1	17069	19591	17381	24871	13686	1	15120	4887	1	14411	13780	26382	15205	18628	26200	27792	17588	7032	16889	27543	21317	21632	19974	25418	14325	21859	17558	1	17977	25398	15891	32412	5665	8973	20434	22205	1	26043	22224	1	15713	15332	19658	33049	17728	22641	16737	24023	13673	21167	18444	21051
12-hydroxy-10-octadecynoic acid	17292	18121	27644	26679	27962	32248	20811	21371	18661	16276	24711	30362	25356	32429	25401	5710	15808	31763	33806	31379	24084	27444	25028	25392	16604	16071	12210	13937	16050	16811	23229	20076	28591	29442	33583	31749	16470	16191	25092	25316	8994	32051	19080	11468	21040	20725	15214	14983	15735	16729	19137	18093	26320	22151	37622	37202	34970	33190	35592	35051	28762	24202	32395	35387	33364	31146	17738	17972	39136	234027	29591	31487	269043	265709	321344	315153	29915	29074	54465	59827	50973	61994	25021	18235	135834	24208	39374	60328	40408	39326	15425	15022	23575	14004	33539	37609	25331	24682	22125	19651	27666	32461	36133	36765	43454	46137	22906	20588	29741	28268	27831	26132	20668	18905	26520	25939	40567	42591	19471	20830	22215	20676	32148	33133	52571	51129	35617	40997	16037	21293	18127	22893	15315	23070	15204	14745	22309	20867	34081	35130	14800	17596	23077	24741
416.2898@1.1144497	1	1	1	1	1	1	1	1	1	1	1	1	6895	6069	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12192	11347	8712	1	7104	1	8010	7896	1	1	7034	1	1	1	1	6853	7259	1	8578	7462	1	8288	7798	6570	7351	7959	10452	1	6674	1	5894	1	7046	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3334	7820	7568	1	8419	1	1	1	1	8061	1	1	1	1	1	1	1	1	1	1	4678	7563	1	9042	9952	1	1	1	1	1	1	1	1	1	1	7787	7163	5256	1	1	1	6706	1	1	1	5059	1	6342	6032	1	1	1	1	8039	7038	1	1	1	1
498.0339@1.106257	1	1	1	1	3984	1	1	1	1	1	1	1	1	4267	4791	1	1	1	1	4644	1	1	1	1	3942	1	1	6508	1	5918	1	1	1	1	1	5128	4104	4655	1	4615	4261	4775	1	1	1	1	1	6206	1	1	1	1	4265	1	1	4167	1	1	1	1	1	3521	1	3226	5101	4167	3566	1	1	4672	4565	4261	3631	1	1	1	1	1	5113	1	1	3051	1	3532	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3484	1	1	1	3746	1	1	1	1	1	4080	1	1	1	1	1	1	1	1	1	1	1	1	1	4554	1	1	1	1	1	1	1	3535	1	1	1	4850	1	3267	1	1	1	1	1	1
474.2245@1.1129999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3275	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2722	2644	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2859	1	1	1
648.3942@1.0997777	1	1	9381	1	5042	1	1	1	15007	1	1	1	1	1	1	7023	8032	5513	11031	1	1	1	1	1	28933	19473	1	6396	1	3453	1	1	1	1	5943	1	1	1	17529	1	15548	15771	14281	1	1	6225	1	11032	1	12905	7553	1	15204	50266	1	1	4499	1	10172	6062	11218	6615	1	10215	1	1	5558	8316	4420	1	1	1	9092	18498	1	1	61425	12874	1	9046	4404	5499	1	1	1	1	1	1	1	1	18724	18851	15274	15610	1	12608	1	1	10364	1	1	1	1	1	1	7229	1	6766	1	16924	18227	24756	22782	16327	1	1	6044	1	1	1	15416	13791	49001	12277	12502	11097	8336	15190	16984	19800	1	18363	11071	9574	1	37791	39697	32936	27651	1	1	13166	17761	35097
565.0958@1.1111861	1	4245	1	1	5443	5642	1	1	1	1	1	5860	1	1	1	1	1	1	1	1	1	1	1	1	5944	5217	1	1	1	1	1	1	1	15207	1	1	1	1	1	1	1	8050	1	1	5178	6178	1	1	1	1	6246	1	7213	1	1	1	1	1	1	5707	7472	7257	1	7058	1	1	1	1	1	6058	1	1	1	1	1	1	1	7308	6937	6395	1	1	7309	1	1	1	1	1	1	1	1	1	1	1	1	1	7254	1	1	1	8352	8654	9492	8197	1	6866	1	1	1	7110	1	7406	7363	7457	1	7816	9101	8712	1	1	1	8253	5450	6717	9867	9309	1	1	8796	8526	10771	1	3811	1	1	1	1	1	1	1	1	1	1	1
584.1718@1.1067421	5209	1	4390	1	3484	4555	3456	3433	1	2863	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3425	1	1	1	1	1	1	3974	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2945	1	1	2409	1	1	3178	1	3231	1	3244	1	3091	1	1	4294	1	1	1	2849	3418	1	1	1	1	3640	1	1	3998	1	1	1	1	1	2745	1	1	1	1	1	1	1	1	3211	1	1	1	1	1	3654	1	3429	1	1	2769	1	1	1	1	1	1	1	2913	1	1	1	1	1	3559	3081	1	1	1	1	2805	1	1	1	1	1	1	1	1	2883	4788	1	1	1	1
438.2913@1.1107296	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8209	1	1	9367	1	1	1	3736	12199	11411	13612	11810	5520	1	10266	1	5607	1	1	5633	1	1	1	1	1	1	1	1	1	1	1	7724	1	1	1	1	1	1	1	1	1	1	1	4324	1	1	1	1	9272	1	17518	15115	13258	1	1	1	1	14104	1	6279	1	1	1	10693	1	1	15233	14614	1	8971	1	1	1	1	1	1	1	1	9909	10222	12560	1	11484	14007	1	13193	1	1	1	11860	12533	12630	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11847	1	11420	11994	1	1	1	1	1	9483	1	1	1	1	9410	1	1	1	1	1
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C17 H43 Cl N7 O2	1	1	16112	11435	1	16111	21694	18767	28887	29080	1	8395	1	13842	10697	16899	7472	1	1	1	1	11342	1	1	9374	8306	8478	9436	7303	8754	11011	12836	12939	9538	9981	11063	1	10617	7479	10214	21308	16781	16612	14893	18847	1	8755	9709	9583	9064	15372	13483	17581	1	13746	15012	7927	13091	13104	13939	9272	14292	12686	11418	13752	12745	12201	1	1	1	1	1	15845	16064	5815	6944	10660	10822	1	9889	9112	10931	12363	15053	13165	9450	17667	17800	14098	16854	13840	17894	11786	11326	17349	21397	1	1	1	1	1	6526	9303	11403	10806	10033	12589	14991	1	11815	1	24404	28319	26092	10654	8768	15552	5866	8150	9940	17535	13310	9281	8309	1	5667	1	8563	13628	12100	12079	11258	11146	8460	19231	18144	18409	19976	14098	11303	16701	12245	15526	14741
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668.5375@1.1221389	1	1	1	1	1	1	8105	6116	5068	1	5043	1	1	1	1	1	1	1	1	1	1	1	6225	5622	9270	5839	1	1	1	4833	1	4549	1	5689	1	5230	1	4032	4009	1	1	1	1	1	1	1	5729	5728	5584	6068	5762	1	5004	5508	1	1	1	4291	5416	6539	3877	1	4656	5128	1	5245	1	1	5918	1	6375	5602	7283	6719	5919	1	6214	1	1	5064	1	1	1	5023	6542	1	5012	1	4198	1	6794	6390	9137	7683	8089	8639	1	5028	1	5734	1	6699	1	6704	6033	1	5614	5812	7043	6619	5200	1	7262	7314	1	1	1	3614	1	1	1	1	5128	4890	1	6456	5772	1	1	6070	5205	1	5551	5263	16441	12092	11371	30776	1	4041	1	1	1	1
3?,7?,12?-Trihydroxy-24-methyl-5?-cholest-23-en-26-oic acid	1	1	1	1	1	1	1	29016	1	1	1	1	1	1	1	94735	1	1	1	1	32565	1	1	23650	1	1	1	1	1	1	1	1	52288	1	1	42970	1	1	1	57823	70943	1	76309	71378	1	1	1	307437	40088	45102	1	78067	75933	75706	1	1	1	83339	1	27486	39223	56282	54365	3350	52045	57978	1	1	165293	1	1	1	1	1	1	25146	1	440554	50086	1	1	1	1	1	1	1	4907	70502	21728	1	1	1	1	1	4008	5367	38266	1	38242	1	39603	1	1	1	1	31484	1	43955	1	52381	1	118778	1	122121	1	1	77712	1	1	1	43098	1	1	1	1	43181	1	1	37614	1	36648	68781	1	1	33716	1	1	1	1	1	1	1	1	1
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455.1404@1.1215554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5820	1	1	1	1	1	15046	1	17905	6556	1	22031	1	1	16168	1	10138	18555	1	27667	26831	25578	20205	24339	23948	22568	1	29733	26552	27685	28611	29267	28410	27696	28471	30584	31958	32566	32636	33645	31430	1	1	33573	32851	33039	26222	1	28712	30266	35026	35641	33049	32529	1	21121	27668	26930	30649	27538	18810	1	31867	34540	32555	32476	33549	30114	34685	35187	25995	24609	32951	29517	32047	36705	37860	41031	1	31887	37345	39252	29868	1	29162	30088	34895	29373	31482	25852	35805	32895	35145	36672	38243	42962	35690	38858	39968	1	44199	45335	40954	40457	41470	38453	40350	39021	35775	6244	34382	36115	42054	37528	40562	41356	41125	44145	35652	32321	42671	38131	38694	34061	44469	40821	36184	34962	37206	35902
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590.288@1.1333333	1	1	2425	1	1	1	1	4113	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27822	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10159	1	6763	1	1	1	1	1	4044	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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300.033@1.137417	30353	38664	45296	75421	45753	58467	46705	76592	71764	111471	88687	63022	65045	70541	94671	119297	67314	70212	63662	71585	40507	48460	63218	64610	74676	71125	63366	98741	44776	78615	46247	50261	89069	93141	54579	65473	54073	116124	57849	80400	57854	74493	64674	78696	70962	77032	52606	81718	93310	74797	64374	81984	109567	75396	71324	90088	46561	60753	62784	86758	75399	59928	105429	56542	140152	70894	72277	68915	59667	92829	56185	87535	57393	73400	37861	59286	55646	123063	151264	74990	65966	74946	77009	94753	49500	74579	48475	63752	43082	42901	77028	78571	77823	73776	70014	80315	48693	83877	54381	60060	38894	38395	40886	75835	46643	61572	84088	100076	51013	105811	48830	94443	107789	87624	79907	91174	44997	67217	65238	89968	57292	91410	55477	105655	90134	104055	67053	89685	76349	84474	83975	88092	64365	67542	84086	146180	73824	99928	54258	74914	50575	66837	66140	62803
560.4037@1.1357708	19722	1	23683	24455	16898	26455	31780	30625	20425	26376	22303	21307	26175	26968	32436	24301	17151	1	18240	17457	14660	21159	20656	18105	1	16965	6963	6424	7352	6603	22540	22900	20143	21667	18368	19797	23219	22565	20920	20394	27725	24699	24057	22887	18967	1	22665	20443	24424	24118	24493	25293	5326	24987	31961	21911	27193	25929	25707	22036	21117	21588	23476	22078	23043	23293	23000	22949	10004	8688	10729	10990	24058	26578	6924	15435	23416	18366	16730	19499	21829	18763	23708	26024	8907	9865	21897	20677	21582	22370	26286	16805	21917	26030	1	33831	14249	23260	15862	16627	16064	16334	18806	15079	22391	20892	16419	18205	28361	15059	26665	40404	39680	38904	20062	21500	21506	21718	23664	1	28538	30561	20328	22225	15107	13443	14323	13891	25142	27544	27680	83835	22529	1	28348	26474	29891	29500	25515	24656	1	21450	1	28976
C30 H50 S	15153	16513	14170	14605	13882	13907	21785	21813	19532	19317	9686	10627	19625	20480	19863	19335	10302	11335	9873	19649	14523	14937	12045	11413	13856	15158	13670	12234	11364	11367	18620	124549	13111	14806	12916	11559	14369	13761	14830	14811	30795	31021	26843	29369	20375	19661	15686	18679	19096	19860	23821	22353	25558	25990	18590	19168	19657	19023	11910	12327	19746	17869	17176	18239	26516	28624	21773	22900	8114	1	6265	9719	11183	11123	1	9488	15077	13415	13102	14124	8879	8923	10614	1	1	1	21549	21892	21396	21738	29793	27966	23137	23615	25926	24427	9817	9840	10007	9750	10966	12155	13504	11504	13576	47770	28400	1	23473	22306	67022	61542	69308	71548	15669	11534	12153	12301	17658	16778	26629	24668	21205	20650	11172	12691	14765	12017	15768	18434	19451	19912	9837	9922	49407	48720	42510	40660	12802	13997	15408	14758	19373	19266
460.3211@1.1282272	1	9377	10899	12109	1	1	11619	1	1	1	7276	11727	12383	1	15004	15105	3871	6852	1	1	7490	1	7892	1	1	1	1	36006	1	1	1	1	6674	1	1	1	9300	11593	1	1	1	1	16642	16116	73979	1	1	1	1	8452	1	1	16348	1	1	79271	12742	1	15218	15101	12750	1	1	14772	38256	1	1	10544	1	1	1	20612	66852	1	1	1	1	1	1	1	1	9010	58349	11772	5566	1	1	1	1	84270	1	1	1	8148	1	13718	1	1	1	1	1	1	1	1	64046	1	1	11931	64555	10251	17817	21543	14096	19256	19065	14387	18120	1	14993	1	1	13201	10687	1	1	8830	1	1	13266	1	10832	13058	1	70916	6853	1	9469	47037	7195	79869	10384	12349	1	14334
340.26@1.1375836	13255	12859	8475	1	10290	11929	1	17065	1	1	8947	1	8640	10966	11609	13412	1	1	7324	1	9780	1	11178	8708	11375	10247	1	1	6791	1	1	1	15383	14552	10956	12578	13704	12673	14051	14144	12452	9653	10444	11274	1	1	14955	12345	1	10179	16613	19175	22196	21014	16839	17666	13851	16107	1	1	12329	9796	1	1	13659	13235	15942	17201	1	8230	1	7506	1	15633	1	1	1	6077	9597	8769	12808	12023	24867	22666	9987	11514	13126	12453	13849	13040	11467	9641	16322	17189	21779	22443	8267	1	1	1	8789	9524	11285	11323	13499	14134	12702	11531	10047	11134	1	1	15448	16374	18912	24218	21799	21798	19343	18991	16121	15397	13037	14032	1	9559	1	9510	9300	8371	1	11036	13248	1	11418	12613	12878	17343	12325	14577	9777	11429	12079	10033
540.4369@1.1481591	1	1	149701	1	136010	166512	1	1	1	281407	1	1	1	1	1	1	1	1	1	1	120489	119181	1	1	4267	1	1	1	87312	1	1	1	1	1	1	1	1	1	1	1	325073	354842	4393	312166	1	1	1	1	1	1	243977	1	1	233459	1	1	1	1	1	1	205916	1	1	1	3995	1	4001	1	61829	1	1	1	1	195848	65878	75805	1	1	1	157418	1	1	1	1	1	1	209092	1	257676	265973	1	1	1	1	1	1	1	1	1	1	1	1	113824	98665	1	1	312197	324397	250074	214786	776821	810682	842861	865269	1	1	1	1	1	165071	353376	1	279377	1	1	1	1	1	1	1	1	1	1	1	5670	1	1	9576	1	151514	184429	1	242973	278063
518.3951@1.1366569	1	1	83904	1	83428	1	1	82467	75273	75600	1	1	108278	1	40182	1	1	1	51478	1	44334	44866	1	1	43090	1	22201	24908	1	20200	79797	1	1	82653	50059	76340	66847	68358	74346	53950	1	66108	103085	1	69580	88558	1	72622	1	63741	1	1	1	1	126599	1	132131	1	1	1	65194	1	1	52223	68813	1	1	1	1	1	30596	26338	1	1	34014	1	68126	1	61839	51466	1	1	1	1	44882	1	79804	1	1	88657	1	1	50981	1	129520	106650	47316	1	32778	1	1	1	1	45139	1	1	54507	1	1	52835	143410	1	1	1	1	1	98991	1	88271	1	73765	54186	1	58615	1	34431	51901	1	1	57433	63118	60118	1	61257	1	1	39046	85690	1	1	88083	91227	94139	1
400.3325@1.1389365	7522	7853	10554	10757	13378	11855	9723	12127	9694	9866	10679	9646	26775	18496	19784	22605	5215	1	1	1	8683	9140	6251	7321	1	7719	1	1	1	1	12418	12249	8909	9395	1	8917	14345	13387	13740	14030	11724	11655	12806	12324	11546	12229	9485	9433	9220	9412	16433	15870	12844	13352	12301	12131	12033	12732	26531	26640	6697	6948	6156	1	11898	11922	16508	13322	1	1	1	1	10612	10214	1	1	7837	7553	1	6646	1	1	6727	7045	1	6102	13645	21717	19146	17568	8232	8736	1	1	19103	30924	6897	7533	6408	9819	5880	1	1	5031	9518	8420	14189	15144	14463	13885	17306	18761	20163	19978	8091	8321	11343	11473	14782	16646	10073	9817	6570	6959	7381	1	6381	1	6371	1	1	1	10769	9710	1	1	1	1	26360	24907	32484	26943	21428	21082
16,16-dimethyl-PGA1	12994	13942	10411	14917	15179	15729	12599	13096	10882	11208	10186	8076	13238	13699	17451	16105	1	1	6509	1	9875	9690	7520	6873	6942	6728	1	1	1	1	16528	14677	11842	13744	11302	12294	15411	14905	13964	14099	16976	16770	18104	19235	12758	13108	8536	8034	7754	9136	20485	20090	17811	18699	16951	16673	17939	18809	22942	21542	12076	11268	12471	11206	13611	1	13439	13376	1	1	1	1	16526	17445	1	9103	10602	9939	11632	10531	8345	1	13275	13372	11128	11631	14818	15599	1	15889	12621	11404	1	10454	22761	20102	7933	9124	9009	7979	5967	1	1	1	10913	10269	14650	14504	14907	16620	16131	15030	16843	1	12971	13670	12948	12416	17701	17474	14474	14206	10977	10118	9332	9240	8051	6032	12875	11318	8484	12394	14971	13754	1	1	1	6297	15204	15841	18065	17977	19069	20167
MG(24:1(15Z)/0:0/0:0)	33220	34190	30667	26524	33567	32630	36765	44859	42122	41373	1	18828	37489	35130	31861	31916	1	1	13279	19899	34952	35256	23091	22529	28233	26499	19550	19222	17472	20099	1	23138	1	34075	21847	34903	29025	25781	27267	21389	56026	56318	54302	52288	43653	44909	1	32550	37962	33501	36228	37942	34120	40943	41121	39912	44461	35785	25110	26642	33842	31876	26583	28324	50091	55386	47939	46243	15844	12985	14074	13548	1	28097	18213	19031	30175	26225	26786	22959	32237	28839	34871	16758	20362	19364	42779	33659	40938	39360	43048	41736	33337	35103	45641	41365	25204	27736	29355	25612	14388	14503	16440	17544	1	24425	34816	36309	28516	30289	117408	110842	123618	126171	32381	34189	23734	25022	35475	37044	51259	51515	35968	38859	23554	17267	28206	19624	41196	35650	39295	38721	19974	22528	89917	88086	79284	80552	34043	32844	35159	37604	36746	41510
552.401@1.1431041	19829	19686	44834	51565	36271	17677	1	1	1	25928	16795	38281	27844	31429	1	39303	10875	10941	22871	1	1	1	1	26974	14926	1	10387	1	16411	9159	1	20633	18742	32960	1	1	20797	1	16281	11613	25873	1	1	1	1	26025	1	1	17725	1	65949	1	1	30570	1	61237	28254	40226	62117	1	20806	18953	21967	1	23881	25055	19161	13835	15392	1	9389	18664	21154	1	6204	7609	1	1	16442	28209	11775	37959	20554	1	1	9686	24396	19273	1	1	1	19972	25839	1	1	1	1	29038	1	1	9923	1	1	11851	20725	23446	11841	41545	1	17115	74796	71395	55043	173838	1	39745	31504	42539	25108	59592	25845	30308	21644	52383	14166	9338	8823	9582	27274	28406	33178	18866	1	1	32273	20248	28692	31139	1	37379	38381	22508	69712	33239
434.3015@1.1408932	1	1	1	10832	7593	9728	1	10593	1	7751	5385	5380	1	1	12604	11693	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9382	1	1	1	7109	7460	8097	8418	7906	10957	9600	13201	11742	10285	7679	1	7042	1	5501	1	11891	13441	12373	12625	11653	12514	12323	13590	11072	10048	8612	6411	7322	7570	8546	8009	1	1	1	1	1	1	6417	1	1	1	1	1	7148	1	1	1	8036	8606	1	5334	9915	1	11080	11134	7224	1	6151	1	15807	14846	1	5396	1	1	1	1	1	1	1	5743	7235	1	1	7201	22160	18031	19643	19837	12268	11199	10158	9790	1	1	1	9842	1	1	1	1	1	4461	8481	6597	10818	1	9612	9675	1	1	1	1	7537	7922	1	8040	11799	12204
418.3426@1.143109	1	1	1	1	5499	6717	1	58100	5611	4904	1	4402	7692	1	10262	9698	1	1	1	1	1	16847	1	1	1	34165	1	1	1	1	5648	5733	1	1	1	1	6134	6590	11794	5196	7407	1	1	12625	5724	1	7875	1	1	4924	68895	5282	8825	1	1	6348	4980	6011	6817	7118	44823	1	1	1	1	1	14944	1	1	1	1	1	1	1	1	1	1	4890	1	3016	1	1	1	1	1	1	1	1	7062	6971	1	1	1	1	8553	1	22742	1	1	1	1	1	1	1	1	1	1	18393	5135	3821	25113	24055	17505	44672	12508	4784	4931	1	6299	1	1	1	1	1	1	1	1	1	1	1	3728	1	1	1	1	1	1	1	2682	9783	7900	1	6228	8475
C30 H60 N5 S2	1	27345	1	1	1	27856	48693	52746	45436	32953	17966	1	41447	43588	3353	44884	1	8325	1	9800	24201	22344	18609	1	1	20260	18407	20810	1	1	31025	25291	21894	1	24074	1	20849	25262	23467	24586	25699	1	2387	9076	12458	32932	1	1	21590	29476	1	43268	43109	1	38236	7823	34658	7910	1	22919	34468	24488	24380	28387	32258	42118	32312	25563	1	1	1	1	25045	17610	8062	1	10634	26900	20730	1	20539	13401	25966	30062	1	9847	1	28662	30013	43096	35256	43953	8667	50478	54637	44210	17212	1	14376	15704	1	16722	16313	19775	20985	12384	18423	1	17206	20015	141416	141880	104159	1	6306	9665	6583	1	16732	1	41425	27423	32084	21043	14009	14715	16593	19852	37891	19418	59529	50347	17263	1	56265	82334	62825	73160	23173	1	1	27283	12169	26368
145.0528@1.14416	70154	76275	47190	44844	55322	58412	26377	23551	36294	36226	33886	33854	47501	47378	60178	63928	28400	34697	37280	38361	38094	41017	75550	73919	41609	39535	42432	45626	35305	37357	67225	75674	49055	51633	30387	30289	78685	82077	54775	51718	50955	52311	53383	53843	59010	58110	62783	57329	54351	64389	61435	62276	86890	88496	55896	57520	46882	46836	49823	46817	43103	43917	60161	62526	105450	104367	75635	74933	56900	55187	45974	47915	37906	36118	29824	27928	37959	38287	53471	50950	52220	51482	108593	109691	89237	90973	56372	58824	43093	45833	55042	53549	40489	41968	61659	63208	40014	37343	63590	63799	42922	38674	54262	60604	87274	87855	79364	73320	65965	65757	43671	43052	84108	81733	77203	72732	45534	50319	64037	68055	48422	46865	22870	22538	71481	76400	62101	61373	97751	99153	59313	59803	45658	46802	51240	49551	70459	73950	62996	63729	85130	83834	59433	55548
484.3743@1.1462227	67077	69508	71833	66914	68954	70067	136485	155728	124003	121385	42159	44871	93244	79573	101204	99113	37446	41833	37447	38243	57193	65230	44189	38827	57184	57275	28195	27363	26398	25802	74798	64461	49180	54181	44464	47214	67617	68286	60577	59233	99753	102772	96536	103154	95612	104938	54521	57928	61183	60456	84341	77911	82876	83074	89268	89605	87197	88981	67117	78722	55793	60282	50391	58197	75595	76268	69364	71650	25256	25718	27952	25173	90272	92057	34675	34865	55041	54100	48321	51253	37981	40861	74191	73133	28031	21792	77361	76173	71331	81378	97585	95941	85077	82211	136588	140815	42005	42903	43493	34780	39710	40592	38250	39093	68757	62884	51001	51781	45159	43911	228270	229602	234204	245584	91778	84747	69319	77227	75881	77733	87625	93376	64599	68228	42777	40536	46312	45106	80628	79766	84494	88086	51915	57179	146556	136224	139098	135233	46316	65450	68416	68852	100486	96129
320.2704@1.146264	8931	8035	13825	15954	15662	15972	13706	10466	1	8420	6879	1	13923	14272	13443	12683	6279	1	1	1	8711	8827	1	1	1	1	1	1	1	1	14094	13299	7355	1	1	5992	11941	12421	12437	11712	11578	11356	12495	12051	11729	12269	8432	1	1	6613	15975	19091	13105	12891	15173	15195	14947	15359	21435	17936	9165	1	9188	7732	6797	7156	8765	8155	1	1	1	1	1	1	1	1	10383	8915	7235	8238	1	1	1	1	1	1	11882	12457	13482	13536	9307	8848	8423	7931	16516	20432	1	1	1	1	1	7642	1	7841	7674	8279	11044	12567	9651	10000	14593	21951	17007	15228	10636	10774	11872	11208	11102	12425	7639	8873	1	6964	1	1	1	1	5874	6033	7447	1	1	8516	1	1	1	1	15568	16022	17701	17573	19759	22009
5,11,14-Eicosatrienoic acid, 8,9-dihydroxy-; 8,9-Dihydroxy-5,11,14-eicosatrienoic acid	1	12997	9411	8720	7052	8027	11186	15129	10187	9926	7731	1	7710	1	8039	1	7359	1	6350	1	7904	9894	7813	8434	3686	6968	1	1	1	1	14202	14703	13677	10507	10778	9873	8927	8606	9888	10134	8313	1	35163	7748	12773	10467	8854	9620	10387	9063	17269	16004	13542	17278	12123	11869	11387	11799	12809	12311	12747	1	1	14255	13034	12373	8943	9469	1	4690	7687	6744	50554	12395	7847	1	7685	1	6627	7078	1	12248	1	18177	10878	15991	10814	9768	11379	12026	1	9414	10342	9119	14802	16229	7136	8472	1	9002	1	6424	6484	5078	9152	10369	9839	1	9950	9494	10261	12039	10915	10882	14198	12559	10255	11947	11637	13210	1	11594	1	1	7947	6386	1	1	9487	1	10492	7427	8399	8303	6855	1	12973	1	1	1	9663	1	10100	9958
324.2288@1.1500573	12359	12051	7426	1	1	6633	1	1	8305	6994	1	1	1	6700	1	7595	1	1	1	1	5878	1	1	1	7160	1	1	1	1	1	13087	11735	7272	1	1	1	1	1	1	1	1	1	1	1	8611	9532	7887	1	1	1	10644	9600	10180	10346	9003	8704	1	9583	10738	11077	8565	1	9414	7450	12484	12441	8793	1	1	1	1	1	7593	8042	1	1	5291	1	1	1	8555	7694	14272	15853	11949	12163	7393	9417	8139	8606	1	1	10133	8774	10504	8755	1	5328	1	8170	1	1	1	1	4990	1	5771	7034	1	8035	1	9946	12267	1	14265	11937	7598	1	1	12930	1	10439	6081	1	5960	7248	1	1	1	1	8332	5874	1	1	1	1	7239	1	1	1	7831	1	5290	7429
314.2445@1.1455115	1	17985	15518	14110	11369	1	1	34567	18558	20170	17673	16204	16965	1	1	15390	14315	1	1	1	9376	11103	1	17211	1	1	17067	1	1	1	1	1	22382	1	1	25070	17102	20370	1	17504	22165	1	11849	13013	28104	28160	1	14040	12954	1	1	23421	28516	1	23001	23848	25384	1	1	1	19692	11806	11099	19743	21535	1	14672	13565	15094	12006	1	1	23718	31760	1	11700	20187	18935	1	16608	26464	1	1	1	1	1	1	26011	21652	23731	34894	12734	19400	21995	26375	26567	13054	1	1	12515	16742	20574	1	20077	1	12600	18992	18376	15176	13028	40868	19290	34100	1	43714	1	29492	1	19111	1	18682	15022	1	15364	31545	1	1	22704	15244	14836	26630	29151	1	15926	1	1	34279	36307	16128	19552	16183	15629	15232	12692
553.3599@1.1449286	1	1	1	1	1	1	1	1	5291	1	1	1	1	1	1	1	1	2951	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7479	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4795	1	1	4483	1	1	1	1	1	4883	2543	1	1	1	1	1	5762	1	1	1	1	1	1	5057	7764	5845	6608	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5480	1	1	1	1	1	1	1	1	1	1
490.364@1.1495603	53097	1	84385	1	62764	79442	72096	78273	64401	64290	1	40697	76236	1	83303	60522	1	36511	1	45739	54218	30406	39088	29798	1	1	24037	1	19100	18076	88340	60653	52698	48705	34870	1	1	54326	46390	45725	99960	139050	145672	160271	1	1	84748	48262	51719	43764	83511	70857	69023	1	81415	1	92279	85898	93697	85408	1	1	65322	56533	52313	47017	68698	61445	21755	20329	9638	22136	44044	43038	18672	24300	1	30121	1	41915	32723	30929	40839	1	42721	32655	1	70195	64969	68368	1	48906	1	29874	78905	1	54910	32760	35061	1	33928	24849	33627	26393	58452	41867	46564	52647	49866	46463	140984	162295	138844	151649	1	1	62973	72654	1	59233	63947	67584	1	43999	1	29768	24758	30125	53136	34784	57850	38867	1	30616	1	1	3211	1	1	68865	82365	78354	77047	100266
284.1154@1.1490173	22378	24560	1	11725	12404	1	32890	37349	7056	1	22170	21416	69086	70300	52894	55215	29172	27857	1	1	42467	42426	22802	1	11597	1	34530	33965	31433	27539	26316	24557	51386	52196	46664	44566	37112	38576	30604	33233	1	1	9561	9164	14110	14004	1	19444	1	19676	34895	33415	1	10935	13108	13675	23246	22859	11483	11175	16870	14458	1	10698	7470	11935	26677	27782	1	1	1	1	1	1	13451	12348	27597	26893	16297	14180	13815	12466	41530	42779	22897	21824	1	11106	34129	39262	17549	17154	22542	20558	45315	47542	27468	26039	1	13725	13237	1	14627	12363	14232	1	26425	21196	23519	23622	17090	18694	35078	35140	19328	19475	38105	39126	23264	1	18041	16166	13815	13484	15902	16402	13959	15802	42591	45548	28293	27035	20761	17367	24926	15238	1	1	63623	60177	41466	43244	22718	20222
586.3333@1.1449503	6428	6200	1	1	1	1	6104	4277	1	1	8060	1	1	1	1	1	1	1	1	5411	1	3779	9215	8586	1	1	1	1	1	1	1	1	10210	4028	1	1	11252	1	7217	6153	3937	4542	4749	5426	1	1	3928	1	1	1	7442	4791	6474	5602	1	1	7051	6476	1	1	9370	8528	1	5466	1	1	11431	10348	7109	8323	1	1	1	1	1	1	6667	1	1	1	1	1	11785	11327	9326	6685	1	1	1	1	1	1	1	5713	10825	9707	1	1	1	1	1	1	1	1	1	1	1	1	1	2610	10736	9473	16291	16972	13810	15624	1	1	1	7647	3682	1	1	1	1	1	1	1	4775	5410	13862	12271	1	1	1	3412	1	4252	6827	6441	23736	22854	7202	1
458.3588@1.1496443	14159	14508	10453	11480	12092	12515	18059	18986	16757	13737	1	5901	12972	11101	12508	12789	7096	6735	6205	7297	10916	11197	7129	7733	11467	10728	7276	1	7707	7290	9935	10430	11178	10586	10833	11735	11969	12388	10881	10413	28254	30040	28100	29588	13307	14959	12808	11762	12623	14278	15848	16102	16528	16753	22337	22895	23177	24659	9273	8507	12658	14025	15479	13117	17282	19546	14840	15743	8557	8214	7056	6995	7369	7929	3762	1	13391	14973	12664	13100	1	6711	10532	10507	1	1	15520	14575	15787	16996	18538	16740	14316	14169	18359	16584	12997	12733	13571	12623	1	1	5046	1	11169	11383	15976	12549	8851	9240	48721	49941	53156	47683	15133	14463	14207	14012	16186	16009	20648	22776	15186	15405	9033	8789	9649	9376	22370	18718	22894	20783	8861	8796	31883	31029	29742	28409	11925	11586	14782	13181	19851	19446
312.229@1.1503309	1	1	46423	50549	31638	35132	1	1	66696	66648	55705	60404	45454	47380	4348	41519	38075	40734	32366	31287	70945	72278	1	1	42803	42994	59878	59335	43758	46606	48123	1	92068	94274	100390	106779	69561	1	58672	61262	47776	48110	34128	36205	105303	1	55529	54746	1	1	104009	104426	1	82460	61231	58118	59361	55697	1	52055	35897	31798	6739	1	67856	70658	41076	43449	34379	36900	34700	35712	1	1	30653	33214	52471	47379	54186	55677	172086	169331	1	142075	1	66560	91713	89601	68778	65739	55188	51815	50877	52327	1	1	51973	49172	51870	51449	51759	51407	7513	48573	31121	29962	100068	104385	47838	46331	1	48070	37594	37672	95168	1	1	1	59517	1	49255	50885	60783	55803	46857	1	1	54824	59104	59250	49151	48757	25645	23225	1	69147	1	63074	46523	45928	52338	52652	54354	53715
272.2343@1.1464999	1	1	15050	1	1	13460	19564	17941	19437	17122	18606	15921	1	10525	17735	11389	1	1	1	6461	1	1	18812	24148	1	5450	1	1	1	1	10128	9871	19304	21388	1	12949	10432	1	1	16080	1	1	1	1	18541	1	18254	5161	12180	9849	13257	1	1	6313	1	27099	18869	1	1	12994	1	1	6591	13476	1	9090	16767	1	9134	10457	8462	1	1	8209	1	1	7648	14564	7510	1	15947	22502	13108	6787	1	1	1	13377	1	20582	1	1	1	1	1	1	11842	11862	4379	1	1	17803	1	1	14444	9070	14637	1	23269	25232	16697	1	9106	1	48814	1	36756	14327	1	3791	10488	10137	9864	6965	21103	17986	1	4122	32635	1	1	7728	1	1	1	20385	1	11522	1	16918	1	21229	8895	1
536.2409@1.1483042	1	1	2718	1	1	1	8114	6823	1	1	1	3278	12168	1	8266	9082	1	1	1	1	6644	7515	2898	1	1	1	3817	5514	1	1	5137	1	7565	1	7841	7202	8479	5279	1	6326	1	1	1	1	1	1	1	1	1	4144	6735	1	1	3788	3161	1	4891	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2984	5379	1	1	1	1	6125	1	1	3059	3436	1	9307	1	1	1	1	1	7484	15539	1	1	1	1	1	1	1	1	1	1	3582	2560	1	3772	1	1	1	12573	1	1	10699	6077	7808	1	1	1	1	1	2130	1	1	1	1	5935	1	1	4213	1	1	1	1	1	11625	6998	1	2685	4039	1
236.1773@1.1359499	1	10342	3757	1	1	1	38083	15991	1	1	1	27897	10010	41879	5132	1	1	8503	1	1	5926	9351	7461	1	1	1	1	5391	7885	1	1	7068	14486	16114	30743	1	14048	1	23048	1	4578	41348	34110	11910	5773	5938	1	4554	1	1	9510	19747	1	1	1	5132	4672	8086	7190	7254	14683	5793	1	5502	1	1	15087	6408	1	10836	1	9746	1	1	5067	5781	1	1	7210	22729	9334	23012	6484	1	3857	1	1	1	4532	1	24348	1	1	1	1	1	1	1	1	1	1	9225	1	1	1	25378	9208	1	1	16005	34617	13595	17504	14973	16244	56232	12591	53050	9169	9473	1	1	8553	9438	4359	1	1	1	1	5755	1	1	8680	23357	5885	7134	16257	15737	9216	9215	1	1	49904	6725
643.2265@1.1547956	4671	1	1	1	2690	1	7849	7595	1	1	7968	6711	20423	19676	16585	17548	10324	10432	1	1	15286	15848	8946	8925	3355	1	1	11650	12085	10974	9679	10545	19777	20861	16978	17756	13906	16100	11438	13064	1	1	1	1	5206	1	6620	7071	6856	8081	13552	7139	1	1	4873	4250	9847	7447	3941	1	7502	4671	2597	1	2286	1	10826	11179	1	1	1	1	1	1	1	1	10650	9030	1	4173	5445	5151	17463	15649	9098	8291	3354	1	13296	15877	6446	5624	1	1	17313	14816	10010	10072	4181	4822	3806	1	1	1	1	1	7921	7778	8414	7998	5703	4701	11479	10751	1	6520	11938	11414	6535	5949	1	1	4905	1	5897	5323	1	4980	17366	15029	7992	8430	1	6428	1	8567	1	1	21996	18792	14886	13143	6912	6312
310.2132@1.1540486	98029	100021	22737	22110	21988	16185	30238	31841	21803	20655	20279	21582	18921	20546	28842	29449	15133	15392	13076	12692	23060	25255	27245	26843	16929	16832	15599	16002	10398	10512	32964	32282	31867	32355	27988	26591	31695	28611	32823	33831	38587	39096	36498	36473	46177	41253	37139	37311	44342	42177	32939	34690	33376	31505	35094	35406	40757	37885	32704	32198	26958	27276	35973	36719	27583	27379	19922	17533	12785	13776	16217	15348	28409	27419	12240	13261	20380	18691	55437	57881	42993	42515	57788	56032	23271	22853	25506	26746	22969	24551	21643	20682	27833	25282	31761	31228	16067	16345	17621	16969	14347	15389	19144	20339	21945	22744	127679	128552	16853	17020	28838	27121	20315	18171	56290	60500	34297	35919	30935	31088	21015	23004	18816	19198	19828	20282	18113	19009	19495	18339	17787	18218	13991	14406	22690	21205	21020	19851	16876	18654	20721	20955	89037	90104
556.4315@1.1663256	4299	1	1	1	1	1	1	1	1	1	1	1	1	11211	1	13117	1	1	1	1	1	1	1	1	1	6182	1	1	7297	1	1	7227	7438	6678	1	1	1	1	1	1	13453	10710	11797	1	1	1	8207	8691	14086	1	8057	1	1	8494	1	1	1	7309	1	1	1	1	1	1	1882	3668	1	7714	1	1	1	1	1	8493	1	1	6920	1	1	1	4205	1	8338	1	1	1	1	1	7203	1	7451	1	12300	1	12038	10138	1	1	1	1	1	1	1	1	1	1	1	8246	1	6163	6383	12821	33047	1	5966	1	1	1	8783	1	1	15181	1	1	1	1	1	1	11562	11409	1	1	1	1	28211	1	18264	1	1	1	1	1	9744	9626
357.1769@1.1580157	6214	6762	1	6417	1	1	1	10243	9531	9101	1	1	1	1	1	1	1	1	1	1	1	8242	1	1	1	1	1	1	8882	8034	6305	1	1	1	1	1	5589	1	1	1	1	1	1	1	1	1	1	1	5244	5902	1	1	1	1	1	1	1	1	1	1	7681	7653	7429	6907	1	1	1	1	1	7730	1	1	1	1	1	1	1	1	8205	1	1	1	1	1	1	1	6861	6971	8593	9040	6746	1	1	1	6426	6753	8463	7789	1	1	9569	9617	9867	7090	6215	1	1	1	7986	8649	9102	7371	7633	10244	9753	10039	8582	7879	7655	7208	11552	11423	12152	11750	1	1	9413	7420	8907	7249	8766	8392	11954	10832	1	6014	11507	12125	6533	7803	1	1	8078	7731
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756.0792@1.1652324	7852	7921	8289	8022	6979	6136	1	1	4187	4792	6569	1	6319	1	3490	3601	5385	5590	5842	5462	5519	4982	6358	7007	4426	3680	4805	4595	1	4102	1	1	6449	6278	6592	6578	5313	4723	1	1	5443	4773	5476	6364	1	4041	1	5298	5925	5669	1	2781	5607	6417	5196	5786	4633	1	5727	7071	4283	3243	5273	6087	5744	4405	1	1	4523	4832	5918	5932	5947	5969	5637	1	6530	6487	4303	4817	1	1	5140	1	4683	4766	4810	1	3783	1	4030	3991	1	1	1	1	1	1	4593	4720	1	1	4307	5296	4511	1	5221	5861	7292	7007	1	1	5642	3957	5883	5341	5794	6650	5142	4764	1	1	1	1	1	3181	1	1	5902	5654	3610	3903	1	1	1	5013	1	5689	6412	6238	4724	4494	1	1
303.9918@1.1663747	1	1	1	6036	1	1	4177	7743	1	1	1	1	4215	1	5432	1	1	4198	3661	1	1	1	4862	6576	6769	1	4398	7500	5386	6274	5623	5325	5061	1	1	5684	5304	1	1	5497	1	6831	6236	4878	5531	5542	6683	6850	1	1	5540	1	5781	1	1	1	1	1	7300	6086	1	1	1	1	1	5518	3872	5988	1	7524	5864	1	5039	5906	1	1	1	6163	4911	5982	4140	9776	1	5418	4722	7447	3162	4998	1	1	1	1	1	7254	4725	5459	1	1	4265	5306	1	1	1	1	1	1	1	5033	1	4398	1	1	4311	4643	1	1	1	1	1	1	3954	1	5764	1	1	5928	6352	5916	4509	1	5848	5657	4739	5299	1	8655	4308	4516	4168	1	1	3811	1	1
258.1827@1.1670085	29718	30058	21164	20374	1	1	16767	1	12416	11686	15908	17060	1	8006	1	8983	20903	21015	11857	11331	15840	17806	1	18170	20055	16656	35440	38144	43155	40447	18356	16725	17060	17548	18241	20474	1	18974	1	27164	15361	16570	1	8174	14092	15157	46202	51276	59568	67377	21972	21251	26712	28025	8558	10042	10006	1	45825	1	33777	30396	32477	32222	18296	18136	25170	22562	21211	20106	23945	23001	1	11894	1	1	14648	13702	16893	17780	30450	30941	51061	47868	18768	18637	17810	19299	20386	1	1	1	9881	9957	18053	20983	15244	15732	48556	51854	1	1	15181	15631	9274	1	17696	17036	41721	42345	20857	20895	1	16766	21297	19248	1	9166	19232	18808	17665	16781	15695	15556	27117	26559	23016	25371	14416	14247	14988	14008	1	1	21519	23039	19031	20112	1	12893	1	14718	1	1
189.0781@1.1647142	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7418	1	19727	19118	19854	16439	15301	17020	6428	5679	1	1	1	1	1	1	9113	1	1	1	4941	1	1	1	1	1	8291	8594	4724	1	1	1	1	1	13263	12225	1	1	1	1	1	6906	1	8696	1	1	1	1	7328	1	4043	1	1	5901	1	1	12013	12431	6642	5411	13313	15231	4583	1	1	1	1	6744	1	1	1	1	6911	1	1	1	1	1	1	1	5004	1	1	6148	1	3949	1	1	1	1	1	1	1	1	6399	1	11946	10510	1	1	1	5616	1	1	1	5597	5785	1	1	1	6506	6806	1	1	1	4851	1	1	1	1
300.2653@1.1662858	1	1	1	1	1	1	1	1	1	1	1	7250	7730	1	7225	1	1	1	1	1	1	1	1	6566	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9212	8944	1	1	1	6793	1	8164	1	1	4656	1	1	1	7180	1	8905	1	1	1	1	1	1	1	1	1	1	1	9625	1	1	1	1	1	1	1	1	1	7564	1	1	9741	1	1	1	1	1	1	1	1	1	1	8702	1	5256	6269	10518	11646	10044	10665	1	1	1	1	1	1	1	1	1	1	1	8365	1	1	7639	10975	1	1	1	1	1	1	1	1	11093	11208	1	7859	1	1	1	7968	1	1
210.1614@1.1688744	38556	1	10625	66793	9373	23792	15541	14814	1	1	9361	22255	27211	27313	16086	15770	9071	8387	8404	8517	13388	40188	6518	23969	22528	25242	35455	35264	1	20718	18637	20019	25507	34133	20365	21811	15069	15285	8582	8891	60137	59391	18535	22353	16454	30980	56470	15664	47887	13005	78078	23069	22869	32365	25815	14229	13793	73607	71586	68578	11043	53471	42123	39164	29280	50912	37833	80612	1	9579	9378	1	20810	18605	5582	11100	22748	28017	13963	45490	30866	9839	1	57245	21180	21372	14634	64121	37799	16746	53834	40742	1	1	1	25229	3331	25814	1	18618	19369	8921	24206	10114	22445	54832	62982	25992	8713	38997	26345	32078	19035	7325	18421	18014	12355	23940	72977	30991	1	8740	1	12640	40136	11074	10488	1	8956	10443	12437	48301	10522	8984	1	11278	1	15671	15920	44305	53054	16497	11238	1
482.359@1.1615087	1	1	69598	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15428	37023	1	17706	1	1	12328	28920	14210	1	18356	1	1	65175	1	1	30379	1	1	1	74621	1	1	134342	1	128975	65208	1	1	25921	1	1	1	1	1	1	38039	1	84826	1	1	48689	51016	77363	41933	1	88386	68586	1	1	1	1	20791	1	1	75058	1	15761	19094	1	1	1	1	1	1	1	1	19439	25321	1	87839	41230	90899	1	1	81381	90091	152874	1	1	1	26596	46739	1	1	1	1	78455	1	26293	1	43549	25893	1	246165	263931	267546	61192	131044	49644	62274	105408	86254	88298	101200	1	1	1	1	18731	1	1	1	1	1	28041	1	1	1	1	1	1	1	40259	1	116273	96409
172.1099@1.1687617	6309	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9287	1	10782	10494	1	11427	10973	1	1	1	1	1	1	8979	1	1	13083	1	1	9390	11002	13825	1	1	1	1	1	1	1	10362	1	1	1	1	1	11832	11114	1	8715	1	1	1	1	12957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6172	1	1	1	1	1	1	1	1	1	1	1	8690	1	1	1	1	1	1	5721	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6041	1	1	9918	1	1	1	1	1	1	1	1	1	1
509.3776@1.1375333	1	1	1	1	1	1	1	1	1	1	1	1	1	14401	1	9188	1	1	1	1	1	4548	1	1	5683	9862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17933	1	1	1	1	1	1	1	1	1	1	1	1	8236	1	1	1	1	1	1	1	1	1	10279	1	1	1	1	1	1	1	1	1	5662	1	1	1	1	1	1	1	1	1	1	3406	1	1	1	14144	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11909	1	6358	1	1	1	1	1	1	1	13861	13602	1	1	1
256.2393@1.1539626	8917	1	19019	1	11695	12841	1	1	1	1	1	1	1	14288	1	1	11689	1	1	1	14588	8052	10185	1	1	1	1	9927	1	1	1	13822	1	1	1	1	1	1	1	12187	18821	14026	11418	13516	1	1	12394	1	1	1	1	1	1	1	1	15466	1	1	11133	12816	1	11345	1	1	1	15915	1	17335	13352	17011	1	1	9237	1	12515	1	1	1	1	12896	1	1	11422	12859	10629	1	1	1	12781	11318	1	1	11248	1	1	10886	1	1	13985	1	1	12030	1	11846	17746	1	1	4592	1	14668	12549	1	11133	10865	13437	8666	1	1	1	9312	1	1	1	1	1	25374	20083	1	1	12298	1	13457	1	1	1	17088	1	1	1	1	1	10343	1	1
7-keto-stearic acid	10793	10434	14843	14494	47255	46206	32235	57718	56988	55719	30432	18161	27485	23802	48499	23413	22945	23236	17579	16728	33314	27198	23709	27031	18453	43152	18887	20409	14372	15932	22227	22089	32798	40333	33565	27265	30694	43531	27400	28883	19969	51860	15844	16392	21060	14331	31555	29730	20589	19663	26936	23771	24349	21064	22796	22571	24567	26163	20352	25820	48314	19527	18750	18723	22253	21854	18232	16270	18948	36125	15023	13825	12937	13210	13991	12727	22678	27165	24687	23944	34042	37525	25665	28735	24065	25249	28276	20845	19487	20847	19123	21215	15515	15432	16944	31604	18026	16331	15882	16163	25660	20946	21161	27317	20919	23154	40618	41749	30210	33661	23896	23544	22532	25875	20055	35806	38427	28462	13830	13890	30665	28043	21628	21668	33135	33977	35716	36938	131649	25352	35675	23398	9039	8684	33491	33937	26446	25500	24483	29307	29459	29687	10813	10483
208.1458@1.1628333	1	1	1	1	1	1	1	1	1	1	5784	1	15158	1	1	1	1	1	1	1	1	1	9231	1	1	10740	1	7960	1	1	1	1	9359	10126	1	1	1	1	1	1	1	1	9612	16117	7032	23838	1	1	1	1	1	1	1	1	1	11675	8867	1	8925	16915	1	5614	1	1	1	1	6458	6871	1	1	1	1	1	1	1	1	1	1	1	11730	1	13102	7017	15677	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9685	1	12589	18224	16846	28988	14728	30600	34011	15688	16917	11471	9031	1	1	13275	9993	1	4615	1	1	1	1	1	3354	1	1	8998	1	1	3983	1	9512	1	1	1	9666
330.1819@1.1705	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18084	1	1	1	1	1	1	1	1	14565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	35534	43249	1	1	1	1	1	1	1	1	1	1	14163	1	1	11181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7179	1	1	1	1	1	1	5410	1	1	8259	1	1	1	1	1	1	1	1	1	1	14531	1	1	1	1	1	1	1	9117	1	8718	1	1	1	1	1	1	1	1	1	1	1	1	1
486.3329@1.1497577	1	1	1	1	15059	1	8184	6811	1	1	1	1	5459	1	6392	6230	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7313	1	4372	1	1	9397	6553	1	1	1	1	1	1	1	16552	13937	1	1	1	10196	1	10555	1	1	1	10561	1	7008	7866	8378	1	8209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34448	10168	11598	4934	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9270	1	1	1	1	35302	1	1	1	1	1	7037	6161	3742	1	1	1	1	1	1	1	1	1	1	3069	1	1	1	14674	44107	6103	1	1	8404	1
296.2339@1.1714206	6685	4822	7190	7246	1	1	15898	1	1	1	9511	9630	13741	11589	15476	14883	9191	1	1	1	11180	1	11389	8942	1	1	1	1	1	1	10492	8838	14763	14115	11946	13736	11738	12509	11348	10905	8696	1	1	1	11991	1	9623	1	7177	1	12702	14819	10223	13459	11590	1	11277	1	13291	13528	1	6919	1	9291	6978	1	1	1	1	7399	1	1	15385	6634	1	1	8728	7024	1	6717	11273	11511	11302	11605	1	1	6180	7671	9407	8079	8407	1	1	1	12237	12499	1	1	1	1	8875	12191	12785	1	10478	10681	9314	10194	9468	9508	12308	13532	10877	11923	16365	16564	20656	20660	1	1	11017	13111	1	8845	12068	1	13333	12680	11222	9454	1	9764	6352	1	9054	15241	1	1	1	10058	11542	1	1	1
270.2182@1.176579	1	1	1	1	1	1	1	1	7151	1	1	1	1	11604	1	1	1	1	1	4460	1	1	1	10114	1	1	1	1	1	1	1	1	11611	11408	1	9226	9821	1	1	1	3637	11715	1	1	7638	5420	1	1	1	1	34581	1	1	8529	8108	1	11024	1	6295	1	1	1	1	1	1	5655	1	1	1	1	1	1	1	1	1	1	8606	1	9792	1	1	10579	1	1	1	1	1	1	8278	7407	28942	1	1	1	1	1	1	1	1	1	1	1	1	7058	1	1	18295	15065	9172	10240	1	1	1	7881	1	1	11124	12704	1	1	8665	9264	1	1	11494	1	10265	9959	1	1	1	1	1	1	9440	1	1	1	1	1	1	1	1	1
256.167@1.1755134	14707	15280	13982	1	8355	1	22250	23688	1	12578	14065	1	1	1	16075	12929	16832	16401	10133	10736	1	9986	15265	1	1	1	1	1	20691	16619	16839	18512	1	14441	1	1	21578	23308	20816	21992	15487	12090	1	1	16411	1	1	39707	1	23292	24204	23828	1	1	1	12754	12670	12588	22900	18061	13758	13893	20675	1	1	25880	36750	1	9920	1	15837	16136	1	1	1	1	1	1	1	1	1	22550	26642	1	1	14158	18198	1	18080	18253	1	1	1	1	1	1	19582	20165	14568	1	1	12961	23244	23982	1	1	1	29559	32147	35012	1	1	1	15969	21589	22153	11951	1	1	1	14489	14997	23068	22638	1	31624	22105	20997	13789	1	13722	1	1	1	24150	12126	15252	15226	1	1	14112	1	1	1
368.1977@1.1739091	1	1	1	1	1	1	1	1	1	1	1	1	7663	8287	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8467	6418	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2483	1	3252	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4911	4089	6086	1	1	1	1	1	1	1	1	1	1	3272	1	1	3659	1	1
260.1048@1.1796117	49028	1	25653	1	29960	28040	65951	53946	16158	13300	19374	7715	68239	75606	39048	1	16299	25606	1	11666	47416	37085	1	1	17033	1	1	36595	34612	1	21949	1	44717	1	36159	1	1	1	1	1	1	1	1	1	24892	1	29194	15794	17429	26163	1	39972	1	10467	1	1	28268	1	21208	22594	11254	1	12021	12744	1	1	28060	1	8119	1	9856	10641	1	1	29524	1	52756	45526	24156	24908	23977	22249	1	76619	1	21429	6917	1	45271	31964	39183	27540	19897	36803	94985	87683	45666	34881	26234	32947	26225	25223	19446	26894	25149	28314	19010	44356	53566	28354	45917	1	1	1	1	27632	1	1	1	1	44601	1	29312	1	1	26340	27774	16542	39419	1	46608	38162	29078	16228	1	1	1	1	1	1	1	1	1	1
(23S)-23,24,25-trihydroxyvitamin D3 / (23S)-23,24,25-trihydroxycholecalciferol	8556	7978	13117	17804	9195	13637	14316	14048	12850	11263	1	1	10038	9231	10018	15794	1	1	6380	7433	10926	13929	1	5754	5318	6938	1	6464	4689	1	27132	34196	12909	9117	13052	11580	1	10228	10782	1	8337	9982	9055	7183	1	1	1	6528	9300	8446	7978	7592	6599	7545	7651	9902	1	7109	26459	22101	16355	16832	17922	19169	10617	11124	8332	8379	11972	13556	8220	9931	5362	1	8662	9451	11445	11830	10480	10201	10499	14250	10931	13146	27930	24517	10347	1	10207	9943	5562	7382	7848	5778	12238	11006	7540	6772	6264	6668	9404	6660	8909	8356	13493	15341	8213	9997	9596	8019	8551	6461	16557	7775	13608	9846	7402	9320	12015	12442	6671	8055	1	1	8009	1	8148	8488	1	1	8920	8494	1	7508	7693	6379	6049	6105	1	10080	6527	8293	13184	14714
470.3379@1.1432501	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4630	12010	1	1	1	1	1	1	1	2952	1	1	1	1	1	1	1	1	1	1	1	1	1	14087	1	1	1	1	1	1	1	8349	11668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12640	1	1	10328	1	1	1	1	1	1	9402	6820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13018	12504	1	1	1	1	1	1	1	1	1	1	5473	1	1	1	1	1	1	1	1	1	1	1	7669	1	1	1	1	1	1	4724	1	4723	1	1
330.2396@1.2121298	1	1	14072	1	1	1	16149	14185	1	1	1	1	16477	9932	1	6184	14955	10466	1	5490	1	1	21896	18997	1	1	1	1	1	1	1	1	1	1	8389	8918	1	1	1	1	11095	11481	1	1	1	1	1	1	1	1	8480	1	9426	1	1	1	1	1	1	1	1	4347	1	1	9211	11188	12896	1	6663	1	10929	1	1	1	1	1	11142	1	1	14028	9982	1	12215	11310	1	1	1	8669	1	1	7247	1	1	1	1	1	10224	9698	1	10384	1	1	1	9334	1	1	1	1	1	4324	11246	11226	8584	9451	10794	11383	11804	12150	1	7205	12391	11571	1	1	1	8344	1	8064	1	10764	1	12367	1	1	1	1	9819	1	1	1	12025	10724	1	12917
242.1873@1.1902195	1	1	9284	9296	5784	7713	30715	9309	11202	9083	9404	10033	14092	15291	15571	23837	10141	11777	7507	1	1	1	15342	17619	1	1	1	1	9530	1	14163	1	33145	27408	20841	23028	14250	14077	15342	15362	6685	6156	1	8816	1	9173	10914	16233	9269	1	14015	21980	13991	11933	13299	9910	15055	1	15210	15301	8564	8764	11743	1	8400	1	1	1	1	8067	1	8498	1	1	7502	8145	1	11110	1	16438	19644	19667	13846	14001	13534	14811	10477	10409	11683	13025	8539	8377	7051	1	1	9625	1	9069	1	1	15381	15152	16291	18757	14112	13943	19044	25347	18791	19418	18019	16255	17669	18213	14348	15299	35832	24365	1	1	1	16913	13866	13212	21842	22712	19540	26662	14134	12440	12343	12964	1	1	18434	17905	14791	1	1	1	15718	15745	1	16326
MID42391:26,27-diethyl-1?,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / 26,27-diethyl-1?,25-dihydr	1	33369	1	1	1	1	9862	8681	1	1	1	13160	49585	45820	6102	31266	1	1	1	1	1	1	1	1	1	1	4081	30916	1	12550	1	28100	11471	12181	5427	1	1	40010	41179	1	18950	1	35775	44585	57047	111411	11371	12482	36909	21522	42978	84041	1	36097	1	49763	29921	1	9804	10592	16223	19318	26042	29639	9455	11424	1	1	19652	8158	7308	1	38822	1	28651	34731	7326	1	12029	11257	31336	45050	1	1	13245	12852	6001	5628	1	7228	18876	1	1	1	1	69538	1	1	1	36661	1	1	1	50020	51115	1	53640	53273	11640	12634	1	1	1	21957	1	1	32557	1	62142	1	1	1	62664	1	1	13784	1	1	5658	27837	1	1	44276	39871	1	1	1	3563	27773	1	1	1	1	1
536.2406@1.275295	1	7206	6035	1	2644	1	5271	6177	1	1	4436	1	9541	12070	10055	10517	5062	4058	3974	1	12745	11807	3392	1	1	1	1	7283	4032	1	1	6310	8202	6175	5377	3848	6293	7215	1	1	1	1	1	1	1	1	4969	1	1	1	4923	5821	1	12147	5025	1	1	4348	1	1	1	1	4819	1	4658	5253	3201	4577	1	1	1	1	1	1	1	1	6136	6819	1	1	5845	1	9565	9646	2801	3505	9517	1	12027	7278	4317	1	1	4551	11852	5351	5927	3255	1	1	1	1	1	1	1	1	5454	6688	4172	5986	6063	1	12195	16564	8890	6470	8424	9947	4765	5706	1	3390	1	1	1	3493	1	1	12390	10253	6702	7218	1	4813	9873	11505	1	10556	10353	1	11001	6769	1	1
402.0837@1.152242	1	1	8966	7941	10301	8624	1	16474	1	4743	10481	8831	19391	7907	16638	11155	10914	4966	1	1	1	11688	8759	1	1	1	12155	9657	6708	1	11425	14241	21575	18230	9530	9630	9973	10765	11835	1	14326	13717	19389	10344	1	14214	1	1	1	17402	18586	1	1	11349	1	1	11834	18664	7609	17462	1	10598	12499	11787	10706	1	22158	1	10002	13766	9884	5376	1	14153	8253	11649	9209	6689	10959	1	1	10684	12537	10720	8983	1	10273	7033	12706	13722	1	14797	7937	10249	1	13824	9722	1	1	1	4617	1	9513	6103	10533	1	9041	1	1	7909	1	11544	7951	11186	21662	10798	1	9912	1	6949	12213	20743	6644	16381	8711	1	10322	7412	10963	1	13025	1	1	18149	1	1	1	1	15563	19378	15298	1	13845	1
284.1152@1.2023798	13027	1	1	1	6637	1	16016	20924	1	1	13466	12582	48894	47622	34469	47777	1	17577	1	1	23699	30901	13475	13969	1	1	19017	18355	1	17607	1	17882	34220	38387	26118	26120	23852	25485	29527	20001	1	1	1	1	1	1	14708	11468	1	11550	22774	18552	7080	7599	9201	8491	14054	16207	1	1	7817	9876	1	1	4552	1	16474	17735	1	1	1	1	1	1	1	1	14229	14568	1	8351	1	1	26819	29700	12846	1	1	1	27145	24356	11585	11207	12497	13188	32763	37369	13210	16478	8809	1	1	6656	1	1	1	1	1	12369	14626	15319	15437	12032	27979	26572	6693	13404	26112	1	14429	13915	1	1	1	1	9133	11146	1	8090	32320	31742	17259	14906	1	1	20619	20431	1	1	42510	40142	26717	23734	15482	1
366.1819@1.2035	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5990	10728	11876	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6360	5291	5081	1	1	1	1	1	1	1	1	1	1	1	1
196.0733@1.1955	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20735	18937	12071	12322	1	1	1	1	1	1	1	1	10488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5316	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
226.0147@1.2062433	10092	17725	16057	27923	1	25087	13362	31409	19229	26544	23890	20171	20873	24025	1	24794	24738	20884	1	1	1	21144	1	1	27443	28626	18409	16043	1	34533	20518	16826	26786	1	1	25394	1	29496	19504	24442	14109	1	1	26369	25591	18416	5277	28044	21984	23201	21289	1	28572	28386	18249	33962	19013	1	17875	1	21553	13917	23457	23973	26951	23279	18849	1	18691	25206	17911	24947	18674	34950	1	8156	14385	31668	55839	19608	23987	18796	18486	22328	1	20929	1	18243	1	18914	20528	22014	1	21105	16275	19966	12385	17687	1	24404	16000	16476	1	10808	1	17655	21457	23114	1	29161	15269	1	26869	20264	20048	27156	1	1	20808	27677	17346	24670	20410	1	31255	23750	21912	28639	29874	11717	27450	23146	23752	22821	13259	71547	21156	28638	1	25388	16666	1	1	19268
472.3174@1.21	1	1	1	1	1	1	5274	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8467	5266	12396	15388	21989	23364	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5625	4774	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
208.1457@1.1869999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21320	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23219	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17640	1	1	1	1	1	1
430.3071@1.2056872	31610	34694	25884	22548	24963	28183	37407	38254	36412	38550	24448	22072	21030	14118	24674	23500	21221	23023	18359	24117	21816	22179	24522	27841	16764	15180	20899	22562	19594	20068	37728	34159	28444	33833	28878	25930	22799	20441	23074	19793	20047	20038	19968	22241	51945	52720	31640	35115	25789	25791	32979	32620	30824	30808	35362	35260	32746	30988	33871	34493	20806	23567	18818	17916	31393	32123	29006	29730	19645	20528	20624	19371	12667	13213	11064	11656	25155	25549	18992	20020	41104	38407	46407	44229	29718	31818	16773	19856	22288	21823	15089	21825	17824	14510	34472	34234	18414	17199	18306	19339	32886	32011	23076	30663	28902	29989	27190	32850	31339	21887	28245	16622	38147	36211	22187	30006	31308	32653	26841	25151	21361	20016	21876	20025	28990	24026	29338	23205	27639	18939	23546	24090	15619	13892	22237	24514	23235	22684	20596	30029	28773	27794	38566	41637
458.3378@1.20275	1	1	1	1	1	1	16877	17049	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8356	1	1	1	1	1	1	1	27960	1	1	1	1	1	8336	1	1	1	1	1	1	1	1	1	1	1	1	1	58131	53339	103427	112213	1	1	1	1	1	1	4987	1	1	1	1	1	5694	6359	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17972	17554	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6267	6320	1	1	1	1	1	1
514.4207@1.196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17064	15661	1	4440	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6688	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13196	11731	10848	10609	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
516.3429@1.2213334	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13394	15332	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5836	4817	1	1	1	1	3902	3403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
638.4379@1.2236665	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5673	7008	1	3581	1	1	1	1	1	1	1	1	1	1	1	1	19242	20796	13085	12957	1	3044	5742	5512	1	1	1	1	1	1	8355	8603	8096	7821	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7552	8470	8163	6859	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2750	1	1	1	1	16332	16746	16015	14916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7524	6666	7284	7661	1	1	1	1	1	1
392.9944@1.2287222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4053	1	1	1	1	1	1	1	1	1	1	5187	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2392	1	1	1	1	1	1	8713	15518	3057	1	1	1	1	1	3838	1	1	1	1	3411	1	1	1	1	1	1	4065	3721	1	1	6078	4927	1	1	1	1	4089	1	5329	5332	1	1	1	1	1	1	1	1	1	5331	1	1	2988	1	1	1	1	1	1	1	1	1	4247	1	1	1
Hydroxyibuprofen	60589	61196	117068	117600	96757	96388	128149	126572	79810	79211	58258	53429	172740	167652	136199	136893	76337	78327	65795	64952	50224	47935	118745	116181	72879	72092	153065	157798	115510	113916	100269	98991	83659	86274	65382	64901	163274	167947	102856	107056	108491	112669	147196	148795	157377	158425	147454	147392	144639	1	142468	142269	122576	118195	72163	81169	122447	118342	109219	110411	180669	175936	175703	168405	98900	100640	112463	111771	84350	88395	56458	61171	59225	60889	40652	41719	93543	92213	112007	111842	86394	84181	90194	91723	312036	314876	116292	112225	132159	137685	139187	141027	152111	159320	82876	85382	116649	116535	122473	123358	83993	86420	102517	100751	162079	155563	128183	126108	211312	218881	154525	158544	150305	151367	169820	165304	185962	190470	86766	88565	79935	83055	64201	60393	150545	154085	170788	173181	72305	72512	123789	120483	38641	39252	72013	75265	51914	33941	67468	68438	132667	128891	50070	50451
224.1411@1.2277671	1	1	17386	18535	14260	14575	19720	18233	12433	12282	1	8924	26946	27135	20018	21099	1	10653	1	1	1	7246	16115	17323	1	10880	22920	23116	16014	15114	16149	15737	12698	13732	10667	1	1	1	16585	16968	16762	17919	22555	23659	21985	24271	23058	25151	21791	1	22278	22707	20517	19284	13764	1	18371	19323	1	15731	29162	27387	25822	25385	14305	15041	1	18444	12492	13577	1	1	1	9408	1	1	12376	13712	16910	16573	13256	1	12795	14479	44938	48938	16706	19441	19495	20717	19530	21628	23104	22087	12269	12217	17779	17316	17645	17716	1	12973	15089	15239	21977	21999	19700	17815	32001	32921	25094	25400	23099	22844	25387	25462	29275	29582	13131	1	11192	1	9654	1	22321	21239	26459	25757	10163	12257	17792	17753	5781	1	12222	12453	1	7801	9434	9772	18867	19725	7764	1
330.1822@1.2241833	1	6466	1	1	1	6227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5898	1	1	1	17952	7617	6660	6588	8187	1	1	8565	7959	8862	8736	11060	1	8441	1	1	1	1	7590	7350	1	7647	1	1	7983	1	1	1	1	1	1	7306	7412	1	10043	8766	7548	8381	9145	6530	41775	40617	1	1	1	1	1	8027	1	1	5939	13162	8490	7212	3791	6789	8805	8526	9446	8730	6119	1	7717	1	7524	7590	6120	1	1	1	7087	7176	1	1	7155	7256	1	1	7216	1	8058	8060	8775	8776	6116	1	1	7449	1	5843	1	7822	9002	9450	1	1	1	1	7191	8561	6795	1	5093	6445	7640	1	1	1	5046	7933	7592	8072	1	1	1	1	6369	6057
334.2136@1.2056233	14723	15649	46611	45279	62295	67005	1	10870	8631	7757	9714	1	17071	15716	15770	14305	15230	15069	13060	12173	1	9472	25195	23492	29403	28715	14601	12465	10557	11971	1	1	12246	14707	10832	12134	22872	23977	10725	9725	50214	49039	28555	27530	27285	25665	4350	8533	13771	14389	10149	8588	9912	15956	1	1	9422	9249	8734	7458	9188	9668	9593	1	14016	12024	20789	19050	39373	37089	41421	37723	99388	103606	1	1	127265	133842	30464	31968	8530	9122	23348	22960	14779	14668	7911	8751	1	7351	17362	17032	14133	12438	10263	9050	1	5985	11585	10116	9374	8376	10733	11858	1	6217	20005	21799	21578	20460	5147	6018	7971	1	8729	8776	1	1	26462	27415	33680	34711	12101	11237	1	10937	24460	24045	20246	20851	48637	49075	1	1	158982	161146	80234	76212	1	7070	1	7324	7048	1
406.1975@1.2316003	1	6264	5298	1	6309	1	1	1	4873	1	1	1	1	1	1	1	3911	1	1	1	1	6082	6144	1	1	1	1	1	1	1	1	9203	7335	6678	1	1	3953	6418	8712	8593	1	1	1	1	8274	7835	1	1	1	1	8397	7563	1	1	6440	7152	1	7115	7236	5984	6738	6530	6419	7126	1	5715	6068	1	1	1	1	1	7444	7367	1	1	1	1	5958	1	1	6102	9430	8150	8582	9901	1	1	5770	1	1	1	1	1	1	6783	6531	7603	1	1	1	1	4402	1	6109	6068	1	7129	1	7812	1	4787	6421	6633	5704	5492	1	6327	8993	9064	1	1	1	1	1	7662	1	1	1	1	6658	6748	1	1	7700	6472	1	1	1	4958	1	1	1	1
290.1128@1.2347587	1	1	1	1	1	1	11079	1	1	5401	1	1	7905	8690	1	1	1	1	1	1	6098	1	1	1	5419	1	10095	8715	1	1	1	1	7005	1	1	1	11521	1	1	10219	5286	1	5648	1	9604	6259	6617	5480	5931	8051	1	1	1	1	1	1	7822	7293	8743	6409	9859	8194	1	8937	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5848	5875	1	1	1	1	20243	12125	1	6351	11804	1	6595	1	8705	1	1	1	1	1	5610	1	1	1	1	1	8504	9877	11814	1	9538	11764	5567	1	5944	1	5449	10513	8223	1	3905	1	1	6844	1	1	12056	7513	11341	9252	1	4308	11342	1	1	1	9880	1	1	1	11271	14840	11337	1	5321	1
216.172@1.2252504	1	1	1	16230	12914	12117	6650	1	4896	1	27804	1	16466	19082	1	31833	29774	31385	14841	1	4393	7832	12420	10555	19954	18091	9198	14348	16890	4518	7835	1	14795	22212	24295	8690	19038	8272	20411	11917	11599	12381	10497	14457	16560	15387	21802	28034	22090	25027	11689	18113	1	18758	11458	1	9530	12957	12110	10749	14174	12808	10718	1	1	7022	9472	7163	18682	1	15885	21031	30085	1	18776	5950	1	19862	27234	20872	10824	12190	12085	10219	26527	22423	8509	1	1	1	23012	24270	1	1	1	1	22965	14973	19733	20720	1	24664	19755	24066	28355	30846	22663	13296	32108	29632	8712	1	20800	1	28299	10269	22371	26126	23791	6417	24932	37416	7261	16038	1	12112	1	31126	8645	8689	1	10859	20006	1	1	28466	38137	34220	22791	23174	11790	14604	1	7639
3b,16a-Dihydroxyandrostenone sulfate - 1.2323091	1	1	13130	12983	18615	20588	7003	7170	1	1	1	1	18770	20191	13209	14543	13026	15740	15641	16028	1	1	15219	14589	13440	13796	15434	16328	17659	17689	1	1	1	1	1	1	21172	21338	14536	15190	35442	33538	45421	44037	14063	13111	10831	11438	15345	17598	1	1	1	1	14990	15677	18813	20189	1	1	13466	13890	1	1	16173	18279	20317	18136	33019	32073	34027	30764	1	1	1	1	30932	30294	28694	28277	32715	30542	44324	44401	1	1	20955	21872	11044	10982	14323	14911	11578	10773	1	1	12097	12905	17957	19376	1	1	1	1	1	1	20019	18702	29193	31935	17466	17327	29964	28178	1	1	1	1	1	1	33545	35944	26220	28150	15188	16710	16728	18334	48670	50565	48731	48814	1	1	22104	23694	19943	18110	1	1	1	1	1	1
(23S)-23,24,25-trihydroxyvitamin D3 / (23S)-23,24,25-trihydroxycholecalciferol - 1.2433269	12779	13793	14315	1	14871	13917	17405	16866	12006	12363	7774	8711	9238	9753	10501	10509	8526	8823	1	1	10639	1	9245	8720	8620	8502	1	8473	9564	1	20514	20501	11980	1	11679	1	1	1	1	1	6666	1	1	6511	10759	1	1	10793	1	8245	10644	9846	10964	1	7963	10335	9511	10618	14016	15307	8631	9316	9486	11429	11102	12766	8656	7836	10345	11853	8919	7319	1	1	1	5528	1	1	1	1	11131	10948	1	9767	15035	13252	11541	13990	18312	11181	1	9837	7578	8448	15590	16526	6331	1	1	4627	7024	9741	8433	8122	11776	10588	11725	11036	9104	9632	9646	9611	13724	9548	11324	14012	13100	11571	14256	12571	1	7975	12235	9824	1	1	10353	1	8956	10653	1	8718	1	1	9172	1	7342	7986	1	1	10954	10063	1	9676
256.1211@1.2093213	1	1	1	1	1	1	1	11687	1	1	1	1	1	10385	13669	14205	1	1	1	1	1	10347	1	1	1	1	1	1	1	1	1	1	25445	1	7921	20787	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6662	17088	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19211	6085	1	1	1	1	1	1	1	1	6144	1	1	1	13703	1	1	1	1	1	1	1	1	1	1	1	1	4206	1	1	1	11726	1	1	9418	3344	8428	4046	1	4365	1	1	1	6270	1	1	20085	14459	8614	1	1	1	1	11271	1	1	1	27317	1	1	1	1
425.2033@1.2606357	1	1	1	5387	6266	1	1	1	1	5352	1	1	1	1	1	1	1	1	1	1	6771	1	1	1	1	1	7349	6159	1	8041	8380	9048	1	1	1	1	1	5488	10350	10484	1	1	1	1	10148	10819	6273	6352	1	1	9096	9401	4322	1	10672	10709	7850	1	12131	13668	7765	7455	8047	1	1	8291	8008	6627	1	1	5079	6746	23600	24649	1	1	3579	1	7959	7609	1	1	11771	13356	7830	10028	1	6570	5937	1	6388	1	1	1	1	1	7570	7839	7742	9125	6177	6437	1	1	1	1	8887	10084	7971	6870	1	7091	1	6124	1	1	1	1	9764	9185	1	4887	4023	1	13552	11992	11145	11235	1	1	11341	11076	7606	7504	8535	8623	11953	11736	4387	1	1	4912	1	1
408.2134@1.2609218	16055	14684	18782	16862	26386	27296	19574	21276	22018	21736	16219	17710	14848	15297	11722	13182	8671	8983	7375	1	22300	20346	21147	20553	14268	12651	21525	20848	26670	27647	27670	29491	18346	16945	12869	12195	16329	18147	36544	33444	13410	12626	16455	18327	32886	32385	18232	19231	15369	17541	26802	31042	12053	14711	32988	33888	23810	26122	42581	41005	21714	25687	24061	26653	25922	24606	21653	22746	11847	13262	18984	19940	75528	79237	6507	1	11566	11136	20034	23021	16541	18016	36646	37250	24682	27808	18076	17333	19903	19382	18938	21476	17500	16119	18145	16899	24799	24141	22049	23908	15230	14252	1	8548	14547	15685	27857	29553	21572	19112	24502	24036	17216	17327	12015	13251	12513	12846	30827	29426	11778	12847	13635	12599	41301	40567	33310	33086	14469	14131	32181	31835	20558	18889	22782	23071	31622	32274	9975	11329	10385	11770	11730	12866
332.1977@1.2395741	1	1	1	1	1	1	1	1	7094	1	1	5886	1	1	1	1	1	1	1	1	1	5411	6109	1	1	1	1	8288	1	8920	1	1	12037	12295	10922	9904	1	5484	10019	8923	1	1	1	1	10222	10499	14778	17967	5187	19484	7885	8495	1	1	1	9565	8420	8563	13610	1	12915	7779	7259	6938	7822	8422	1	1	4618	1	1	6042	22671	21961	1	1	4032	1	1	5629	1	1	9926	10873	7257	1	4474	1	1	1	6102	13567	1	1	1	1	1	8022	7159	7632	1	1	1	1	1	1	8588	9335	6042	6504	1	1	5456	1	1	1	1	1	1	8395	4495	1	1	1	12692	11410	8813	1	1	1	9301	9345	1	1	1	1	9845	9406	1	1	1	3662	1	1
398.1846@1.2615312	1	6135	1	1	11843	12155	8011	9431	9888	10968	1	1	1	1	1	1	1	1	1	1	1	10853	1	11617	1	6934	12016	11212	15105	13733	14506	15179	9969	1	1	6643	9625	9084	20077	20815	6135	5997	10121	9836	17983	18590	13030	13033	9794	11391	17731	16406	1	1	17703	18260	13402	13233	22319	21004	14147	14526	15074	15544	11930	13863	11260	1	1	1	9147	10174	39150	40944	1	1	1	1	12335	11846	1	9288	21659	18119	16003	15832	9522	9108	10524	1	13367	1	10492	10705	8940	8058	13600	14137	12209	13210	1	1	1	1	1	11170	17810	14794	12335	13584	11258	11532	9888	9766	1	1	8302	1	16527	1	1	7840	1	7360	25103	23821	19851	19780	1	1	18631	17718	8023	10960	14779	14048	21171	22848	7135	1	1	6904	7550	1
502.1797@1.2665555	1	1	6783	1	1	1	1	1	1	1	1	1	1	1	1	1	4908	1	1	4201	1	1	1	1	1	1	1	1	1	1	1	1	12486	14282	9410	9632	24593	22721	19381	18955	1	1	1	1	1	1	52745	52088	53959	54887	11850	12279	1	6346	1	1	1	1	1	1	17219	16891	10242	10011	1	1	1	1	1	6667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21347	20731	1	1	1	1	45360	44226	36172	36944	1	1	1	1	1	1	1	1	6192	6451	1	1	8170	8640	9069	7934	1	1	1	1	30350	29503	24223	26115	1	1	1	1	1	1	1	1	7992	7934	1	1	1	1	1	1	7394	7454	10265	10659	1	1	1	1	1	1
340.0239@1.2660563	1	1	9815	9731	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8024	1	1	1	1	1	1	1	4009	1	3804	1	1	15517	14427	11353	13103	27008	26532	19532	20778	1	1	1	1	1	1	55269	53314	57494	60530	14878	13721	9989	10276	1	1	1	1	1	1	18447	18159	13251	12202	4931	1	1	1	7941	7546	5866	1	1	1	1	1	1	1	5032	1	1	1	1	1	19774	19791	1	1	1	1	39983	40574	33658	32786	1	1	1	1	1	1	7020	1	1	7829	1	1	9263	10185	11123	11394	1	1	1	1	28684	29770	25066	25795	1	1	1	1	1	1	1	7193	8939	8862	1	1	1	1	1	1	9618	8736	12476	11958	1	1	1	1	1	1
381.0264@1.2668921	1	1	9814	9965	1	1	1	1	1	1	1	1	1	1	1	1	8297	8215	9356	8908	1	1	1	4782	1	1	1	1	4986	6050	1	1	17365	17463	15425	15476	27162	27319	22430	21415	1	1	1	1	3485	1	41837	43383	33791	43805	16066	15632	12207	11429	1	1	1	1	1	1	17008	19842	13728	14208	1	1	1	1	9401	9300	6642	7171	1	1	1	1	1	1	5553	5262	1	1	1	1	18779	19461	1	1	1	1	35452	34832	29388	29718	1	1	1	3886	4680	1	7994	8193	10172	9378	4642	6694	12061	10961	11928	13985	1	1	1	1	29140	26346	25401	25404	1	1	1	1	1	1	8468	8154	11769	1	1	1	1	1	1	1	10485	11212	13667	14056	1	1	1	1	1	1
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid	1	1	482293	481589	107599	105373	109194	116004	56747	57304	37535	34272	30592	31271	54893	54663	403170	411484	411345	402250	27988	27370	243354	234996	110199	105231	240035	236291	271533	271026	30497	26359	792022	798715	666668	674283	1199714	1180454	989595	1010979	139323	147420	121840	127295	189638	187290	2199744	2286849	2370726	2401963	765886	670464	565913	573985	93804	95790	77137	74546	1	1	931897	924096	696360	683334	272013	281435	177538	180938	479085	484594	360945	352172	25567	24885	1	11998	196745	201762	277906	283499	108184	100038	112939	113485	1023979	1038928	134636	134207	74395	78335	1893957	1896042	1653118	1682980	48005	49422	198536	206752	203149	209123	417161	411455	477449	488320	290168	287638	577454	581970	628744	628262	63320	64930	80836	83336	1492559	1476468	1286818	1294756	80802	81893	73985	76817	106005	109647	434947	442727	564219	560823	116553	124904	170637	168412	29069	28240	535814	536628	682669	668993	141424	147570	125878	124407	77978	88642
196.1099@1.2666688	1	1	84175	80100	19851	18765	19507	18780	1	1	1	1	1	1	9293	1	67576	65453	68000	65920	4934	1	41313	39073	1	18198	41537	40122	46867	45866	1	1	136921	137849	111733	112638	209142	206973	179711	177308	24913	25835	21121	20545	30745	31517	400427	400820	396408	412146	139913	131066	104315	99476	15130	16883	1	12755	1	1	162664	166225	123245	122733	47729	47497	30305	32226	78774	80992	62462	60867	16359	1	1	1	34064	33881	47253	47978	18210	17571	18736	18537	181381	179465	23272	20760	12846	13041	320820	332769	277454	273776	1	1	33106	31991	34620	33790	66447	68524	81704	77406	46464	47059	94414	99855	101996	104554	11090	1	14245	13557	251468	250654	224939	220868	14075	12910	1	1	16013	18541	71576	75145	92582	92072	21037	21657	30228	26777	1	1	86801	89191	114357	116602	27315	25414	22938	22083	14688	15041
323.0214@1.2679999	1	1	10868	7131	1	1	1	1	1	1	1	1	1	1	1	1	11274	7686	8551	1	1	1	1	1	1	1	1	6671	10059	5774	1	1	24762	25680	20132	22413	37661	38162	32082	29293	1	1	1	1	1	1	65478	65551	65060	67624	21913	21083	16274	17477	1	1	1	1	1	1	27615	28953	20006	22014	8803	6273	1	1	15539	16069	12136	11869	1	1	1	1	1	1	9117	10127	1	1	1	1	30830	31348	3398	1	1	1	51893	53713	49906	47283	1	1	1	1	1	1	13167	10342	14292	14775	1	1	16495	16598	1	18358	1	1	1	1	43321	42334	39153	39025	1	1	1	1	1	1	1	13411	17954	18490	1	1	1	1	1	1	18309	18545	23470	20984	1	1	1	1	1	1
262.0811@1.2677974	1	1	15809	13535	1	1	1	1	1	1	1	1	1	1	1	1	15798	7468	10331	12973	1	1	7682	8960	1	2945	6445	7445	7985	9024	1	1	31030	26626	21726	22083	37724	35145	34139	32018	4187	4382	3958	3763	1	6153	46284	49916	68626	64880	25018	25100	19552	19328	1	2999	1	1	1	1	29839	30582	22157	22065	9895	9146	5063	6770	20170	18565	11825	11984	1	1	1	1	6573	8089	10374	9916	3538	3646	1	4121	35699	38136	4696	4455	1	3003	53459	55531	47104	55767	1	1	6898	6041	6569	7546	12774	13728	17624	12432	10200	8992	23423	21386	20060	22218	1	1	1	1	47714	41938	32072	42655	3100	1	1	1	1	3559	16606	12988	20724	24733	4489	1	5217	4885	1	1	18461	14885	25348	28387	4904	4404	3658	4457	1	3358
364.9634@1.2698356	1	1	7542	8602	1	1	1	1	1	1	1	1	1	1	1	1	10061	9930	10144	11228	1	1	8501	14087	1	4924	14793	9961	16270	9390	1	1	63390	62330	53991	52915	93502	92293	88008	82488	6224	6623	5315	4076	7251	1	183946	176726	181430	199080	59913	57995	46106	49731	1	1	1	3037	1	1	68778	72906	54736	54286	10200	16900	6850	7385	20379	32879	1	14001	1	1	1	1	6311	8006	11124	10454	1	1	3985	4492	84590	87843	5443	5019	1	1	151621	148129	134300	126278	1	1	1	7371	8199	12632	33734	34659	41923	32713	11019	18392	49263	49940	55411	53373	1	1	3957	1	119302	119414	108484	104736	1	1	1	3691	4002	4711	34200	36799	49026	48169	5206	5133	7572	8072	1	1	50333	53319	65917	61842	7443	7016	5515	5634	1	1
392.2911@1.2620108	13869	13117	11235	13245	7739	10046	32682	32776	13647	13543	1	1	22568	22806	1	5631	1	7936	9084	9354	21390	21072	1	3515	1	1	7949	9294	1	1	24676	24478	15860	15299	1	1	20004	20519	47268	53747	7509	7348	1	5120	6292	4965	1	4577	6429	1	1	1	1	1	14755	14065	19170	14723	23058	25322	20793	19560	1	16248	1	1	1	1	1	1	6329	1	6074	5443	4665	1	1	1	1	1	22362	22038	23607	26363	7365	6477	4784	1	10959	1	11406	10503	21416	24189	22083	25012	1	1	1	7500	7616	8674	16931	18967	23156	22471	16019	15191	1	15874	6533	1	8829	8193	1	6868	1	1	30023	30149	11029	12417	6576	9349	1	7966	13375	11809	9048	9512	1	6154	4203	1	1	1	1	1	7002	7106	1	7913	44441	41347
108.0575@1.278625	1	1	1	1	1	1	1	1	1	1	1	1	6339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9273	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2453	1	6239	1	1	1	1	1	1	1	1	4678	1	1	1	1	1	1	1	1	1	1	1	4779	8689	1	1	1	1	1	1	1	5986	1	1	1	1
301.0461@1.3081143	19737	1	24232	23749	27385	29155	14493	1	25486	22741	21998	20532	1	1	1	1	1	1	11519	1	1	13567	6912	1	17980	1	17385	16830	16854	1	1	12902	1	1	8668	1	14758	1	1	9903	15861	17175	1	18681	17601	19905	17953	17800	1	1	1	17318	18329	1	15219	1	1	1	1	15217	22892	22376	21266	25922	23406	24687	18738	10656	13579	16892	21709	23710	1	1	1	1	14986	1	17099	15287	1	13570	15005	1	1	13411	23596	1	16982	1	1	1	1	1	1	21434	24466	18921	13124	19594	16638	18430	15955	17683	1	18537	16850	1	15493	13002	19346	1	1	1	9423	17733	22697	1	1	15359	14338	24237	21485	23394	1	1	19000	18660	19262	17714	19542	18873	12547	1	31499	26953	44517	45365	1	15049	18704	1	1	1
648.2411@1.3182586	8031	10712	17221	18767	6247	3082	14282	13724	1	1	7515	6903	32388	33358	21714	21637	8972	9174	1	1	10349	12671	1	4512	1	1	9127	8364	18308	14749	6931	6610	17191	18626	15141	15598	18139	19359	15641	13840	8025	6192	5155	4570	1	1	9954	12344	7685	6250	8528	7424	32026	31393	11390	13577	11265	9747	6546	6734	9839	10848	17044	10223	34823	35824	13984	11806	10983	12254	13100	16844	1	1	3229	1	6548	6747	6093	7757	15991	17736	6630	7538	12116	11673	33133	31817	8654	16540	7587	7501	1	5078	20187	19003	12597	13124	11455	11732	5702	6962	4514	1	12044	11457	9690	8050	8869	8925	13186	13058	19345	17305	26645	25653	18674	18917	13981	11650	9574	1	6364	5873	9365	8797	6644	6503	12940	13129	15445	18189	1	3920	9888	12913	14412	14426	19207	20528	18048	16678	20098	23092
360.1958@1.3276668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7153	6168	1	1	1	1	1	1	1	1	7316	8028	1	1	1	1	1	1	1	1	1	1	1	1	9277	8634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7997	6823	1	1	8737	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.0891@1.3337585	1	1	15019	16381	1	1	1	1	1	9858	1	1	15616	16547	1	1	1	1	1	1	1	1	1	9375	1	1	10717	1	1	1	1	1	1	1	1	1	21661	19921	1	15773	1	1	1	1	1	1	1	1	1	1	1	14833	1	1	19903	19764	18354	21794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11348	11651	1	12722	1	1	1	1	1	1	6843	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	30972	29222	23784	20916	1	1	1	1	1	1	1	1	1	1	14915	15430	15105	1	21348	19648	1	10847	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
243.183@1.3343265	19695	19804	29164	24646	41404	42715	20970	1	43413	32522	24878	27222	26047	26612	22784	23098	36415	39147	27567	29360	37890	38818	47585	44292	34229	33547	15466	15870	62011	62497	34227	32561	32265	32314	38607	42162	28852	25725	50904	49316	32240	31388	16284	31716	39322	35509	41464	46367	39835	44073	55763	41954	29902	28423	48046	48207	46878	48912	37745	38996	52246	49823	75864	74971	36042	39446	27755	27281	24535	25072	28621	28313	16143	18295	13347	1	32572	32260	18067	17746	1	10665	30980	29970	16828	17658	23436	25246	16002	18059	30559	26797	15602	15633	18705	19195	23581	25499	13369	12129	15614	14175	16396	18388	22199	22181	27171	25691	14595	16169	43582	46065	15735	17514	28375	27493	11720	10119	24890	23925	12571	13941	12217	13830	31402	28075	1	1	20019	19982	17047	16842	33616	32576	1	8123	14822	18132	23328	25298	25067	25564	18944	17889
201.8661@1.2994546	1	1	22973	22442	1	1	15057	17574	13878	15464	14750	19441	1	1	1	1	6642	10164	1	8535	13533	10301	1	9566	12023	1	8517	1	14186	1	1	1	5457	5384	11121	13683	8495	12725	1	13980	1	1	1	1	1	1	8886	1	13306	1	1	1	1	1	1	1	1	1	1	1	8131	1	5373	6036	1	9171	1	7486	1	1	1	9741	7994	1	1	1	1	1	1	1	1	1	1	1	8246	1	1	5673	1	1	1	1	1	1	1	1	1	6625	1	1	1	1	6997	1	1	10293	1	1	1	5842	1	1	1	1	1	9056	1	9478	1	1	1	1	1	1	1	1	5003	1	9165	1	1	1	5413	1	1	1	1	1	1	1	1	1	1	1
7?,12?-Dihydroxy-5?-cholan-24-oic Acid	35006	37462	286924	288281	214129	212457	148826	147197	32937	32810	16349	15228	49393	51711	33787	28549	62587	62244	75790	82156	54935	50979	1	10092	22994	22300	42981	39387	29749	28084	59275	61027	59581	55647	12133	11145	47021	48970	114501	114902	21852	25706	28788	29217	94917	89350	23009	22209	32811	37873	6629	6099	79674	80034	101672	84525	91293	97301	72117	74929	40122	36183	46993	48902	5840	6881	10285	10799	6797	8965	26014	23611	91769	79309	14794	19151	13419	14185	1	1	38485	38474	45212	52861	25137	24037	12524	13402	21107	20852	48110	52028	85029	79829	90623	86584	29597	37545	37224	38863	29044	29488	55187	54626	78993	55421	31646	29931	18446	14099	31292	29942	24546	22326	37739	25679	16539	16229	58122	57167	36527	37363	23396	17034	44505	47590	149000	149932	41409	39114	29441	30913	45452	45230	1	1	5464	1	51531	55709	125792	127949	95645	98494
170.0072@1.3458697	1	1	1	1	1	1	1	5986	1	1	1	1	1	1	5949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8918	1	1	1	1	1	1	1	1	1	1	1	1	1	9337	1	1	1	1	1	1	1	1	1	4726	1	5847	1	1	1	1	1	1	1	1	6480	1	1	1	1	1	1	1	1	1	1	1	1	7268	1	6249	1	1	1	7653	1	1	1	1	1	1	1	1	1	1	1	1	1	6503	1	1	1	1	6838	9359	1	1	1	7716	1	8919	1	1	9101	7794	1	1	1	1	7597	1	1	7171	1	1	1	1	1	6828	1	9096	1	1	1	1	1	14627	1	1	1	7949	1	1	1	1
240.0993@1.339	1	1	4506	7192	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4328	1	1	1	1	1	1	1	1	1	14987	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4542	1	1	4206	1	1	1	1	1	1	1	1	1	10742	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4031	1	1	1	1	1	1	1	1	1	1	1	1	1
151.9961@1.3463999	1	1	1	1	1	1	1	3395	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2813	1	1	3519	1	4196	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3561	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3883	1	1	1	4626	1	3865	1	1	1	1	1	1	1	4482	1	1	1	1	1	1	1	1	1	1	1	3355	1	1	1	2975	1	1	1	1	1	5549	1	1	1	1	1	1	1	1	1	1	1	4120	1	5352	1	1	1	1	1	1	1	3499	1	1	1	1	1	1	1	1	1	1	1	1
509.2326@1.36	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20118	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9772	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13620	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
296.8683@1.3456665	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2895	1	1	1	1	1	1	1	1	1	1	1	1	1	2495	1	2795	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3265	1	1	1	1	1	5083	1	1	1	3104	1	1	1	1
6-dehydrotestosterone 17-glucosiduronic acid	7217	25370	51776	49302	35616	34417	37101	34920	25610	22657	1	1	42555	30731	30999	1	4752	1	22729	15077	8146	1	1	1	9665	1	60297	46424	75347	1	1	1	21798	25041	35785	1	32676	14486	43588	45707	1	1	1	1	16164	12601	9840	1	1	1	55264	66933	69611	44921	61172	37653	32024	47703	1	4804	13913	19609	1	11591	21718	39559	27967	21783	8514	11669	1	20742	1	13348	1	1	1	9521	1	1	7959	17441	12104	1	1	10765	26122	27257	29832	60296	21867	23171	105906	109257	27951	17010	1	1	1	1	94389	83725	1	1	1	1	13569	7911	150111	124989	1	30214	46796	76616	1	1	1	1	17976	6847	1	1	1	6915	1	1	1	1	10818	1	9838	5811	11904	16025	1	8077	18535	16016	21357	40050	66008	34269	3420	1
530.2111@1.3779999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5952	7717	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
198.0387@1.3810271	1	1	18234	26340	1	24448	21222	18394	15096	1	1	1	16583	21284	1	22590	1	1	1	1	1	17162	1	1	12564	1	1	1	18136	19240	1	10998	1	14764	19685	1	24671	22142	24806	24975	16920	1	16512	14820	1	16397	19363	27917	23702	22833	31780	28969	27360	22055	20341	14932	17977	1	16486	17189	21254	20585	20282	22782	21038	22356	17818	28078	17310	29778	19384	1	1	1	18270	1	35306	35558	29146	37550	22972	27337	31647	32378	25030	24618	25796	34839	29798	32691	35902	1	33014	30959	32667	32989	1	27329	30102	31276	32904	64011	33770	35593	29481	27066	35795	33399	42155	40344	72240	37272	39001	31734	33329	21004	35066	27656	34795	31201	51473	35753	26385	31520	30333	32159	23320	27878	43634	48162	41811	43044	17119	15475	29175	34580	23031	34231	26067	31301	23592	25503	32634	29158
389.2583@1.3846668	1	1	1	1	1	1	1	1	1	1	1	1	1	3972	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5827	1	7369	1	1	1	1	1	1	1	1	7832	7507	1	1	1	1	1	1	1	1	5276	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6662	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6745	1	1	1	1	1	1	7283	1	1	1	1	7481	7190	1	1	1	1	1	8957	10123	10196	9566	1	1	1	1	1	1	1	1	1	1	1	1
338.9658@1.4453572	1	1	1	1	1	1	1	12802	1	1	1	1	1	1	1	1	1	1	1	1	10554	1	17549	1	12899	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22856	1	1	1	1	16228	1	1	1	1	1	1	1	1	1	1	1	32511	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4520	1	1	1	1	1	1	21323	4048	1	1	1	1	15352	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4263	1	1	1	1	1	1	1	1	1	1	1	23061	1	20916
672.2417@1.3907927	33009	27101	1	37423	14543	14749	48126	1	7089	15415	28892	31728	116894	91570	1	80420	16141	38808	13130	23196	55370	58196	24361	19257	15202	1	48554	51550	1	44223	1	1	86948	90173	60275	66973	70187	73148	29402	56123	21767	16221	16925	1	8844	14115	48349	47966	32856	33353	46518	53875	51000	51489	39138	1	32349	1	19905	20007	1	1	22496	13341	74147	1	1	41030	1	19303	8624	20217	1	1	15726	13012	33134	35513	22094	18047	34474	31662	56720	62503	26900	1	52103	31226	1	59738	1	29636	34013	36597	86369	85755	42343	36633	1	28266	4717	20807	1	22071	22306	23567	19934	33147	34653	27680	41070	38422	56203	65709	68537	1	67331	70156	39626	39555	1	35604	18405	20607	1	25583	1	10693	68164	65135	1	49420	15691	24463	50613	1	38283	48069	97191	96882	74352	70750	41297	47550
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272.2342@1.4960217	1	1	1	1	7339	1	1	1	1	1	9850	9782	1	1	1	1	5986	1	1	1	1	1	1	1	1	1	16497	1	1	1	1	1	6948	15811	1	1	8519	1	1	1	1	7709	1	1	1	1	1	1	1	1	5741	8521	9970	8573	15138	14292	1	10537	1	1	1	1	1	1	9603	18018	8289	6559	5780	7629	1	1	1	1	1	1	1	6425	1	1	1	5379	12962	7137	11145	1	19730	9396	1	25994	1	6629	1	1	1	16169	8269	1	1	1	11465	1	1	1	12058	12963	1	1	1	12857	1	1	11667	1	1	1	1	1	1	1	1	5887	1	1	1	9855	1	8547	7986	6308	1	1	1	1	8770	1	9268	1	1	1	1	7299	1	1
301.9584@1.4724861	14903	21214	26244	23172	22172	13279	20806	8956	16636	5014	19204	13474	20367	17229	17755	7514	12797	9942	8401	1	14488	12450	11186	8218	13173	12946	17089	1	13222	1	1	1	1	11788	9460	12886	16739	9418	7664	1	1	12417	8213	7705	12519	1	1	15559	1	10882	17735	13098	15874	16213	10059	1	1	7378	11285	11869	11692	13634	1	1	6979	11231	11184	1	10927	10152	8560	11513	1	1	1	9336	9945	16436	20770	9710	11873	1	14478	13738	1	12494	11817	13666	17181	1	15634	1	1	15698	13935	10558	6792	14330	15194	11640	1	17298	16668	14532	16876	8818	14922	1	1	17721	1	13904	15494	6554	13659	10742	1	1	17594	18962	10279	15975	1	15837	1	8539	12605	8697	12724	12199	14411	13651	1	7200	18402	11280	13361	12643	1	14353	10044	12821	14837	1
136.9444@1.4739617	1	1	1	1	1	1	1	1	1	7098	8302	1	7925	1	1	1	1	1	1	1	6337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10224	9019	1	1	1	1	1	1	1	1	1	9983	7741	1	1	5500	1	1	1	9022	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9212	1	1	1	1	1	1	1	1	1	1	8153	1	1	1	9392	1	1	1	1	1	4765	1	1	1	1	1	1	1	1	1	1	1	1	3324	11356	1	1	10028	1	8318	5371	4823	1	1	1	6981	6212	1	1	1	1	10584	1	10280	1	1	1	1	1	1	1	1	1	1	6168	1	1	1	1	1	5424	1
280.9608@1.4812547	1	5322	1	16310	19644	10405	1	7431	15001	12089	1	6090	1	13426	1	1	18544	1	1	11980	1	9884	6983	4411	13234	9614	13084	6052	20626	3612	17090	1	15567	17722	8612	1	1	1	1	21502	4188	16070	15644	1	11834	14813	12429	18906	18112	20446	22569	9189	1	1	17981	8728	11628	9233	20425	1	5986	12677	17253	21042	19352	18475	19878	5007	12549	1	3250	1	12051	13030	1	13640	21508	21682	20366	17996	1	13288	13884	20674	1	1	13327	11488	21455	18238	12875	1	11800	17579	13435	18312	15214	18425	23463	1	1	16101	21363	13357	1	13150	11566	1	1	15171	19537	19921	1	1	22430	10317	6961	1	11785	21480	1	22307	18722	1	13777	21479	1	14619	16316	9902	11792	15745	18437	1	16242	6948	9339	19410	16402	1	1	1	1	14717
C8 H4 Cl N2 O10	1	1	1	3897	1	1	1921	7961	1	7099	1	7577	1	4699	8324	1	1	1	1	1	1	7336	1	6952	7918	1	10351	1	1	6441	8853	9398	1	1	9062	1	7604	4572	1	10486	1	8696	7829	1	3065	1	3868	1	1	1	11526	8675	13930	1	1	9789	1	1	1	1	1	10141	7064	1	6435	2567	3233	7914	9214	1	1	7514	5470	1	5355	1	1	1	1	1	8819	10244	1	1	1	6074	4033	6463	9986	1	10887	5383	4558	8091	7112	10105	4363	7906	1	1	1	9282	7923	3049	7647	1	4320	1	1	5780	1	5199	1	1	1	11265	8094	1	1	11168	1	10853	1	11187	7953	11783	1	1	1	1	1	1	1	9207	4153	1	8501	10658	1	2587	1	1	9920	1
371.9569@1.4886	7327	9287	8180	1	1	1	1	1	1	1	1	1	1	1	1	13649	1	1	1	1	1	1	1	1	1	1	1	1	1	14000	1	1	1	1	1	1	1	18375	1	1	1	6095	1	1	1	1	9939	1	13605	1	1	1	1	1	1	1	1	1	1	1	7029	11851	1	12107	1	1	1	1	1	25817	20945	1	1	1	1	1	1	14697	1	1	1	1	1	1	1	1	1	1	11392	6501	1	1	1	10865	1	1	7365	1	1	1	1	8804	1	1	1	1	1	1	1	14270	19415	1	15079	1	1	1	1	1	1	1	1	13424	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10830	1	1
339.9677@1.484	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11385	1	1	1	1	1	1	1	1	1	1	1	1	1	5800	1	1	1	1	1	1	8229	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5904	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
344.8638@1.4856764	1	1	1	1	1	1	1	1	1	1	1	1	18182	15965	1	1	1	1	8818	1	21729	20599	1	25000	20459	1	1	19628	1	15406	1	1	25099	1	5794	1	42596	1	1	15996	3906	1	15466	1	6945	23181	23091	1	1	22035	1	39231	1	1	1	1	8856	1	1	11692	1	5570	1	1	1	29340	4288	22299	1	1	4174	6357	1	1	11278	1	1	1	35926	1	23642	20313	41981	1	1	6931	1	19006	29899	9252	1	1	3497	26237	1	6750	19735	1	7016	1	11917	1	11763	34966	1	1	33169	1	17403	11385	32764	33464	1	17909	37533	1	1	8451	48124	22728	6629	42838	34503	39579	1	1	32234	1	12996	1	1	1	1	17425	1	31178	37928	13817	36414	1	1	20656	1	9576
Paraxanthine	1	1	72552	71019	76681	77385	129663	128128	29356	28766	1	1	155503	164845	92593	101013	65595	65587	44973	46967	1	1	99393	96701	34974	32928	150772	146797	118245	113791	1	1	1	1	1	1	105587	102140	63702	62149	93762	93915	94799	95694	76102	72443	123800	123139	93433	90545	1	1	1	1	30419	30723	44742	47098	1	1	36194	38048	29019	28388	63227	66521	86454	91180	49793	53311	99779	99600	18629	15924	1	1	25881	24732	12145	11560	52673	51587	61405	59482	1	1	1	1	25395	23007	20052	21088	1	1	16334	17594	1	13272	27265	28761	1	1	1	1	64531	64693	119297	119821	121944	125126	23992	22612	38386	40075	1	1	1	1	1	1	131851	140634	41859	41831	57154	56769	66155	70570	72936	72335	122966	126556	1	15783	100145	101673	19263	19405	92789	89521	102289	102681	1	1
614.2357@1.5165457	18979	15092	22814	20986	12697	8950	22977	22012	1	3386	12297	12103	35165	37877	38078	37193	14375	18905	1	1	15236	13438	8048	6756	5217	6459	10381	10601	10156	14257	7137	8358	16648	14867	21375	22846	18347	21118	20154	19418	3181	3439	3436	3853	6515	5998	8216	6434	1	1	23025	22849	9599	8593	16955	16220	14696	13713	7235	4612	4463	6234	5214	4694	12301	15253	14688	12784	1	1	1	1	1	1	8191	7179	7246	8493	4837	6932	10283	8100	13831	10987	9166	15404	15674	13050	24308	22222	6994	7754	1	5625	21733	21990	7864	13799	7566	7677	7674	7868	4731	3777	8574	7906	7192	6401	8660	11118	16315	14996	17314	22023	10822	10197	27080	27885	6525	7573	16850	15639	15864	9619	11065	10700	10427	8599	11267	9073	12064	11050	8485	7390	9014	15831	4055	4475	26135	27646	13998	10948	7803	9576
342.9614@1.4728333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6610	1	1	1	1	1	1	1	6950	1	1	1	1	1	1	1	1	1	1	1	6633	1	1	1	1	1	1	1	1	8352	1	5388	1	1	1
118.0632@1.5194484	1	1	1	1	1	1	1	1	16603	14317	1	1	1	1	1	1	1	1	1	1	36021	1	1	1	1	1	1	1	1	23105	1	1	1	1	1	1	21389	1	1	1	1	1	1	27956	1	1	1	25622	1	18770	28930	24986	28504	26868	1	1	1	1	1	25759	1	17226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23340	1	17603	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	23042	13430	1	1	27268	23205	1	1	1	1	20496	1	19464	1	1	14243	1	1	1	24648	27761	35082	30093	1	1	1	1	1	1	1	45519	1	1	1	18111	1	1	1	1
187.1208@1.5294139	17726	21209	20888	1	23311	24268	17349	18367	20502	21433	20356	20640	21944	1	1	23436	22198	22656	27817	22972	27386	27907	29746	31104	20734	18142	18662	20216	22461	21097	22468	22015	23870	26202	24104	23469	23514	20082	23874	23318	22748	20332	1	22823	24796	22926	25582	23164	23150	25250	30928	31217	22169	27479	33583	36008	27610	31486	27672	27964	27695	28297	32801	30511	30253	28255	1	22308	19937	1	29755	29979	16544	1	17938	18145	20594	22703	18162	17067	20491	20427	21510	23773	16586	18049	19616	19949	20154	21275	24323	22927	16880	14819	19729	19713	17462	18990	17358	19197	20198	20426	20285	21340	20906	20201	19833	21020	21146	22218	21751	22099	22864	20500	22465	20067	1	1	1	19743	21864	23440	20392	18944	28848	30169	23330	1	28741	29489	21873	23973	22663	20787	19125	18179	20240	22898	16061	16542	18159	20892	15189	15356
445.1236@1.5557142	1	1	1	1	1	1	1	1	1	1	1	1	5658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5017	1	1	1	7895	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6075	1	1	1	1	12853	13348	8275	10156	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5606	1	1	1	1	1	1	1	1	1	1	1	1	8741	8691	1	1	1	1	1	1	6318	7052	1	1	1	1	1	1	1	1	1	1	1	1
273.0059@1.5561913	1	1	1	6920	10219	9165	1	1	1	5563	1	12551	17963	17858	13575	14978	1	7561	1	1	1	1	1	1	1	1	1	6171	1	1	1	1	13968	13064	10994	11324	28447	29309	13249	12967	8682	9160	1	8545	1	1	7838	6622	1	1	18165	17471	13968	14801	9284	10636	13029	10502	1	1	1	1	5919	1	1	1	1	1	10514	11209	9610	9295	1	1	1	1	10199	10332	11605	10502	18702	16799	1	1	1	1	40072	39068	29257	26502	1	1	1	1	1	1	1	1	1	1	12586	11347	7987	1	7525	1	10977	9383	15377	15734	1	1	1	1	1	1	9445	8798	1	1	19978	20981	28518	29610	15698	14862	12514	10570	15785	15240	20152	20846	1	1	6273	1	12637	10865	1	1	12864	1	1	1
Euparin	1	1	76843	77222	154873	158218	55809	56821	59787	61734	157339	174655	296109	299935	219202	225620	96225	102249	1	15576	1	1	35328	31492	1	1	59841	65413	45742	37644	1	1	175986	183411	125839	130768	421477	394388	152868	151557	97887	96552	85728	86413	47183	45565	72962	78070	38166	43812	258031	254005	174733	174390	115718	117672	145524	147641	19372	17177	43909	46765	73429	77110	41862	42028	28409	26804	136742	140206	122597	119982	1	1	1	8360	133671	131089	147030	150166	266249	279027	35844	34593	22678	24887	733670	732946	446931	434627	39127	37085	14307	14356	23900	26047	24408	1	1	1	139223	136217	99359	106697	57603	62580	126644	122566	226094	230052	52352	47523	1	1	17908	19039	116178	118781	1	1	279352	290084	390050	401121	232781	227724	166416	175829	218671	224331	294716	294344	1	1	77806	77653	154552	162202	23296	23261	200548	201814	9880	1
215.084@1.5565001	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34924	36937	1	1	1	1	1	1	1	11800	1	7688	1	35414	27115	1	1	1	1	1	31558	30659	37531	37981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6343	1	1	1	1	1	1	1	1	1	32323	1	59081	1	1	1	1	1	5217	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C4 H2 N3 O5 S	9406	9393	73558	74312	98251	98958	56840	55645	53631	51097	101200	96459	137318	134465	106048	116896	58843	61990	20591	19133	7317	7840	24168	22018	9532	9084	36274	37405	28323	30188	1	5427	73813	80230	61843	65308	125743	125239	65775	65446	49184	44453	41863	42079	26948	22952	38469	40130	31107	29140	96936	93902	70848	73340	51136	52270	54586	60773	13096	14849	25450	25305	35212	35446	26267	24885	17048	17702	54649	58776	52097	46679	13363	11078	9416	8918	49420	49746	53655	56988	79709	79793	18894	19866	16726	15658	174272	166910	124949	120574	22802	22404	12430	11314	14603	14340	16075	12955	7965	9670	56464	52306	41632	39195	31099	31284	48454	51064	72190	74303	25146	24381	8192	1	13957	14878	46236	47681	11959	8980	80837	81719	111467	110420	64885	65290	54688	55017	64048	67174	81859	78629	1	1	29081	32478	57826	51435	11963	16991	53753	55328	1	6516
434.0645@1.5832527	23837	31318	24195	1	57425	12699	19549	61737	44125	1	31933	57016	1	75323	65341	82395	1	68348	1	1	1	30035	59433	18704	53510	49509	49770	67867	1	1	52216	66164	45829	24945	1	1	70695	1	80458	24689	21129	22427	47258	1	16536	1	20197	19657	66869	22682	64164	1	23320	86899	11652	1	42943	14627	43725	26150	77845	28179	1	37228	13208	20068	1	1	17749	88314	75327	87266	1	38820	1	1	115905	24149	45065	99176	81905	38696	92963	57263	34553	82702	58254	1	40208	36469	23537	56641	104557	101682	1	26893	45966	93942	100733	22223	93959	68395	98201	86309	16751	42318	1	1	125296	26528	63484	90438	91757	1	1	80364	94622	36675	1	22304	89168	1	1	103440	1	1	14388	64665	1	39043	26995	25416	1	47342	100873	29155	1	13195	82698	1	94851	79503	76873	87617
(S)-3-Hydroxybutyric acid	1	1	69144	67049	91444	91292	53308	53047	58928	45996	118298	131702	200857	205486	169159	179235	91466	107299	33233	33687	1	1	50462	44747	1	1	69283	65098	54365	53999	1	1	139190	154790	143645	150265	314550	296833	136564	129655	88185	91736	82578	95104	57266	50577	66749	77985	1	69725	239372	198056	151263	141431	102070	109249	122743	105682	1	1	46474	42671	69450	54829	43623	45703	29555	31048	113115	135667	85825	74583	1	1	22638	1	91897	91005	104534	101208	196576	219294	53371	1	1	35244	514443	536838	352731	324317	51514	41702	1	28809	37651	35276	27656	26947	1	18877	154776	132247	101980	106071	79557	70366	129911	130422	213859	181723	61861	55739	1	1	42605	35186	106188	107854	28691	26619	226148	217932	329520	351741	163428	189180	155003	158496	158287	159678	215491	240671	1	1	76755	66222	124802	120797	1	1	116250	138871	1	1
1025.049@1.5572176	1	1	1	1	1	15019	9100	6953	6479	8233	12475	9420	10119	15677	12087	9448	1	6810	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8089	8346	7064	6313	10846	10807	1	6215	1	3221	1	1	1	1	1	1	1	1	7635	7588	1	1	1	4223	1	1	1	1	1	1	1	5721	1	1	1	1	1	1	1	3741	1	1	1	1	5495	7664	7544	6559	11685	8163	1	1	1	1	14686	15382	11885	10505	1	1	1	1	1	1	1	1	1	1	5778	5998	1	1	1	1	1	1	7542	7492	1	1	1	1	1	1	6479	6398	1	1	10090	10640	13143	13091	9543	10308	7322	7443	8475	9273	11299	12292	1	1	1	1	1	1	1	1	8072	6025	1	1
126.9362@1.5737271	22859	1	28493	28830	10380	13660	5789	1	3209	7102	12103	1	20332	1	1	9796	1	1	1	1	1	18265	1	1	11323	1	1	1	8063	1	9325	11800	1	9964	1	1	1	1	1	5247	1	1	1	1	9188	1	1	1	1	1	10774	1	1	6263	1	1	9819	1	1	1	1	1	6261	1	1	1	1	10464	1	1	1	1	1	1	1	1	7147	11605	1	1	9138	1	1	1	1	1	1	9586	7624	1	1	1	1	5881	1	1	1	1	1	1	1	1	5931	14411	1	7795	1	1	1	5572	5164	12298	5552	1	1	1	8189	6538	1	1	1	1	1	8360	1	1	1	1	5976	8354	1	1	1	1	1	1	1	1	1	9953	1	1	10700	1
391.9535@1.583606	11439	15906	19151	5636	4365	9234	1	10673	9132	7076	6182	7451	7765	7322	5040	1	16778	23472	1	1	6179	8434	8888	13107	10710	7928	5878	9149	8858	1	6268	11659	1	7408	8542	16617	5808	1	7863	9265	13888	1	7366	1	5935	8414	1	12321	1	11227	1	11265	5102	16641	9223	15539	4085	9331	1	8558	4104	11949	5560	7946	6947	5843	7719	5331	9184	12034	1	9689	9554	5717	12744	19354	8653	1	10521	7004	9900	13067	6004	8232	7735	9311	17354	3844	7304	8288	5146	1	15952	12026	10460	1	4893	5603	8569	13282	5741	7390	7059	6710	6693	7203	1	12252	7246	6663	5031	5777	4748	7962	9267	9797	13559	9628	7161	1	9256	10998	6962	9409	9207	6171	9250	11974	6001	8672	18032	9568	1	7800	1	8626	1	10662	8175	6422	8284	9867	11373	4953
C4 H N3 O4 S	9341	9314	21110	23813	27872	30235	21263	22171	22111	19047	25046	27832	34741	34120	30587	24681	23534	18140	13853	11699	10859	10775	22557	21565	17067	18091	29521	33843	27932	26136	9642	9303	33577	28182	29185	30543	53238	44284	34251	34082	29938	34363	30145	31340	28699	27094	24905	26052	18934	21521	36567	39601	36764	35565	36502	36322	37083	35147	19529	18584	24019	22124	26591	26253	22145	23589	22971	22183	28927	32865	27543	32570	16640	13530	12787	14323	34368	32790	34120	34288	35571	37018	17858	24922	18832	20007	32018	51476	37297	42949	17212	19263	16380	14871	20396	20595	19374	17871	13384	13588	33129	15684	31701	31802	29786	30971	35401	36028	41513	38238	26451	28787	19289	15929	20601	18921	31682	28378	19210	16561	43293	45883	49444	49365	41083	39391	39030	38353	44287	45378	20021	53166	1	9487	29480	29188	35333	31493	20407	21315	33749	34993	16096	14652
385.0723@1.561	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3858	1	1	1	1	1	1	1	1	1	6262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3933	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
413.0822@1.5556471	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20951	1	1	1	1	1	1	1	1	29034	1	1	1	1	1	22451	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	44124	47274	1	1	1	1	1	1	1	1	33897	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	42413	1	1	1	1	1	1	1	1	39572	1	1	1	37146	1	38671	1	1	1	1	1	1	31744	1	1	1	36307	38844	1	1	1	1	59570	1	1	1	1	1	1	1	1	1	43607	1	1	39227	1	1	1	1	1	1	1	59803	1	1	1	1	1	1	1	1	1	1	1	1	1
230.0472@1.5934362	1	1	34473	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21215	1	34610	23471	1	1	1	28957	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	18272	1	1	6502	1	1	1	12974	1	1	1	1	6069	14088	11958	1	1	1	34216	1	4454	1	14306	12756	28602	1	1	1	1	1	35648	1	1	1	1	1	1	1	32354	1	7024	1	1	1	53431	42015	1	17609	1	1	1	1	15715	1	1	1	28778	1	29798	33473	1	1	53188	26820	1	13121	1	1	1	1	23270	1	43701	1	1	1	1	23610	1	25159	1	1	1	17274	56448	47064	1	28524	1	1	5799	1	1	1	1	1	39928	1
460.9991@1.5701348	6127	28615	1	33884	16422	32824	14599	7317	26200	1	32465	8876	20645	1	1	25285	1	1	1	1	24656	4273	1	6980	30544	8314	1	7500	1	1	29366	4674	1	1	17403	1	26404	9215	31978	8107	1	17964	1	1	27129	24599	1	1	6329	21474	1	19618	1	21782	1	23931	24316	20764	23141	1	26988	1	1	28861	15886	27570	1	1	21730	23504	1	10933	1	1	1	1	29169	1	33756	27431	28195	21923	1	7214	5442	23402	29629	25949	1	3727	21722	1	1	1	6425	18696	26276	27087	25104	25330	1	20241	20031	29519	1	1	28439	1	1	14114	18332	28727	7024	33597	6975	23577	1	1	9554	8584	31979	1	1	1	16136	1	20462	1	8322	27619	22589	21986	4411	21081	27670	29226	1	1	1	28243	6166	9117	1	17372
337.9818@1.5743632	17437	25637	1	19187	1	20822	9831	14887	9502	20347	20185	1	19844	20651	1	24465	19517	1	14872	16121	1	1	10557	13876	10063	9542	11515	12776	14109	21388	1	28371	9719	12649	1	13613	1	25663	1	18187	19939	32557	10540	20943	1	1	16134	1	1	26546	1	8956	1	1	1	29869	1	1	1	22762	1	1	21229	16768	1	1	13551	14157	27123	16059	11787	10242	20475	14599	8613	24651	12449	10143	10682	1	11420	1	11906	1	10459	18886	1	24799	12793	1	8014	7566	1	1	7663	1	1	24374	10187	1	1	8518	13927	1	8838	1	14155	20906	1	22765	18361	30749	21094	1	1	1	27055	18661	15424	1	1	9982	1	1	14514	6106	19742	11668	1	9926	1	1	11957	15320	22565	11022	1	1	1	1	1	1	10016	13518
593.0798@1.571517	40259	48529	48257	23039	1	1	35832	29984	47885	52536	19972	1	45687	1	32397	45824	55066	1	45369	41706	30850	1	53882	45032	53113	47425	50577	15958	45299	54727	53897	52887	45093	46295	56890	52434	64921	51766	24940	25823	61676	34932	38883	37075	59923	29771	59370	30878	47200	69856	40359	1	18944	68617	57576	60581	60531	59822	60973	1	1	1	56904	62098	1	26981	58511	26558	22210	61832	65589	67051	32837	55339	63835	54527	15676	1	1	73417	27014	77883	17110	73015	46002	55857	49903	63127	1	29029	62016	58689	1	1	61941	57213	78285	57851	31871	23607	1	1	1	24687	21850	51371	72808	22666	27999	35139	20974	1	1	58090	61857	77498	54350	18667	19169	1	1	79452	74528	42686	28273	1	29312	27960	57915	16063	1	1	29007	66984	73278	50571	63300	66667	46780	37748	62773	57357	26419	21855
797.2756@1.567192	28255	28149	44001	45498	28696	33242	39632	39193	6202	6775	28352	25257	69889	69404	80130	68830	25860	26154	1	3919	19806	26298	11098	10192	12963	14204	25340	27943	23254	27288	14822	13783	26479	26709	34551	33148	37473	36003	27363	26794	7776	10308	7499	8402	20996	20099	14835	12534	7045	6630	43310	44326	23447	22454	27789	27992	15932	15707	14062	12658	13636	13203	14399	10223	29123	25920	29539	29875	7175	6283	7769	7777	1	1	12151	11788	14615	11998	12966	13872	17679	18112	19614	20004	22169	22805	24535	26911	35028	39020	17402	15581	9890	9782	37393	40091	24212	25358	19042	20071	16990	17276	13838	12253	18636	19452	13870	13165	13932	13464	30472	30147	29209	30171	19423	20116	48673	49706	16421	16998	28635	31049	27241	29055	21343	28433	18270	23579	19665	19021	37906	25349	14438	16286	31677	31844	12768	11937	44422	44852	31471	30605	18876	20127
786.0749@1.5709903	1	1	1	5468	5278	1	1	5738	1	1	1	5396	4132	1	1	1	3240	1	1	1	4973	5878	5840	1	5658	4582	1	6614	7793	6770	1	1	1	1	1	4590	9680	9743	7979	8252	1	5610	1	1	5574	4582	9395	10544	6024	7263	11666	11365	10833	11621	1	1	1	4070	1	1	1	7599	7368	8380	7346	1	7259	8081	9349	7629	7955	7330	1	1	1	1	13603	13126	13284	12632	8416	7370	9293	9538	6868	7347	9231	9184	9359	9175	12732	12864	9051	11108	8374	8411	9106	7464	7767	8448	9879	9989	11486	10646	10889	11663	11167	10627	14006	14666	9375	11035	10589	9562	9804	10202	9332	10077	14313	14518	11907	12682	12089	13114	10699	9703	7793	6714	15888	15280	20684	19884	1	1	11365	11213	13526	13992	10590	11288	11944	11222	13135	14394
644.0384@1.5700605	4257	1	9188	8295	8694	3653	8477	9043	4045	1	7203	6497	5211	5168	7394	8012	1	2982	1	1	6332	5172	4124	4581	3753	3115	1	1	4417	1	3660	3322	1	1	1	1	4833	5357	4346	4991	1	1	1	1	1	1	3514	1	1	1	4629	8376	1	4503	1	1	1	1	1	1	1	3775	5442	1	1	3583	3482	1	3483	1	1	1	1	1	1	1	9060	1	9061	10683	2979	3857	4234	2884	1	1	4962	4926	5670	4412	4372	4358	3197	1	4301	3244	1	1	1	1	5106	3280	5711	1	7286	6220	4979	1	1	5891	1	5808	6525	5072	1	1	1	3900	7552	4973	1	5050	7228	1	2856	1	1	1	7418	7809	7996	8698	1	1	4074	3713	4760	3965	1	4881	5024	4408	5698	6353
448.9994@1.5749608	10418	10880	10988	8271	10312	10213	10155	1	1	7223	9814	8731	6679	1	8946	1	7334	9239	5473	6029	9656	8045	1	8752	5943	1	1	12010	10119	11768	12440	11309	8335	8412	9724	9679	11225	9539	9691	13493	1	9741	7783	8947	8914	9466	14075	1	10528	10834	1	7093	11032	1	1	8971	9741	8393	1	7174	1	8459	1	1	1	12197	10994	9574	9699	11138	10771	1	6208	6135	7405	8229	6940	1	1	1	1	9485	10969	9738	1	10803	1	6645	8744	1	12263	11463	14098	13232	10416	1	1	9997	10951	1	10824	6316	1	11424	11962	1	11305	8740	5205	5142	10819	9869	1	12443	9724	12261	12062	12682	12011	1	1	9285	1	1	1	1	9303	1	1	7748	12285	1	10753	10525	11674	11378	7432	1	5518	13762	4914	6613	7126	10802
113.0226@1.5543112	1	1	7370	1	1	26424	1	26782	1	7627	1	1	1	1	25585	7971	21360	1	1	1	1	25262	1	1	1	20924	1	1	1	1	1	1	1	1	16798	1	1	17607	1	1	1	1	1	1	1	1	1	1	1	15755	34871	29635	28531	1	1	1	1	17211	20592	1	1	1	1	24933	1	1	1	1	1	25811	1	1	1	1	6333	1	39299	1	1	1	1	1	1	11627	1	1	1	1	6628	27318	36095	28131	20128	37503	16625	1	1	1	1	1	1	6170	11901	1	1	1	1	35698	8405	32389	1	1	1	1	22743	19345	1	11556	1	31755	1	1	1	1	1	1	1	18795	40246	1	45351	48375	13049	21216	1	1	1	1	1	10773	1	1	1	1
366.0773@1.5706134	32530	1	1	1	1	1	58333	51780	1	30240	43897	45143	1	46785	52037	1	1	37111	1	1	1	1	1	1	1	36676	1	1	1	44115	37102	1	32108	1	1	36035	56884	52985	50191	50830	1	1	1	1	1	1	53802	56988	1	49272	1	62674	59662	60509	33563	1	1	33341	32229	1	1	1	50292	1	1	41968	45640	1	1	1	42820	1	14657	17125	23743	1	1	1	70453	1	1	45069	48699	41143	43453	41945	48300	50048	50753	1	1	59372	1	1	1	1	1	1	50440	48704	58998	1	1	1	56335	1	1	1	1	63393	1	44781	57283	1	1	47908	53590	54731	62824	63637	55627	54744	58566	55737	49656	49533	1	40703	69914	1	1	1	1	29981	47410	48445	1	45700	1	45846	1	1	55161	1
603.0353@1.5707934	12654	13597	21983	21786	18240	21901	16999	16776	11522	10501	1	16408	17675	19363	18101	21999	15432	15247	6649	1	22574	19751	24405	24060	25836	14404	27649	30108	30621	27042	24194	24991	20616	18991	20077	21915	36270	36334	34507	34497	25981	24479	14669	16702	26746	23815	34879	33900	30102	29408	1	39399	41650	1	24712	20188	22421	21824	22150	19796	33188	31968	34030	32840	26533	30605	32071	32240	31013	26132	32032	32945	9204	8926	14630	14328	40769	40705	45308	41167	29207	32011	34493	29721	28359	25067	23143	30647	36019	36022	43854	45287	39169	39502	27120	33913	30874	30896	37941	32257	39370	33277	30701	38974	42291	40858	43004	37393	52460	49691	31936	32520	35090	35273	34051	32749	41685	38766	46027	40913	42175	41309	46091	45041	38542	37077	30061	30702	51999	49987	52187	51846	20785	22322	41740	34955	47876	44127	40922	38802	43482	41128	39589	41605
306.0454@1.5705521	21923	24495	33715	48586	44526	41987	46243	47222	20796	20037	35338	33573	36957	36768	48104	50320	22087	21475	1	1	33557	33570	27683	27360	25232	25312	28312	32768	31313	32216	25681	25361	15994	17331	20943	21131	43542	41517	45436	42671	23287	24766	1	12297	24488	24328	47953	49846	33754	35642	63773	60201	52949	54638	24775	24419	23179	24605	22773	22367	43189	43731	28946	43369	34681	35191	36203	39436	39353	38576	36772	33725	1	1	1	1	57704	60832	71599	68722	30674	31878	38012	38618	34236	32743	34542	39246	45434	44863	56584	57465	51050	52487	38925	41728	35409	38072	43081	42344	44888	44108	46801	44826	47776	52274	51811	54355	65223	64705	45618	45095	48928	47798	40757	41893	49412	49968	58764	58896	45112	49271	46882	46507	43253	40262	25574	28865	63289	62442	83211	79083	1	17055	43860	44681	50877	51271	45584	43813	40856	45667	53488	53375
549.1159@1.5703778	1	3590	6786	7484	1	5800	7175	7768	1	1	1	1	1	1	6396	7163	1	1	1	1	4676	1	1	1	3413	1	1	1	1	1	1	1	1	1	1	1	6243	8178	5827	1	1	1	1	1	3613	1	1	7564	4610	1	7914	9260	7613	7824	1	1	1	1	1	1	5934	1	6194	1	5281	1	1	5118	5886	1	5388	1	1	1	1	1	10468	9803	12028	12142	4161	1	5573	5109	1	1	1	1	6374	5558	9296	1	7010	6799	1	1	1	1	5463	5596	7475	5606	6163	6198	5936	6369	7105	8142	9136	10577	1	5194	6171	6713	5469	1	6785	1	8688	8308	5697	1	7123	6404	5198	1	1	3803	8547	9259	10855	12769	1	1	7071	6717	6795	7085	1	6035	5708	1	8449	7850
166.0126@1.5708226	47877	49562	75104	82523	73581	79210	88555	86281	44212	14942	65546	59831	68321	70488	93015	88633	46545	48135	1	1	64379	68694	56007	56724	58858	57447	58899	56392	56785	63016	46916	48515	36392	40602	40782	47234	73821	78219	67775	70020	47578	49607	31138	32858	49380	44038	78779	81749	63031	54039	99018	99889	83980	88262	1	47423	47078	46034	44408	49280	72998	79011	75837	75066	65860	68895	73459	75236	80803	76289	70761	66948	1	21150	34706	33874	116652	114625	138155	137469	72443	72423	82954	1	65927	65462	89290	82049	88674	93198	1	105528	1	95722	80238	81228	75220	77432	82859	81704	93979	89036	97984	92157	95735	95254	99341	97258	128064	115178	83472	84472	89821	84732	74898	75338	96461	88459	110442	118414	87710	90332	93239	95795	77231	1	58498	54529	1	117100	143096	147629	43503	38854	83813	85107	93613	91849	93209	89267	83979	90456	102237	101680
97.0277@1.5638537	85978	1	114007	145943	66818	68510	149690	74988	36817	1	126591	128158	110294	1	89868	1	81932	7914	38352	1	52659	63712	77781	45941	71722	8801	110844	51911	57588	68820	1	39321	88094	86015	81150	73200	119888	97518	87538	8253	45318	75540	1	1	59993	91223	62234	10571	116531	84995	166667	57170	83745	1	79501	84647	30574	78024	108065	56222	90509	123920	137336	64233	109486	58744	52497	117647	14548	69537	135918	60772	1	41833	36706	64230	113586	114872	1	1	78556	103068	11523	82761	104584	115502	13433	117625	111882	123171	123189	1	1	1	61543	104984	78330	134965	78642	15162	49893	61739	109704	69258	1	13288	69119	1	112792	81423	92792	100273	81678	126374	1	16178	61616	21407	18903	86340	62789	105128	112953	59052	65448	117572	76809	62026	175651	79164	83070	13135	60704	1	127915	135665	8943	55896	1	92358	1	96116	14028	147203
808.056@1.5719999	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4097	1	1	4063	1	1	1	1	1	1	1	1	1	4853	1	1	1	1	1	1	1	1	1	1	1	4477	1	5325	1	1	1	1	1	1	1	1	1	1	5095	1	1	1	6029	1	1	1	1	1	1	1	1	1	1	6432	1	1	8658	1	1	6871	1	1	1	5892	5647	1	1	1	6401	6668	6442	1	1	1	1	6477	1	1	8048	1	1	1	1	7198	1	8859	6717	1	1	1	8196	1	1	1	1	1	7891	1	8372	8246	1	1	1	1	5779	10784	9359	11180	9661	1	1	7692	7797	1	8495	8275	8114	7011	1	8696	1
397.0214@1.5759411	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16222	14813	13622	13198	6801	7385	6874	6830	1	1	3568	1	1	1	20877	21511	24293	23881	1	6001	1	5609	1	1	1	1	1	1	7469	8196	9152	8503	5992	1	3773	1	14634	14036	10892	12180	1	1	1	1	3733	1	1	5975	1	1	1	1	7762	7492	1	1	1	1	19465	18568	16686	19855	1	1	1	1	1	1	5762	6010	6580	1	1	1	4651	1	5157	5834	1	1	1	1	13732	12395	12854	12436	1	1	1	1	1	1	10685	11354	11293	10780	1	1	1	1	1	1	6845	8388	9910	8836	1	1	1	1	1	1
140.0334@1.5817505	1	373725	506700	27854	1	1	487341	1	27107	260224	424147	458575	433469	357129	474388	559522	294021	347287	1	1	1	46062	1	1	348449	331972	25928	395703	377624	22595	383285	354275	213365	250212	335858	304328	501342	483738	365894	364143	336378	273687	1	256329	1	380407	509027	1	1	435034	1	1	1	1	1	388302	1	250243	359882	363994	355062	1	1	472871	389604	1	470468	1	1	1	473876	465576	178856	222952	267090	22373	625546	397382	1	683938	1	438490	463536	479307	350093	1	1	516328	481342	343590	1	1	573762	548916	376841	500446	15025	500949	512445	1	542014	535357	1	552178	348935	1	590957	1	53707	397623	1	499970	1	513665	507796	486443	1	552039	610407	630364	393121	1	1	387462	385053	322199	437195	276744	402360	1	1	524841	260205	322113	523507	502366	1	1	1	468498	1	510558	1	1
C15 H12 N6 O5 S	269182	274598	327691	331048	310274	238884	310485	326294	283738	313579	298576	317043	295847	297963	313796	305090	338650	308924	238735	237159	323174	294860	310673	261293	303440	302795	326881	303102	147503	356618	277407	231953	218358	244492	277128	254538	332715	141841	324604	289414	293307	279778	259850	260584	312339	294884	385102	337356	343287	335917	354856	364298	279280	345798	297376	281922	241271	252396	282624	302844	349782	313619	379117	320645	288875	301661	324267	318317	315171	330780	361480	317782	222217	232602	295931	327393	370182	414212	378591	369250	337263	328051	345596	1	334724	321653	1	447058	374316	362815	409040	417016	341393	354013	388691	336529	364640	321287	352580	354325	268861	350566	367032	364169	483177	376822	370783	364046	382975	369471	321970	371471	384068	472685	366815	319502	196164	341232	425972	399615	361272	361708	115548	395232	230330	359937	323404	315637	399001	336607	410583	412410	345628	293723	360054	423292	382255	369346	353098	332933	333027	347680	390893	397947
183.0394@1.573819	3656610	3814086	5014681	4110071	4730135	4970267	4716541	4672519	3185639	3374594	4632407	4552910	4584548	5067515	5819410	5779898	3759558	3969503	2032484	2016778	4161256	4823179	3181752	4436922	4038520	4015262	2982307	4464674	4651988	4721885	3855187	3860868	3485390	2452438	3691289	3965862	5658619	5543702	5324891	4674354	3840015	3959945	2901257	3042204	4475529	4223868	5721874	5961105	4451419	4961128	7078469	5500516	3781964	5344912	4114476	4114442	3603421	3461365	3959719	3576162	4958781	4867146	5555287	4440221	4568479	4091374	4745550	5080417	5153120	5161465	4714487	4644439	2092757	2232540	2977226	2993662	5379847	3865126	7133104	6951934	4793112	4752395	5458956	4757076	4688487	4801582	4255144	5441174	3607933	4631924	6356613	6362799	4934326	6160375	3053161	5469065	5000129	5322233	5423323	5488413	6171568	5002544	5842201	4426051	5981709	4892945	6230085	5809372	7449492	5860637	3834656	5596282	5298980	6142118	5317945	5449685	5987977	5828562	6741850	5662380	4967089	6131797	3973875	5416947	5315486	5500980	4788139	3119760	4320303	6144959	7827668	8499227	3612760	3562992	5861975	5314768	5193558	5546346	3999743	5083264	4938447	4781511	5790576	3244863
C16 H17 N2 O S3	5662	6751	11516	14587	7917	12980	12804	11060	1	1	1	9540	1	10903	1	14859	6081	1	1	1	1	11036	1	8514	1	6843	8940	8411	9402	9408	7593	1	1	1	1	1	13654	12153	10737	10862	1	1	1	1	6175	1	12564	11808	10066	1	1	15312	3880	13342	1	1	1	6189	1	1	11571	11691	1	1	9656	1	1	10046	12693	1	1	10585	1	1	1	1	1	17296	19339	15522	1	1	11611	12662	9313	10514	11346	12874	13993	14470	18138	17047	14036	15601	12309	1	11293	1	11798	1	1	14198	15002	14365	1	1	11774	1	1	17479	11886	13665	14024	14456	1	11588	13721	1	4391	10219	10415	1	1	1	1	10167	8038	8793	14061	18367	1	25184	1	1	13556	14672	1	10601	12950	13637	1	12565	1	1
798.1014@1.5763271	1	1	3633	1	1	6495	1	1	4355	1	1	1	2969	4720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7415	1	1	5763	5004	1	6863	3507	1	1	1	1	6232	1	5544	1	1	1	1	1	5577	1	1	4366	1	9077	1	1	3753	1	1	6895	4253	5480	1	4920	1	1	1	1	1	1	1	1	7187	4025	8377	3125	4648	1	6103	3683	1	1	1	3284	1	3303	1	3731	3108	1	1	4044	6992	1	4056	8064	4375	9240	7973	1	8415	1	1	5443	1	4212	1	1	6412	1	1	1	1	1	1	5267	6526	5317	1	6848	1	3518	1	1	1	3499	5368	1	1	1	1	8734	10339	1	1	1	1	1	1	1	1	1	4321
282.964@1.5762686	200490	205517	207162	161869	35371	196836	1	157420	151609	100433	146443	152139	160859	141260	172562	120734	105432	116038	73459	69896	126065	121215	114458	100743	106087	110805	112129	122466	104613	78562	102025	104199	87532	57084	83995	104643	99996	120026	63559	118198	99687	103211	79187	79610	99659	88680	57889	93457	79655	1	137271	1	38094	1	28468	109161	93200	99854	91704	93425	55219	51090	98402	108242	105597	99549	100594	106689	89608	97812	53660	51656	62643	62698	77768	54372	41368	113679	7275	85118	59581	99384	104628	73562	50385	1	42258	95010	100919	38770	22380	102993	52946	102842	1	99178	80219	99007	98993	88559	104139	1	104761	98368	33995	1	46417	90201	7730	110356	5134	102703	103714	111204	89412	88103	61306	96795	112117	1	106257	68287	118051	1	91616	42623	77535	82330	102922	29927	75770	110694	5135	72519	5856	90186	103708	98290	87968	79422	44981	91054	85844	101172
Phenyl beta-D-glucopyranoside	1	1	71811	73179	53709	55083	56427	56748	37399	39985	1	1	1	1	1	1	78790	81118	77250	74371	1	1	37692	38083	29901	28824	48987	50529	49282	50050	1	1	304520	306128	272183	276776	118252	122061	130902	135108	67320	59540	55918	57640	44650	45924	398059	400054	442932	465861	110073	106764	87720	90438	43750	41710	36047	37294	1	1	155971	160695	153437	160376	96775	100763	74074	76429	257090	275011	226467	225125	1	1	11689	12367	58975	66296	59365	57411	25924	21934	25026	22452	145934	141344	26035	25614	17920	20785	346986	349913	351292	357953	28152	26034	32972	31570	31805	26734	107344	111198	117693	113682	52081	50923	97803	101193	84919	86005	1	1	1	1	248702	274864	261518	256201	21120	15244	28281	27369	20064	19275	251195	241202	226281	229253	43859	42761	35396	34639	11550	1	158852	159674	195202	178347	1	20860	16584	17490	16989	16866
C14 H6 Cl3 N5 O2	1	1	7748	7466	5085	1	5430	6436	1	1	1	1	1	1	1	1	9098	9572	8418	8465	1	1	7452	1	5086	4903	17268	10585	17495	1	1	1	91624	91138	89580	91736	49393	17213	16978	53444	12846	20559	10332	16386	7899	8598	128943	129565	135132	143970	38933	37070	35604	1	8593	7827	5153	5812	1	1	55934	58849	52524	61558	11898	35116	31286	29867	90828	89330	75654	77831	1	1	1	1	11837	12352	15930	25880	5360	4362	1	4777	59598	65250	1	1	1	1	110826	125216	60995	105354	5417	5553	6954	7290	1	6833	33752	15736	46226	47860	18940	1	18523	38246	27789	32811	1	1	1	1	98583	101789	94547	96085	4679	4256	4990	5802	4350	3842	73725	89265	74297	82596	7996	8761	9254	8012	1	1	63099	66357	82645	84417	5309	1	1	4548	1	1
C19 H8 N4 S2	1	1	10230	10255	8583	6550	6908	6849	1	1	1	1	1	1	1	1	6758	1	1	4886	1	1	1	1	5768	1	1	1	1	6816	1	1	18686	22125	16387	19732	9650	9153	10856	9548	1	1	1	1	1	1	29926	30490	33447	34922	8929	9270	1	1	1	1	1	1	1	1	9789	10869	17262	10151	10639	10098	1	1	18226	16728	14682	18204	1	1	1	1	12796	4279	4546	1	1	1	1	1	1	10127	1	1	1	7013	23623	25816	24474	25157	1	1	1	8963	1	1	8363	1	6881	7199	4154	1	6949	7696	1	6570	1	1	1	1	19176	18273	17338	21816	1	1	1	1	1	1	20091	15222	13076	12529	1	1	1	1	1	1	10616	11575	14382	14948	1	1	1	1	1	1
168.0284@1.5815251	1	1	1	1	1	1	1	1	1	1	1	1	1	9366	1	1	1	1	1	1	1	1	1	1	1	8049	1	5983	8490	1	1	1	5149	1	1	1	14281	1	1	8017	1	1	1	1	1	1	1	1	1	1	1	18261	1	17823	1	1	1	1	1	7823	1	17470	1	1	1	6498	1	1	1	6931	1	1	1	1	1	1	1	22008	21911	1	1	1	13359	1	1	1	17087	1	10138	1	20390	1	1	11914	1	11382	1	15039	1	1	1	11642	1	1	18790	1	8044	1	1	23314	18980	18886	1	1	14821	1	15885	1	1	1	1	19890	10470	1	1	1	1	8793	9840	1	1	1	4931	5761	1	1	1	6171	6125	9690	1	10110	1	1
298.1769@1.5855384	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4008	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9667	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17956	1	21150	39996	36311	38687	37763	26679	1	1	1	1	1	19040	1	1	1	1	1	1	1	1	1	1	1	1	1	26628	30850	1	1	1	1	1	1
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217.9689@1.7088277	1	1	5625	1	1	1	1	1	1	1	8200	1	1	1	7578	11220	1	9401	7572	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9702	1	1	11130	1	1	1	10668	1	5612	1	1	1	1	5638	1	1	10579	11088	1	6670	1	1	1	1	1	1	1	4126	1	1	1	1	1	1	1	1	1	1	11529	1	1	1	1	10404	8719	1	1	1	1	1	8702	9110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7411	1	1	8488	1	6439	1	1	1	1	1	1	5452	1	1	1	1	1	1	1	10282	1	1	11424	1	1	1	1	1	1	6620	1	6239	1	7422	1	1	1	1	1
388.059@1.7038763	1	4633	1	31251	18595	191341	1	6415	27872	1	22142	24047	1	1	26788	34733	1	1	8559	1	1	25467	23241	26378	1	21610	1	24401	22673	13503	21939	1	1	1	1	21647	26700	31666	24972	25779	28392	1	1	15267	1	1	34873	19590	1	1	1	1	1	1	23298	28491	1	5123	21292	25783	8283	37447	39911	12157	1	19197	5272	1	25601	32438	1	1	11331	1	1	1	47537	25938	57345	40554	30844	21336	1	36849	1	1	1	22859	9553	36359	1	1	1	17430	32548	1	1	46158	42501	39811	46764	27962	34940	1	1	8902	1	38615	39218	47555	18004	1	1	1	30855	1	52514	42996	1	1	27632	1	226692	1	29540	29200	1	1	8996	1	27616	13077	19207	22121	32088	32551	1	39847	1	1	1	1	1	37651
5-Acetylamino-6-formylamino-3-methyluracil	1	1	1	12953	14292	16219	24835	27921	1	1	1	1	21697	23685	16190	14665	46064	48249	29798	27811	1	1	37212	39117	7114	1	28168	30678	17359	18318	1	1	1	1	1	1	16924	16446	14912	1	26736	28556	16967	17348	80947	82461	27599	25994	1	1	1	1	1	1	7655	1	1	15350	1	1	1	1	1	1	1	14258	25098	27207	35684	37838	54608	56547	1	1	1	1	39435	40115	18323	16309	1	12852	24153	22915	1	1	1	1	18517	18667	14528	1	1	1	1	1	10367	10341	1	24542	1	1	1	1	59977	60736	1	1	24622	25163	1	1	40729	42228	1	1	1	1	1	1	30988	32320	8285	1	16750	1	1	15956	30618	29437	35357	37570	1	1	31103	29080	16045	15424	17209	17934	15071	15069	1	1
97.0277@1.6350285	1	1	8703	15672	1	1	1	1	4188	1	1	1	1	1	17756	1	13412	60415	1	1	1	1	1	1	34371	56416	1	1	1	9860	1	21197	1	1	1	1	1	1	1	98017	1	1	1	1	1	1	1	80756	1	1	1	1	1	1	1	1	1	1	1	9269	1	1	1	1	1	1	9955	1	90640	13102	1	1	1	1	1	1	1	22956	16963	1	1	1	80289	1	1	1	17296	1	1	1	1	1	1	1	1	1	1	4478	1	81831	1	1	1	1	1	65939	1	9729	1	13735	1	1	1	1	1	1	1	125591	74191	84787	1	1	1	1	1	1	1	1	1	9734	1	122707	27226	1	1	1	1	25079	11817	9869	1	13739	1	1
324.9629@1.7108696	1	1	1	1	1	1	1	1	11696	8005	1	1	1	1	1	1	1	1	1	1	9774	1	1	1	1	1	1	18176	5625	1	1	6743	2564	1	1	1	1	1	1	1	6037	1	1	1	1	1	1	1	1	7269	1	1	1	1	1	1	1	1	1	1	7412	1	3781	1	1	1	1	1	4730	1	1	1	1	1	1	3615	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6692	1	1	1	1	5819	1	1	1	7883	6884	1	1	1	12562	1	1	1	4856	1	1	1	1	6545	1	1	1	11784	1	1	1	1	6457	1	1	1	1	1	5317	1	1	1	1	1	1	1	1	1	1	1	1	1	1
229.0445@1.7423922	1	1	1	1	14574	28288	1	34763	1	1	34686	1	1	1	48476	1	5638	1	1	1	1	1	1	1	15527	24904	1	1	1	1	11612	20909	1	18065	1	1	14451	1	1	13156	1	1	1	7437	1	1	1	10026	1	1	1	1	27790	1	1	26747	21678	23535	1	16765	1	1	13090	13247	1	1	43235	1	38326	58999	10655	24597	1	1	1	1	1	13099	1	1	1	1	1	15026	1	9514	1	1	43006	1	34664	1	22177	10386	1	1	1	1	12903	1	1	32660	1	1	1	15652	1	66887	13925	16756	15678	1	1	1	1	1	37893	1	1	1	1	1	1	1	1	1	35263	1	8783	1	1	14382	1	18758	30467	1	1	41026	43310	5860	1	1	9772	1
324.964@1.7237273	1	1	1	1	1	1	1	1	1	1	5463	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8849	1	1	1	1	1	1	1	1	1	1	1	6171	1	1	1	1	1	1	1	1	1	1	1	9075	10101	1	1	4461	7134	1	8122	5138	1	16142	7478	1	1	1	1	1	1	1	1	1	10420	1	1	1	1	1	5163	1	1	1	1	1	1	1	1	8217	1	4550	4551	1	1	1	1	1	1	1	1	1	4711	1	10279	1	1	1	1	1	1	1	1	4481	1	1	1	1	1	1	5540	1	5173	1	1	4391	1	1	1	1	1	1	1	1	1	1	1	1	1
5,6-Dihydrouridine	32625	34511	49130	59466	51854	54602	56105	47446	62505	60928	42229	46757	40783	44252	40227	41169	37675	38951	38007	39421	34336	37203	44322	42686	31002	37236	32523	40237	41884	43465	34706	38616	38698	37683	40471	39123	49001	44498	50487	46957	48986	50824	54639	48793	37945	37169	60856	46893	55184	59674	47322	54458	56256	56077	49504	50789	49639	48820	50186	52550	47189	45703	47529	48187	53603	51755	56985	42404	37078	39425	41607	41115	31288	32392	15527	15678	48998	51677	50644	51071	32958	31361	46549	43834	36788	29763	38161	49482	40868	43197	45822	48100	41091	44456	53906	55191	42796	41465	27302	45361	44277	42867	35137	46779	29801	31807	49465	52018	46810	48165	27500	27367	26846	28522	44966	53501	51053	51739	33168	44692	46429	64126	62315	64322	55851	56397	52529	47926	40473	57450	46106	58291	20010	19650	54343	55596	70242	68063	39379	35721	45839	48332	37738	39159
174.0164@1.8482997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10345	1	1	1	10279	1	1	1	1	1	24172	1	1	1	1	1	12026	1	1	1	1	1	1	1	1	29275	55634	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13014	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15391	1	1	1	1	1	1	1	1	1	1	1	16394	11569	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
388.059@1.7697223	1	1	1	5955	1	6656	7636	4829	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22888	1	1	1	1	1	1	1	1	1	1	1	1	1	16506	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4606	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13745	7158	9095	1	3469	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6124	1	1	1	4565	3666	6991	1	5137	1	1	1	1	1	1	36999	1	1	1	1	1	5982	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
118.0268@1.8542767	1	37646	46009	1	58356	60161	1	44776	1	1	53298	36207	1	39602	1	41682	40859	1	48626	47430	1	1	53240	1	75981	68482	47667	73980	65308	62075	34372	45037	1	49460	44646	1	45110	46767	44425	43177	1	35173	64485	1	129005	89205	47937	64690	63813	64828	1	43117	36688	41241	48920	53128	45702	43270	37873	39627	1	49860	51615	1	1	46181	47816	61397	32188	47548	71431	67741	45326	42431	18809	1	1	1	1	36795	72394	57448	48606	41576	39629	1	1	43217	37919	18603	32723	1	1	1	43965	47508	68248	65752	44553	46218	1	40043	25855	27234	1	1	49150	42644	1	36616	105943	103741	50616	43624	50693	57521	39440	1	20553	14775	46731	1	1	1	37151	44288	53018	49534	1	1	40270	45402	24030	34277	52470	43928	54067	50504	1	1	43450	1	1	1
201.866@1.8245385	1	1	1	14353	1	1	6465	8514	1	1	1	18461	1	1	1	1	16190	8705	1	23325	27711	12878	1	8473	9576	1	11444	10661	1	9046	10740	10700	11483	1	10520	1	9750	8838	1	1	11670	8080	15533	5041	9428	5353	1	9119	6078	1	1	1	1	1	1	16681	1	1	1	1	7071	1	1	10126	1	1	5499	1	9172	6194	8734	1	1	1	6539	8024	1	1	1	5302	6689	1	1	1	1	7303	1	1	1	1	1	10532	6619	9447	1	1	1	1	1	10960	1	1	4066	7647	1	1	1	1	1	4412	1	1	1	1	9711	1	1	1	1	1	1	1	1	1	1	5362	1	1	1	1	1	5278	1	7024	1	1	1	1	1	1	1	1	1	6313
174.0164@2.060037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17435	1	1	1	19544	1	1	1	1	1	1	1	1	1	1	1	23462	1	1	1	10412	32109	1	1	19073	1	1	1	1	1	1	11300	1	9466	1	1	6072	1	1	1	1	1	1	1	1	1	1	19004	1	1	1	1	1	1	1	1	1	1	32621	1	1	1	1	1	12756	1	1	1	1	12287	8463	1	1	12078	35446	6159	23652	13504	1	1	1	1	1	1	1	9489	7949	1	1	1	1	1	1	10523	1	1	20532	1	24557	1	1	1	1	1	1	21553	1	1	19471	1	1	1	1	1	1	9580	1	1	1	1	1
201.8661@1.978349	1	1	1	1	1	1	20096	28778	18626	1	1	16005	1	1	1	1	18898	22898	17927	1	1	1	1	13340	1	1	10626	12861	1	10328	7299	9385	9808	1	1	8565	15304	1	10009	1	12900	9394	10924	1	1	1	1	11278	1	1	1	1	1	1	1	1	1	1	1	1	8259	7698	1	1	1	1	1	1	1	7425	11339	10432	1	1	5552	7852	1	10634	1	9376	1	1	1	1	1	5426	5731	8291	1	1	1	1	1	13877	1	1	1	1	1	12116	1	9088	1	1	8297	1	1	1	1	6401	1	1	1	1	1	1	1	8219	1	1	1	1	1	1	1	1	9590	1	1	1	1	6656	1	1	1	1	1	1	1	1	1	1	5954	4976
152.0335@1.9931979	33008	34826	14826	25446	34637	13340	9341	32814	20476	16407	1	16884	1	28048	31243	35400	6775	1	1	16032	26289	1	11210	1	1	30148	1	22265	1	1	25626	27737	1	22853	1	24398	1	23911	27481	29126	31987	1	1	18456	70058	67984	29898	1	20721	1	34943	1	1	23032	1	1	1	1	31117	1	11377	45235	1	1	27794	1	23027	1	1	28465	30900	28865	1	1	18533	19292	29229	32488	1	1	1	43431	40590	40417	43474	45250	1	33767	1	32401	32690	27249	28978	1	31380	32038	29420	26026	1	19968	39679	39778	39762	40844	1	32329	22195	20546	32846	13825	1	1	1	1	32259	29396	29572	32065	21173	1	1	1	1	15926	1	1	12660	1	28212	1	30637	29647	1	24098	38932	40822	38673	28346	1	23521	26909	26021	30296	28212
196.0595@1.9865847	1	1	19263	18477	29331	26976	37337	39306	1	1	1	1	34480	1	23286	23106	14861	17413	1	1	1	1	25602	26897	1	8025	41232	41751	30224	27491	1	1	1	1	1	1	29702	29636	1	19809	24547	26404	21902	23984	16473	15499	20619	1	1	1	1	1	1	1	1	11810	19324	1	1	1	1	1	1	8289	17257	18711	8856	21452	13551	1	28391	26569	1	1	1	1	1	1	1	1	13773	13229	21732	18005	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17666	29060	26614	37479	38164	16013	9528	1	1	1	1	1	9317	1	1	47790	48610	1	12876	1	14126	13502	1	24850	22268	50455	51353	1	1	39625	43011	1	1	30466	28933	39314	40846	1	1
382.9916@1.9763929	1	1	7266	8006	9608	10199	16800	14488	1	1	1	1	16059	14763	8221	10707	1	1	4336	1	1	1	11684	11443	1	1	17275	18566	12240	1	1	1	1	1	1	1	13502	10957	8136	1	11469	11580	10287	11629	1	8526	9923	9327	1	3194	1	1	1	1	1	1	1	1	1	1	3623	1	1	1	1	1	9120	8499	1	1	12270	10844	1	1	1	1	1	1	1	1	1	6185	1	7653	1	1	1	1	1	1	3083	3956	1	1	1	1	1	1	1	1	1	1	1	1	6710	6660	10270	9246	12613	12742	1	1	4305	1	1	1	1	1	1	1	18630	19068	1	4535	1	1	5717	1	10286	1	17389	16870	1	1	15284	11458	1	1	11164	9767	12288	13390	1	1
C34 H60 N3 O2 S2	20126	1	11695	10122	6229	10569	12035	10648	8697	7514	29473	34913	8984	12189	1	23998	96293	101596	27003	45787	1	7571	16902	28923	1	27021	32211	35430	17153	6626	5719	6670	372883	391081	201124	211628	72536	68250	185859	169771	23634	31759	65662	61026	24836	14475	150955	160105	133315	143955	12302	1	22398	21216	13750	18258	10583	18572	23424	1	11691	31067	40906	40088	6190	66885	55766	70925	69300	115947	93867	87034	30446	27088	34442	35638	16013	15879	10126	8558	46825	52727	47783	51768	23381	28773	10804	22044	18935	13480	46367	47771	31014	27267	12613	17639	23923	19960	21902	21126	24319	1	28879	30478	4963	9304	53987	18793	64542	65534	45383	40780	34170	35689	156779	154458	261848	249226	14531	15843	55306	58433	46899	46793	15460	1	32516	1	8880	1	15469	20864	1	6165	189524	154341	80178	86308	11450	9925	25138	15882	12731	14060
266.9262@2.05816	1	8863	15426	10537	16259	14891	1	1	7851	8080	1	1	1	19398	17736	12766	7730	13500	1	1	4499	1	12915	1	16296	1	9919	19745	17204	16928	20845	1	1	1	15189	1	1	1	10424	18675	17523	10273	16100	6699	11275	1	24352	24731	1	12217	21556	11434	19571	21161	18164	10073	13876	17147	11925	13157	4637	8528	1	1	18916	22004	17161	1	17306	22837	1	8072	1	1	11841	13105	16890	1	1	19322	1	12264	16260	16153	19302	18018	11312	13768	14647	1	1	20035	1	19092	18877	25914	20000	1	10742	7622	14434	15569	15295	17353	1	1	19325	21481	22128	22366	1	15082	1	16243	12808	11989	13836	1	8924	1	1	13494	13451	1	21085	12995	29207	1	14922	18700	18111	15417	10497	9023	22683	20713	20123	19076	1	12529	11112	22295	1	1
160.0157@2.0679317	7223	11734	1	1	1	1	30452	14622	28426	1	20480	29422	1	8157	1	1	1	18550	18323	22874	1	1	1	1	1	16067	23414	19982	9379	1	20336	1	20521	22710	1	16411	1	18270	1	1	1	1	16923	19184	19770	20130	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17906	22344	1	9476	1	1	34420	1	1	1	39022	38909	1	1	1	1	1	16934	1	25289	1	1	25934	1	1	1	22934	1	1	1	1	1	1	45889	1	34212	29862	35548	29926	35523	41530	26711	1	1	17632	22590
2-Hydroxyethanesulfonate	1	1	146371	146285	152834	160882	95519	88831	89765	94151	107448	1	177586	191872	163248	178497	88472	119229	1	9086	46502	1	1	157462	9902	73285	149931	72620	131664	139975	167080	156685	124628	8350	39922	74185	61838	17143	1	79333	126034	10469	76961	84953	173653	122365	227279	266047	202251	118425	205039	204953	184819	184471	119822	1	1	136917	118600	128930	1	79493	145339	107892	201267	210476	1	1	135681	221142	154820	1	1	8896	80354	14154	103541	88439	219353	210904	1	43856	140993	1	163823	96191	115556	150739	151178	167159	240799	202515	159661	73959	257498	250384	160371	15537	173060	166137	201053	221009	205159	199082	74574	7607	223847	277092	265771	175751	85910	158911	75656	93942	185214	194261	173739	157945	64488	64347	96508	57108	1	112027	205774	216936	249003	247771	271051	278248	314511	320471	81299	8860	280691	267935	422485	405757	139094	134411	272839	292370	72410	1
983.9983@2.083497	1	1	9164	9391	1	20311	23008	20553	21310	26356	1	1	17065	30176	26800	25840	19371	27546	18529	21803	22484	23703	22272	23227	32267	28638	21796	25192	20452	22079	22222	26052	32509	43145	31904	33477	32565	28693	30086	25659	24925	26171	22082	27941	25294	19363	28081	30480	38939	41715	36530	38533	30337	31077	25334	27483	23881	24862	24365	40537	41105	46459	48025	43416	31964	31799	24504	26376	22735	25688	23429	19354	20716	18683	32456	32082	37185	50126	36553	36537	27596	31510	37930	28951	32194	29835	37192	39694	34666	37472	36870	33477	39235	34860	35450	32545	35002	43052	33728	40577	41098	36120	34709	32735	30716	31734	31790	42220	43365	32581	35749	28944	35084	42276	40956	49174	48392	42437	42978	41360	41940	42094	39337	37463	43055	44279	46627	49511	48415	49407	50184	41551	27489	25615	35871	41916	30268	33634	31977	26704	30347	29673	24471	31990
112.0165@2.0866668	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13949	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9658	1	1	1	1	1	1	1	1	1	1	1	18419	1	1	1	1	1	1
130.0062@2.129	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2910	1	1	1	1	1	1	1	1	1	1	1	5091	1	1	1	1	5122	1	1	1	1	1	1	1	6209	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6356	4755	1	1	1	15890	7109	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8808	1	1	1	1	1	1	1	1	1	1	16266	1	23259	22732	29084	10320	1	1	1	1	12533	11879	1	1	1	17142	1	1	1	6794	1	1	1	1	1	10796	1	1	11445	1	23367	1	1	1	1	1	1	1	1	1
206.0618@2.0868	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4745	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5164	1	8703	1	1	1	1	1	8626	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13792	1	1	1	1	1	1
222.9989@2.089	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1980	1	1	1	1	1	1	4133	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
326.1907@2.09033	22476	21717	23965	23727	24228	23160	22001	26329	21441	22974	24106	27414	22599	22296	22582	1	27227	22868	22844	10953	9421	1	1	1	16723	15535	5311	1	25175	6751	6398	1	13843	13871	1	1	13557	1	1	1	1	15235	1	15763	1	9534	1	12475	29308	23349	23659	22051	1	19574	1	1	1	1	1	1	1	21757	20409	1	1	13611	1	1	13467	15365	1	9519	1	1	1	1	24193	25447	18791	1	1	1	11399	10479	1	8820	16345	21559	1	26336	1	19537	26181	1	15265	9645	18508	18474	21997	21610	1	29498	28111	25078	20810	24821	18377	26995	24554	24194	16377	18552	20874	20329	31881	32558	29379	31750	1	1	1	1	1	1	21425	22849	1	1	26379	1	1	21631	1	1	1	18053	20986	20822	11811	1	1	1	11913	11504
Glutaconic acid	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20225	1	1	25778	25695	11666	23297	17382	1	14934	1	14237	1	19556	22009	15711	1	26601	23729	1	29871	17957	1	1	27711	27374	1	1	1	1	1	1	1	1	1	1	14193	22500	1	25968	1	1	24653	27053	25215	25090	24335	1	13324	1	1	1	1	24617	23344	1	20882	23996	23311	1	26497	10997	26655	1	20659	1	1	30691	1	30444	33306	1	1	34989	36916	1	1	35163	1	30744	25629	1	1	1	1	1	38795	1	1	27336	30101	27796	1	40481	1	1	1	1	29950	28172	1	1	25057	26453	32141	34304	35700	1	44465	1	1	1	1	1	33880	1	1	1	1	1	1
312.1751@2.0909996	21853	19665	23925	20242	22577	21532	20528	18228	20521	24229	20882	19692	23096	17243	20895	1	18896	22490	27210	10311	8957	10108	1	1	14318	12713	1	1	22697	1	1	1	12900	1	11637	1	1	1	1	1	1	1	1	1	7996	1	1	1	23353	1	27494	1	1	1	7847	1	8283	10942	1	1	16955	1	1	1	12592	14665	1	1	10324	14510	1	1	1	1	1	1	20108	19159	18866	1	1	1	1	1	1	1	1	18475	1	22610	1	1	22441	1	1	1	21316	16760	17507	16321	1	1	25335	17859	17616	18588	1	22631	23977	20527	1	1	22993	18992	24879	29773	28950	28367	1	1	1	1	1	1	18828	21165	1	1	23203	22002	22020	17413	1	1	20892	1	21267	22525	1	1	1	1	1	11349
789.9814@2.0891302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8198	1	1	1	1	1	1	1	1	1	1	1	1	7465	7497	13596	1	14024	12365	1	1	1	1	1	1	1	1	1	1	11361	11485	7349	1	1	1	1	8817	1	1	1	1	1	1	9484	1	8496	1	1	1	1	1	1	1	1	1	9854	1	11718	1	1	10263	1	1	1	1	9814	10648	14778	11991	11389	1	10102	10548	8791	12347	11340	11813	9100	8572	11385	10673	13538	14477	13862	1	1	1	9066	1	1	1	9859	11861	10036	1	14202	11786	11909	9220	1	1	9085	8768	9315	8004	1	1	6914	1	1	1
303.935@2.0924392	1	1	7568	1	6054	8640	1	1	1	11665	1	1	1	6079	9182	1	9870	9806	5325	8591	5751	1	4670	4915	7090	1	1	1	1	1	12024	10071	1	9106	1	7772	7370	1	1	1	5952	1	7285	1	4644	6075	7412	1	15284	9210	14534	8464	6700	1	7954	1	1	6228	1	1	1	1	9608	6923	6279	6199	1	4911	1	1	1	1	1	1	1	8522	8163	5734	6545	8114	1	1	6501	1	1	1	7700	14174	10249	12328	12055	13512	9573	7992	7369	11102	1	1	11766	11367	21589	23987	14500	8203	11256	12134	11560	15478	18961	17817	14643	13117	10496	11479	18266	18333	13327	18323	9230	12611	6392	8525	1	1	8929	9796	1	4862	19447	13685	13895	13394	1	5336	11169	12443	12628	14191	11551	6579	1	13450	1	1
198.0384@2.0921817	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11705	1	8590	6806	8172	7058	1	1	1	1	1	1	8591	8073	9553	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9062	10001	1	1	1	1	1	1	1	1	5590	1	10724	1	1	1	1	1	10411	7861	8236	1	1	8424	7578	9223	14055	1	9104	1	1	1	1	1	1	1	1	1	1	9100	1	1	1	1	1	1	8139	1	1	1	1	1	1	1	1
142.9432@2.0913825	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	45281	49064	1	1	55570	41435	1	1	1	1	1	37744	1	1	1	1	45099	1	1	1	1	1	46514	1	1	1	1	1	69639	58661	1	48830	48697	1	25168	49472	1	40422	1	1	1	49109	1	1	1	52140	1	1	1	1	41292	41357	42311	42541	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	47991	1	1	56958	24785	1	1	39015	1	1	49792	1	1	1	1	1	52307	1	58293	1	52371	1	1	1	1	1	51007	1	56248	1	1	1	1	1	1	1	1	1	1	54110	1	58274	1	1	1	1	1	56203	1	40032	1	1	1	1	1
144.0595@2.0931137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7190	1	1	8702	1	1	5586	1	1	1	5100	1	1	6729	1	10937	10388	18609	18639	12044	11593	1	1	1	7673	5145	1	6252	1	1	7139	1	1	1	6439	1	1	1	1	1	1	1	1	1	10984	10397	1	1	1	1	1	1	1	1	1	8262	1	13075	1	10452	8577	1	1	6692	7253	1	1	15924	10391	1	8130	12761	11657	27179	38474	21328	22028	8630	1	10625	11112	13652	13633	14000	10879	9940	1	1	1	1	1	78084	88089	1	1	27965	13052	30805	28807	1	1	12646	13523	14095	1	16289	13878	12010	1	1	1
131.0582@2.091875	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	68874	60023	1	50457	69389	66861	1	4877	1	5605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11393	1	1	1	1	1	1
606.4116@2.089605	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5268	1	1	1	1	4039	1	1	1	1	1	1	1	35596	39599	36022	24106	8097	1	18391	1	5369	2917	6318	6810	1	1	13987	11826	21417	1	1	1	1	1	1	1	1	1	1	1	20742	1	4054	4599	5342	1	1	5383	7838	13476	6448	1	1	1	1	1	1	1	1	1	1	1	6625	3968	1	1	1	1	1	1	1	1	4008	2843	1	1	3644	1	1	1	1	1	1	1	1	1	4768	33649	1	7865	1	1	1	1	1	14802	25265	1	1	1	1	8396	1	1	1	1	1	1	1	1	1	1	1	1	18370	22444	1	10350	1	1	1	3160	1	1
266.0437@2.122	1	1	1	1	1	1	1	1	1	1	1	1	1	5793	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4172	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5413	12665	1	1	1	1	1	1	1	1	6066	1	1	1	1	1	1	1	1	1	1	1	1	1	8014	4355	3927	1	1	1	1	1	1	1	1	3447	1	1	1	1	1	1	1	1	1	1	1	1	1	3699	1	1	1	1	17023	13489	9690	8278	1	4190	1	3883	6776	4773	1	4961	1	1	1	1	1	1	27628	33967	24777	22689	14379	7948	16894	12514	1	1	3817	7957	7153	1	11280	9953	1	5581	4506	1
Deoxyribose 5-phosphate	47489	55453	82101	82412	77563	68477	1	80573	91069	93081	57806	64234	90304	102850	94358	112397	96345	124307	114643	125806	118201	119333	117355	114381	130477	124922	90122	54753	53440	1	98669	116684	121265	128783	131068	128945	120146	124945	108770	111291	117883	119610	1	128184	114042	113194	1	131711	154896	143310	149589	136349	139272	136995	131092	121442	122399	118330	113250	124931	134752	92752	114217	129917	121850	121852	109273	121465	125357	127983	127218	120303	95184	107610	108519	104296	147355	145292	138630	144803	98593	109395	119232	92134	121373	104410	131978	140908	149401	156103	159583	136133	150482	145202	121887	124518	146017	153979	138972	145786	165459	152660	162316	152355	150183	1	148250	163246	163214	157988	143224	131655	143395	142192	176658	162726	167749	165029	134241	131418	127934	131399	117548	118865	80429	154314	133030	123286	161559	156020	146627	166027	98560	82550	159704	167035	161917	164224	124804	121480	119017	125795	1	121370
C14 H N S2	98782	111696	155727	145339	148175	137415	144274	146075	161516	153978	125219	132493	171761	190571	194165	1	207455	213462	208551	234782	253815	230692	246657	253089	302473	277577	184164	168193	158193	172478	201293	201944	239211	262712	254304	256847	235254	242560	216728	215028	236004	258999	242169	246139	210521	198796	256744	246324	319596	226858	318379	287472	283001	286530	237007	257957	259783	258823	226962	219702	283739	271696	269394	254850	217626	250111	218195	247057	250074	290159	246070	216982	192271	182661	183945	194893	284194	281319	281240	270781	178246	207351	226070	207041	229017	214454	254992	267100	284997	255994	307285	268295	317668	291276	231750	232848	286183	291021	282729	259536	309194	311399	305603	289545	269875	263605	210634	296369	296353	291760	240812	247458	296349	237093	338999	334551	327727	319814	240992	233350	228118	243430	189763	193269	275583	275386	269762	248992	297556	277997	284305	276922	1	144656	286399	260334	272300	271685	200356	134094	196030	194183	206131	210329
161.9428@2.0970402	143995	120737	63821	51142	143206	139869	146872	78041	45781	54669	130926	120533	117479	1	86653	61380	52336	52608	48179	69771	68059	72155	69954	67670	70149	120749	53496	1	36286	92979	62009	57641	1	112582	63711	61743	61703	1	62509	1	62044	74337	63649	1	1	52456	70521	44107	101904	73057	57910	121574	79431	58666	60046	52569	55223	58810	35066	37940	48303	63060	1	65606	45935	1	61718	51441	1	61750	67065	41560	47110	37301	51175	45279	66539	65039	103763	117763	1	102448	1	52365	53976	43909	1	1	1	92067	1	64070	42596	73057	56552	36751	44980	1	56153	122402	104460	143852	76954	50897	79753	37882	51089	38495	130152	122323	71978	1	93676	90271	101728	92051	93001	138888	68393	107393	110218	54269	52296	53356	27633	78211	57790	51221	52938	83997	94789	76111	38232	1	86612	1	79426	77049	88527	46993	94461	50355	57648	41522
381.9126@2.0957143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4718	1	1	1	1	1	1	5951	1	1	1	1	1	1	1	1	1	1	1	1	1	4725	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3010	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5328	1	1	1	1	1	1	7461	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6541	1	1	1	1	1	1	1	1
C15 H3 N S2	16421	18418	23562	23861	1	19735	1	22632	25655	1	17294	19191	25065	29353	29145	31112	29977	33566	33937	37482	35408	37925	35074	33092	41287	42471	24906	23345	23365	1	26379	30787	34234	35869	37431	37899	26876	25430	35095	34974	35707	40087	32043	18381	28933	30730	35186	40462	39412	43549	53207	48339	42766	42207	32865	37016	36363	1	31779	35238	38684	38974	39374	34587	33381	36071	31738	34762	32878	36677	38245	29912	28299	29667	23680	1	1	43987	41812	39929	24932	27250	29446	31988	35775	34182	37727	41737	39449	44668	49143	39265	44969	42361	28609	29025	40421	40362	39749	41099	48195	45762	42737	38649	37623	41362	36402	41669	42219	42743	38161	35925	43141	45417	48945	49827	48338	49680	37773	35898	32524	34863	29627	30718	37313	34197	38526	38505	44117	43470	39494	42072	20061	18187	42620	40282	30013	36936	28515	29060	29309	22651	33387	28082
C6 H O8 S	232568	250393	344340	319897	300901	288864	300742	314295	317864	331915	261849	282907	393608	429868	430195	485086	453360	444996	471685	484700	515561	497958	530127	543314	615423	595695	1	364828	343113	1	432169	412260	501895	524098	562153	533925	496750	531664	463526	1	455239	514532	508334	498817	459553	445583	504777	514936	684168	624184	698818	613167	618980	616354	524335	550895	534430	546469	463978	518234	603933	565648	557339	509582	507846	484023	489757	518484	559864	599185	505055	450516	401848	402909	1	424034	621780	599674	596693	557913	1	493845	495682	440284	475430	471964	512748	578346	606509	597946	641958	558022	666443	672872	538817	487220	629258	619213	599346	588733	681523	640591	687439	581237	551929	573657	541765	632084	616796	571000	536125	509287	651743	620367	716207	709776	668165	671156	519091	546520	485777	477201	1	455388	566636	630402	584318	562506	639999	608549	598955	595850	1	1	594765	542689	551129	563037	1	373059	408767	417133	457813	466235
237.111@2.1009555	1	1	10263	1	13850	14032	16448	15723	14164	1	1	1	13554	17164	18487	12757	16301	1	17271	17004	18654	1	1	17359	1	19907	10326	1	1	1	1	1	1	1	19866	14586	1	19603	14626	1	1	16009	8606	18488	1	14031	11265	17819	23222	21596	1	20725	8641	1	1	1	1	1	19001	8633	1	7679	1	1	1	1	14328	16176	21399	1	17085	17749	1	13010	1	1	1	10166	1	1	13023	13738	1	1	8214	13176	1	10551	1	12989	14531	1	1	20988	1	1	1	1	12407	1	22247	13973	12623	1	9595	8930	1	1	1	12465	17942	1	1	1	1	1	14751	24717	1	1	18561	1	1	1	20544	1	1	15124	1	1	12722	1	1	1	1	12316	1	1	14172	1	1	1	15546	17101
188.9491@2.0924404	59798	57483	77436	80413	76152	73623	72253	71836	53425	77863	65658	67556	97267	104068	94366	110553	110053	106765	1	114390	120496	108605	117127	120755	137912	112572	95752	88337	82829	86219	96872	99140	124466	121303	131377	128028	127308	137211	123368	1	135031	1	126707	121568	108981	119692	125054	134125	159509	152882	168702	108485	153921	155155	126458	140183	135358	130356	124283	126931	141347	146035	140464	130276	77624	130133	1	129174	125083	126078	119059	106344	97220	93074	96251	92888	131719	137186	128186	130812	83800	94190	113941	105136	115023	1	127252	124599	127000	140531	100364	128111	151255	155225	112254	117755	143449	140835	134839	134309	165142	100829	161346	132931	131755	135610	126153	138963	142910	127411	123463	117794	150453	138295	151813	158066	165854	163789	123499	133212	120775	109824	110044	60377	107573	141078	1	136308	152800	140474	146881	140926	1	1	133893	126790	124548	126887	103566	89629	90852	93520	103948	100056
205.9497@2.098523	1	1	12251	1	6537	18136	1	1	16848	20251	23784	1	7580	1	1	11448	17679	31331	14947	15237	1	10643	1	1	16799	13597	12410	1	1	1	15241	10927	1	17560	18701	1	1	1	14836	1	1	1	14400	12935	1	13271	15202	13719	29762	16096	1	18184	8512	23127	1	13490	10927	1	13473	13772	8019	1	10566	12187	17986	1	11377	11736	14897	14246	11144	1	1	1	1	1	9589	15290	15938	13391	1	11307	12514	11411	16807	10942	22590	1	13551	9868	1	1	1	8461	6854	1	12751	1	1	13864	28884	20304	18456	17656	1	28040	7862	21495	11437	28692	1	1	15986	21013	1	18442	1	23726	1	22156	10659	1	1	11415	1	1	1	1	17291	21028	23630	22092	1	19135	17051	13013	15420	1	8119	1	13172	1	9939	6764
159.949@2.093909	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	27251	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13602	1	1	1	1	29776	1	1	1	1	1	1	1	1	1	1	23285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22157	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28337	29118	1	1	1	1	31038	33768	1	29299	1	1	1	1	1	1	1	1	1	1	1	1	1	12977	1	1	1	1	1	1	1	1	1	1	1	1
118.0629@2.1040714	1	1	1	1	1	1	1	1	11400	1	4574	1	1	1	1	1	10105	1	1	1	1	1	1	1	1	12395	1	1	1	1	8254	1	1	1	1	1	11332	1	1	1	1	1	1	1	1	1	1	1	1	15748	1	16949	1	1	1	1	1	1	1	1	6820	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11789	1	1	1	1	1	1	1	6388	1	1	1	1	7011	1	1	1	1	1	1	1	15192	1	8735	1	1	1	1	1	1	21884	71193	33309	20797	1	1	1	1	17151	1	1	1	1	1	1	1	1	1	235625	285445	322824	1	1	30049	25254	32944	1	1	1	16352	1	1	1	11838	9680	1	1	1
956.9791@2.1224396	33783	11714	54127	48908	59739	1	185161	65060	159120	179630	148637	100093	1	1	1	1	97160	123392	94772	59755	69438	67071	59990	70849	98375	91763	53010	65434	61049	53836	58485	46056	93874	62239	87113	96288	1	73451	72752	61521	112972	59302	85993	108218	55227	49007	74479	78250	81934	52304	53203	1	1	1	83914	77298	71742	1	1	1	85499	112502	121005	1	1	77064	82440	80878	46689	61418	56680	61016	75838	45074	56781	44465	32557	108866	1	92253	74658	112750	65335	72305	159515	72320	94186	65924	1	1	87349	77934	69816	73780	1	1	71746	80724	118874	177116	80592	71294	70731	95448	1	1	1	1	84970	71722	65312	1	28438	71202	83509	86659	94530	85831	1	71693	1	1	64077	84186	1	1	1	1	115926	108432	1	138707	57571	46667	95158	113294	1	1	61733	1	1	1	54997	79313
236.9257@2.1100159	27280	23668	25278	26696	28060	1	25233	19269	26007	25837	1	1	26773	31341	30897	29949	32504	31332	32033	25760	27195	28833	28579	27651	32478	32513	23245	1	24291	24686	26455	27086	30334	25782	33933	28671	28378	28281	28403	26362	31706	35501	28565	29618	26286	27102	1	25737	29835	31890	32807	29410	31404	32668	32890	27307	38225	31498	33676	27605	29355	27363	31290	21207	28794	27634	29594	30310	27694	31916	23965	1	22994	25607	19593	23429	33403	28736	28620	1	22996	22101	26456	1	26154	24953	1	29008	25500	23169	1	27362	24269	33736	17596	1	26733	29661	24013	21991	22788	1	19750	26056	24218	21961	18126	19274	1	24521	20699	20420	26035	17401	27486	29676	24311	22968	25346	24236	27057	24979	25202	1	17735	18935	24390	22322	28629	28208	27897	26924	20667	15518	26472	28034	26087	21286	18838	17470	1	1	18373	22865
192.9326@2.19425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4192	1	1	1	4234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4780	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5399	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
C14 H29 N4 O2	1	1	12554	13642	13513	13911	12973	14399	14740	12865	9470	11497	9339	10647	12481	13605	10706	10433	1	9761	7587	7826	8089	7840	8403	7017	5632	5262	7033	7584	8469	8708	15769	14499	12394	12709	11857	9248	9517	9469	13203	12830	12715	12669	8809	8420	14928	15531	13019	16142	14470	12422	13603	15141	12610	14838	14436	14088	11612	12801	12066	11525	12244	14420	15693	13739	13570	14449	9012	7712	7677	7007	1	1	1	1	11647	9500	12737	12558	1	7455	9078	9098	9320	11692	18130	17394	17886	20017	1	8520	6031	8079	11478	14225	9254	8835	8233	8114	10346	10592	10117	4896	8502	6504	12146	11135	9358	12902	9117	10499	7777	8323	17380	17931	19894	20227	6011	1	11159	11577	9980	8374	11308	11329	8922	9594	19489	18205	22968	20539	1	4508	11403	14519	11706	13276	8220	10796	9315	11213	8208	10162
222.9101@2.1104894	1	43385	51251	50080	51581	47903	45297	42398	50731	44197	45373	48292	52587	58133	63755	60773	60551	56870	66401	57138	56419	56896	64357	56552	60260	61234	44834	51841	42236	46777	51996	53653	53297	56991	61606	64562	63188	56676	53724	49180	61484	57847	54659	59289	57414	46561	51960	52922	54315	62483	50201	50090	57167	55121	67139	62919	63784	62484	53759	51913	53909	57194	56769	49973	52212	51524	44829	58710	62046	61369	48669	55356	48364	51544	46018	43356	55669	54170	45991	54588	44174	50387	56415	48474	41101	55594	54436	49400	47481	46461	52178	53595	51122	65274	40889	42910	54830	53740	49951	47578	48671	46088	40590	60281	50339	45630	54343	46587	43162	40824	42107	41153	54809	55455	53338	59564	52785	54940	53592	48599	46510	51128	49852	53540	48677	37297	47817	56774	52524	58229	52373	53187	35144	28427	54506	51067	41065	38094	35823	43570	38876	37340	50262	48075
294.1829@2.1066248	40816	37601	47633	51462	49187	52338	46555	48030	51420	42413	43033	47396	51003	52712	59926	55592	58725	59063	62384	58149	44845	39686	49144	41958	55979	52495	32156	46628	45438	38505	34636	38960	59162	35144	47637	46816	65872	1	47889	1	48734	57699	43033	44948	39300	34766	45009	40885	32440	53070	37131	36940	38281	35496	48632	51346	57312	43150	35097	40655	44663	1	43589	46768	46670	44802	45091	1	23689	47913	44909	58360	45702	52074	43007	45857	44197	31967	38805	48675	41564	30331	37521	48283	42243	47982	42715	31132	34296	39484	36311	45240	40501	38100	28448	11245	27982	39054	14632	30609	62099	37791	37409	39851	36088	1	48773	27000	41493	36805	39393	1	1	49409	42137	58519	68661	61874	43637	39267	41726	48859	50889	38116	1	39950	40248	31747	42530	47348	44408	60236	34235	30932	56774	47399	39215	38799	33672	51478	20640	49528	50584	53153
190.0272@2.1034837	1	1	1	1	1	1	1	1	1	14627	1	1	1	6276	1	1	1	1	1	1	1	1	1	1	1	1	1	10309	10562	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3223	1	1	1	1	1	1	1	1	12262	5279	16726	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5210	1	1	1	1	1	1	1	1	1	1	1	1	10632	23470	26074	11027	1	1	1	29195	1	15036	17955	1	16309	7072	1	15921	23020	1	1	1	16575	20946	1	9069	1	1	1	1	1	1	14564	1	1	1	14365	19011	20390	16712	7820	13795	11943	1	1	1
199.9617@2.114961	29835	35313	41229	43314	26432	45354	1	26376	36515	31784	32409	9040	33051	37519	42427	29301	41467	39963	43852	45743	1	26325	29734	42618	21016	40223	34400	29191	35987	37206	23286	29223	33422	35207	36235	30745	35311	26823	40479	29454	33410	39160	42541	33590	35074	33396	32489	29441	27266	33002	25620	1	1	20010	45236	39957	40404	25095	31146	31871	32449	25948	29275	15750	29459	40517	37364	37022	41898	45178	28642	45388	40074	39561	36887	26260	26387	27314	32023	30813	29533	1	34392	34909	34322	31159	39373	30318	23616	25677	29909	36137	26392	41019	24589	1	1	36740	26526	30396	22697	33788	1	42792	32637	20743	38187	29727	21178	25032	20981	37249	26508	24780	23509	32864	35760	40906	20978	28725	35483	37907	8827	1	21999	25399	1	26268	30150	37660	1	22332	29969	1	35681	38153	31553	1	1	25215	22940	30499	29708	24475
648.2417@2.1173563	4174	17274	25077	5983	2950	11459	20300	4503	1	1	6596	6816	43379	53058	31088	26390	12731	9336	6648	6627	15719	15852	7867	5451	5164	1	8102	9064	15238	16415	1	1	18505	18006	14943	18359	17157	26252	21534	16560	7526	6766	1	1	1	1	11657	14729	5147	7761	11215	8666	32329	27125	16574	13932	9094	8298	1	6046	7214	8980	15782	12619	35847	59500	14100	15429	13219	17809	19100	14533	1	1	1	1	7311	6476	1	5458	13203	15692	7904	1	11319	9376	32199	20823	18805	11570	4845	1	3850	1	17297	20421	9354	1	1	9198	5858	5831	1	1	12189	8743	8385	5056	5815	7793	10918	11320	12535	16803	5471	15829	14924	12813	1	10998	6984	7050	1	1	7586	7700	1	1	14361	7829	17471	8229	1	1	14426	11555	11249	10044	19298	19383	16346	16769	23673	18310
154.876@2.1206987	213202	200035	184709	207176	103553	196448	150180	1	1	1	1	1	53328	118387	108478	1	1	101513	1	156095	166887	186567	164821	211108	1	1	221835	235751	199166	215537	191777	195671	214436	174096	257675	180195	202918	167825	185220	182506	212716	1	196655	236519	189181	215314	190893	194558	153100	194503	176623	152979	198551	168155	195091	1	177789	207381	181003	212316	158080	179461	1	157490	151969	146639	1	132102	185983	197346	172098	196339	185448	1	204228	209543	167539	160343	161629	149413	187104	230508	192790	204921	173470	188974	191600	160277	167351	89023	156231	182774	155807	190169	188324	169733	135134	162739	174965	169547	171998	148536	162954	1	194789	202597	166526	154582	149941	160165	176529	180997	171859	166249	185852	172648	168233	182419	185950	1	181471	195067	224910	1	117928	1	93724	122801	169890	155822	187788	1	213958	171009	1	165158	201797	171347	135330	162532	165527	158297	177297	188842
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312.0488@2.1591225	12746	21549	22055	21393	21822	1	28039	26952	1	31594	19632	16261	15775	30494	19162	35976	12376	24456	9261	25250	29021	15845	15208	20018	27969	27752	1	21203	1	1	33346	24319	34840	39196	28718	28952	29174	27919	29119	27885	27538	25731	29701	34597	28586	12562	43029	19041	55516	42722	52091	49333	24173	34613	31884	32511	33462	1	16871	16117	26931	27290	33693	28913	38171	36615	32463	1	26883	29629	32996	30865	32852	1	13205	23134	29121	30046	24550	26405	23283	28995	35422	32953	21684	15820	29008	33000	35339	35198	1	28143	27866	23218	32255	48108	29326	34578	49057	47182	45894	40789	42073	31457	48261	1	42053	45153	37733	42985	46801	52397	53325	47593	43122	41186	38172	40403	49446	51749	41211	1	38034	36890	40498	36998	40721	35932	51006	48224	49750	41582	36416	35579	1	31019	41928	1	45242	41158	30564	51102	38821	40013
289.1201@2.1599107	1	1	1	1	1	1	1	1	1	6855	1	1	1	1	1	1	1	6241	4710	5158	8092	7579	1	1	1	1	4560	1	1	1	1	1	1	1	1	7783	9422	8560	1	7219	1	1	7292	1	1	1	16053	1	20257	1	27727	22934	1	19830	8143	1	1	11097	4637	1	5923	1	1	1	1	1	1	1	1	1	1	1	9001	1	1	1	1	9619	7554	6526	5922	1	8537	1	1	1	1	1	1	8710	1	1	1	1	1	1	12136	1	14739	1	12038	10281	1	8287	1	13193	13564	1	12724	12500	1	1	18720	1	1	1	1	1	1	1	8022	1	1	1	32332	31742	35541	1	1	1	1	1	1	1	1	6853	10845	8938	1	1	1	1	1	1
290.1167@2.1604943	1	1	1	1	1	33522	27282	3374	30404	1	1	1	1	1	50630	1	31627	28684	1	1	1	30640	1	1	32307	1	1	1	18406	17760	1	43634	1	41452	1	29990	38499	1	39389	36577	26813	31265	3339	34061	1	43863	1	1	94667	1	20099	1	9852	11031	6600	7697	1	1	18208	1	25401	23614	25250	24599	1	1	1	52535	1	28243	31649	28455	36289	37715	1	1	6064	39919	11455	27108	30690	35510	45358	1	1	1	1	37443	41073	1	28752	1	34591	1	3720	102758	1	1	1	73121	56600	41277	46443	1	14317	1	21438	36127	45155	23074	1	7026	12103	14546	40726	1	34989	35050	1	77490	1	40639	1	1	108268	1	111292	119416	29929	15671	1	61680	31982	1	31917	6239	39263	34345	1	18615	1	1	1	1
333.1271@2.1586666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6325	6189	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11776	12609	10626	10032	1	8097	8782	8464	1	1	1	1	1	4548	1	9617	1	10204	1	1
378.1306@2.155778	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6672	7296	1	6029	5142	1	3650	1	1	1	1	1	1	1	1	1	1	1	1	1	4794	1	1	1	1	7032	1	1	1	1	1	1	1	6785	6481	1	1	1
C13 H15 Cl O2 S	7511	8897	1	1	8978	8139	14291	12337	11375	14775	1	12546	10276	10977	9576	9784	8117	1	8571	8957	10125	1	9297	8812	1	1	7240	7587	1	8808	1	15686	13416	13010	1	1	9639	10408	9191	1	9211	1	8878	7708	11636	11703	14587	15770	18105	17819	16656	14177	12141	9639	1	8014	10402	1	1	1	1	1	1	1	13235	11737	9374	9494	1	8295	1	9266	10768	10602	1	1	1	1	1	1	8027	1	1	1	1	1	9726	6566	1	9175	1	1	1	1	15214	16259	1	1	1	14477	18364	17186	1	13601	18120	17904	14449	15742	1	16381	17341	15010	1	17738	1	1	11898	9548	15801	17267	12074	11720	1	13442	1	1	9940	10929	14628	18474	17886	18153	16034	13048	9570	12349	18996	17389	19217	18650	23666	21477	16231	14004
200.045@2.1649435	131946	145334	112612	108840	110046	136275	115675	135070	145722	140459	165501	1	1	216346	244077	236743	153837	143564	140080	140610	159962	166381	179123	165324	169482	160277	107881	105315	119214	105273	202236	218855	186137	200081	185005	188840	168677	162906	162426	159201	146688	155603	171042	191780	200108	174019	234013	249697	238304	270713	269477	1	236596	1	189868	199111	214804	197599	108761	105571	111365	1	143521	97105	207875	1	189759	184343	146419	175728	125189	122030	159636	179826	132067	120352	1	132845	104918	93136	142019	154892	165009	165352	169493	206530	139030	136595	166509	160584	125651	1	104960	125670	260661	252845	178196	175112	207860	1	159569	143494	156043	163054	193977	1	170139	170434	1	153906	1	192905	1	226838	1	151920	1	1	217360	231764	167653	174863	167279	198089	150224	151863	209569	198708	196896	191839	190433	199007	159345	159601	146635	125469	130915	133660	178184	1	212103	221086	1	149428
190.065@2.1628664	34457	1	1	1	1	1	1	1	41624	46156	43028	47287	1	1	1	49609	33096	1	1	26282	41321	20507	25389	37463	38083	34391	1	1	1	1	23830	1	46602	51214	35659	26889	1	1	1	16105	1	1	1	17191	1	20430	1	1	43986	78080	1	1	32024	63360	39281	41992	22170	42926	1	1	1	1	1	1	1	36761	1	45469	13554	39040	1	33839	41843	30304	1	14546	1	1	1	1	1	1	1	1	47396	39895	1	1	1	1	1	1	1	1	80967	42567	1	28064	35609	70495	29503	1	1	1	1	58916	1	31981	1	47949	44883	37514	75437	39552	45505	26852	40171	36425	40987	75727	1	1	27723	42471	1	1	1	1	1	1	1	1	45649	20959	1	1	1	1	1	76432	87451	1	66044	65346
C5 H13 N5 O2 S	14847	15845	9753	9935	11683	13310	14975	15155	17561	17512	18640	1	18914	19844	18911	20836	13126	13229	10662	10933	14719	16406	13871	13290	14058	14403	1	9128	9272	1	21199	21454	17467	18347	12934	14013	15161	1	13403	13291	12707	12334	15008	15146	17404	17696	23924	26772	23634	26628	25612	24267	22579	19587	14822	1	14676	16043	1	1	10165	9614	1	10131	18694	18886	17337	16575	11286	12994	12673	12356	15915	16071	9951	9165	10856	12805	9349	1	11916	11352	13780	13218	16332	17498	12306	1	15181	15085	9518	10260	9754	9235	23625	25657	14418	15160	20587	20126	17051	15203	8954	14237	17842	17295	14480	15095	1	14651	19272	19953	17479	21644	13894	13134	13100	12399	21438	23173	18487	1	15763	14674	14358	15287	15556	16333	19570	20143	22078	18474	16936	16022	13595	1	16396	15608	21066	1	24826	26030	24539	22561
208.0753@2.16326	90106	100620	52305	63070	80380	26932	82668	96508	101120	113204	111723	120579	126141	133249	104187	120449	76587	95126	82468	78690	106304	104210	99986	99654	100536	95823	62204	62906	51328	66181	109234	152091	94997	102421	99126	78728	98298	96332	94175	90748	88590	75270	101444	82370	128297	94550	171672	73044	146999	147202	148538	173793	123414	122666	108361	89405	93292	122621	62424	47695	56721	67746	85560	59038	147769	136852	110834	121040	80471	76536	90887	82069	107209	114946	51921	48015	79685	86661	61404	58887	85953	94638	107457	97350	119796	112146	66010	91111	111586	80662	53879	49527	65575	70416	140974	140537	114659	88619	155482	121572	88447	107416	117870	41474	102178	135716	111929	90716	106622	96498	153103	139958	127883	125129	77222	68383	92764	77274	127447	126864	93281	115471	86211	92828	93285	1	1	82219	140144	136111	134277	142984	117589	116168	90245	85128	95232	97032	164856	164155	185962	190277	172038	167082
304.0185@2.1618075	21673	28153	19780	38092	32150	43384	24388	17559	21189	27263	37295	1	1	26303	19557	46859	19009	1	1	1	1	19111	1	48984	43993	37532	1	26371	1	20708	48238	19744	40549	50445	48440	41117	52671	49283	51906	45297	43783	31821	43724	1	34284	1	1	58238	67942	1	57398	81189	72580	86145	49735	61920	42687	61038	1	1	34444	1	44654	1	1	49614	1	55498	40382	47057	38806	45850	41589	39253	39717	16164	1	55782	46814	21771	43738	31083	50833	53903	59991	25193	47361	43701	33910	20997	1	29208	49731	33702	74330	66997	49520	60131	55317	36468	53837	35049	43547	33267	1	1	1	47909	35944	46162	52268	14069	68951	42696	45665	44755	1	35417	55474	61643	1	43007	1	39575	1	15909	65486	1	34008	62616	34581	1	46058	36471	36784	38605	1	1	22042	1	1	41931	57560	1
118.0632@2.1690414	1	1	1	1	1	1	1	1	1	3845	1	1	1	1	1	1	8017	1	1	1	1	1	1	1	1	1	1	4451	1	1	1	1	5109	1	1	1	1	1	1	1	1	9657	1	1	1	1	8919	1	1	4574	1	9244	1	1	1	10653	1	9658	1	1	1	1	1	1	1	1	1	1	1	4525	1	1	1	1	1	4718	1	1	1	1	1	1	11912	1	5884	1	1	4683	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8927	12718	1	11780	16991	1	1	1	1	1	1	1	1	1	8965	1	1	7830	1	61039	1	1	1	1	1	1	10377	1	1	1	1	12603	1	1	1	1	1	1	1
276.0717@2.15015	1	1	1	1	1	1	1	1	32239	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25096	1	27900	24159	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13658	1	1	3227	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	34055	9384	1	1	1	1	1	1	1	1	1	1	1	1	15932	23607	17095	1	1	7849	1	1	1	1	1	1	1	1	1	1	1	46896	1	1	18611	11347	11830	1	4615	1	1	1	1	1	40288	1	3642	45631	1	1	1	1	1	1
958.9772@2.2244644	16817	5627	1	8676	8512	1	63851	36220	21651	12143	23746	1	1	1	1	1	1	19812	1	1	1	1	10961	23557	1	18247	1	22175	1	10154	12614	9249	16678	1	24275	1	34304	16924	17708	17041	1	15746	11283	17173	18443	12822	24576	1	1	1	16488	1	1	1	17551	14543	9948	1	1	1	1	9546	26495	1	1	1	17622	29999	1	17828	1	8546	10860	10449	35853	1	27482	29774	1	15257	12614	1	30483	21282	1	24494	1	1	1	1	1	1	30039	10783	1	1	36199	1	18635	18866	18355	18039	23883	8052	1	1	1	1	1	13213	13613	1	21160	9163	1	1	13314	1	1	12050	1	1	1	1	1	1	1	1	12887	1	1	19261	28218	21682	1	1	1	1	11968	1	1	1	16639	13710
206.0219@2.1755002	7019	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9731	1	19262	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6347	1	1	1	1	1	1	1	1	1	1	1	1	1	5165	1	9202	1	1	1	1	1	1	1	1	1	1	1	1	1	1	25560	1	18978	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10010	1	1	1	1	1	1	1	1	14096	1	1	1	1	1
231.0763@2.1729445	1	4469	1	3368	1	1	1	1	5907	1	5722	1	1	1	1	1	5308	1	1	1	1	5449	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4073	1	1	1	1	1	4788	1	1	1	1	1	1	6015	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4945	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6681	1	1	1	4267	1	1	1	1	1	1	1	1	1	1	1	7462	1	20063	1	24711	1	1	1	1	1	1	1	1	1	1	1	1	6017	1	1	1	37780	1	1	12173	1	1	1	1	1	1	1	1	1	1	1	1	1	1
234.0165@2.232073	1	1	1	3363	9863	9074	1	16457	35169	1	1	16038	16057	1	1	1	7987	1	1	10466	17217	1	1	7379	5697	1	1	19454	1	23541	31304	20311	1	1	28914	29475	17021	1	6705	14463	14710	14715	20657	4041	3972	9948	1	1	1	1	1	1	1	1	1	1	10181	1	7269	12313	10130	1	1	1	14899	7380	11291	1	1	26751	1	16174	21451	1	2519	1	8793	1	1	7072	6903	14720	1	1	1	13910	5093	21206	12522	12955	13838	10638	1	10563	10095	1	20329	6906	1	17494	1	1	1	1	1	4851	1	1	1	11735	1	1	1	1	1	1	31308	1	22767	1	1	1	17722	10517	1	9289	1	1	7477	30625	1	61396	1	1	1	1	1	1	1	1	13112	32505	18398	20780
265.9902@2.2460573	1	1	1	1	1	3619	1	1	1	1	1	6252	1	1	1	1	1	1	7408	6974	1	7412	1	1	1	1	4294	10892	6669	1	1	10950	1	1	6271	1	1	1	1	1	1	1	5817	1	1	1	1	1	1	4123	1	1	1	1	4176	1	1	1	10252	1	1	4758	1	5181	1	5494	7523	1	6411	1	4194	1	1	5928	5506	1	1	1	3696	1	1	1	4787	1	1	6712	1	1	1	1	1	1	1	1	1	4049	1	1	1	1	1	1	1	1	4106	5463	1	1	1	3920	1	1	4183	1	1	1	1	1	1	1	6602	1	1	1	1	1	1	1	1	1	7447	1	7234	1	1	1	1	1	5024	1	1	1	1	5006
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654.3069@2.4860694	4824	4282	22952	14683	26288	19638	7246	7631	28542	28334	12380	12238	42214	40422	21608	29376	8436	6639	40339	43258	9227	8721	5775	1	42024	43634	13072	10847	10870	10566	9116	8264	11317	17545	7210	7242	38954	39828	6379	5054	28455	27612	35601	34802	17767	18327	50498	48123	48715	39139	25163	23855	41881	58399	28913	35591	7900	8298	15441	15731	11481	11676	15559	16638	24015	21631	13750	15448	25241	24978	19433	15941	15525	12339	14785	14986	8717	9664	13118	14904	18015	21533	8793	6841	20053	14422	29213	23936	9921	10122	16058	13579	11934	9664	24514	24766	16448	14286	22650	23065	14081	11000	20816	18132	12271	11737	88057	107287	8015	8673	29021	31475	11315	10163	67152	63170	10290	11054	9917	9294	87621	88557	12883	14036	25064	25288	122927	126365	6520	7039	47881	45895	47474	46430	48462	50179	22471	17638	5939	6429	23742	22161	8354	7857
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192.824@2.4728851	1	1	1	269783	1	1	193583	243566	282224	135942	228058	231335	114925	1	1	1	101595	1	111656	246606	1	1	168852	1	170668	207024	238142	239697	1	210960	235270	101635	239513	1	223444	203996	183956	230976	144949	184661	1	193689	230151	123638	1	222535	207206	263774	1	1	133821	1	1	1	212868	1	286076	1	1	1	195761	78633	171773	1	1	244564	168523	66747	1	177214	203812	1	1	1	162828	221348	61300	175354	151304	187782	1	129987	200694	177977	1	1	1	1	1	1	205270	1	289397	1	1	1	165149	59523	1	98983	270958	205681	198973	184996	1	1	1	161409	167327	157715	178884	1	1	220992	76343	1	1	1	1	240109	127847	1	245125	100801	1	1	1	1	172633	1	1	1	245099	156691	1	1	114865	1	171027	1	1	146343	1	172229
202.0342@2.5032	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9738	1	1	8592	1	1	1	1	1	1	1	7028	1	1	1	1	1	1	1	1	1	1	1	1	8407	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16344	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
218.0225@2.5062594	1	1	1	1	1	1	1	1	1	14185	14595	1	15343	1	23611	11742	1	1	1	1	1	15571	6103	1	1	1	1	11532	10912	1	1	1	1	25449	1	13043	23353	21067	1	1	1	16021	1	1	1	1	18973	13052	1	1	1	1	1	21096	20845	19346	1	17557	13487	10269	1	15398	1	1	1	1	13668	1	23836	1	18011	1	1	1	1	24265	19568	1	1	1	1	12607	1	1	1	1	22245	1	20378	18260	1	1	1	1	1	58215	1	25464	20299	1	1	30399	1	1	41695	1	1	1	83618	28654	1	1	24812	1	1	25162	22613	57900	1	1	1	1	27404	1	16266	1	22777	1	1	1	16818	30132	61118	42351	38989	1	1	1	47401	19797	1	1	1	20766
736.4612@2.499617	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2379	1	1	1	1	1	4363	1	1	4055	1	1	4797	1	1	6820	4624	1	1	1	4593	1	1	1	1	1	1	1	1	5175	5911	1	6459	1	1	1	1	1	3040	3071	1	1	5818	1	1	1	1	1	1	3993	1	1	1	1	5307	6365	5876	1	4120	4620	1	1	4239	1	1	1	1	1	1	4281	3455	1	6072	1	1	1	1	1	1	1	1	1	1	1	2932	2556	1	1	1	1	1	5189	1	1	4813	1	1	1	1	1	5231	1	1	1	3928	1	1	1	1	1	2536	1	1	1	4421	3816	5055	5939	1
1056.904@2.5040245	7188	6919	1	1	1	27045	11618	1	30727	37470	1	6464	8448	7512	13567	1	9732	13763	10919	10958	11162	1	1	14225	1	1	15640	1	6913	1	6822	1	13492	1	1	10528	1	14944	6494	11294	4888	1	13435	10078	10670	1	8529	1	1	7538	1	1	1	9925	1	6294	1	1	4333	7553	1	25381	7651	20009	6033	7618	15988	10393	1	1	1	1	1	8681	18875	12764	1	9884	1	11677	1	1	1	7528	10343	3674	12107	10465	1	1	1	12515	8261	12843	1	1	4684	9886	1	1	1	1	1	10840	1	8929	1	1	6300	8025	12194	1	1	13365	7935	1	14088	7921	1	15634	9463	5992	6195	1	4955	11979	1	1	1	1	1	1	1	1	5557	4694	10785	7507	5356	6193	1	4136	12006	9837
298.1598@2.4967144	1	1	1	1	1	1	1	1	1	1	1	1	1	5477	1	1	1	5614	1	4574	5362	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9405	1	1	1	10474	1	1	5757	1	1	1	1	1	10861	1	1	1	8671	1	6703	1	1	10617	1	1	1	1	1	1	1	1	1	1	1	4241	5618	1	8407	1	1	7893	1	1	1	1	5130	1	1	7952	1	1	1	1	1	1	1	1	6314	5551	5964	4936	1	1	1	1	1	1	1	10203	1	8942	1	1	1	12077	1	1	1	1	1	1	1	1	12526	1	1	1	1	8361	1	1	1	1	1	1	1	1	8183	1	4423	1	1	1
326.1907@2.5013247	27666	1	35968	48914	38886	1	40450	1	42511	23638	1	1	25856	25573	35275	55625	57298	53493	48937	1	52715	29987	28504	1	64325	29379	26305	25338	59071	30136	41331	56662	64185	45968	57531	31262	46774	52380	54773	65282	25768	58464	60706	29379	40593	57603	62373	23774	74108	68054	1	1	23424	51373	63421	31131	63567	1	1	61728	61660	1	71856	69870	57541	1	62454	67860	26476	21046	92688	51167	52702	34092	1	1	1	16334	1	62913	62797	50991	45791	59994	65767	84625	61504	51322	1	29179	64860	39075	57071	33500	1	56140	45720	1	58245	62693	51518	55323	48466	72855	39240	1	21717	26691	50677	49360	37101	1	49440	58864	68556	60557	1	58749	82600	1	51582	1	58927	1	57243	51658	74459	1	1	56969	66345	34074	1	48238	46964	62412	25255	43548	1	36417	1	40394	1	1
340.2062@2.4995553	37809	38288	60393	41471	69431	50190	23477	62524	37840	19830	64320	66656	67267	1	62660	56560	65374	91083	61880	45313	24741	81576	29784	16943	80740	1	77963	1	88386	1	81642	1	65778	48021	85529	35274	66892	40238	68755	85463	35159	68577	1	52980	65160	88891	73055	77263	81476	72736	1	46317	92947	30879	80088	74722	83960	34819	61660	79789	1	1	32363	57110	42987	55976	64235	74581	50033	79212	89430	41728	72065	77462	19595	44558	36044	65138	85751	92110	107402	81312	92995	90266	106758	102293	1	74206	95049	85481	74646	104457	72242	95375	88189	63451	66814	74893	46172	109509	59978	38350	68629	55570	1	1	107595	69178	78952	83815	1	56164	35145	108304	46637	1	40234	75172	100800	1	48143	66974	63337	98225	91122	90583	81364	80065	74688	72527	70588	1	56405	62892	34950	24027	47053	1	65722	1	78769	74917	66223	25733
300.8362@2.5514503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6800	1	1	1	1	1	1	1	1	1	1	1	1	1	9162	1	1	11276	7670	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8010	1	1	11165	1	1	5803	4494	1	1	9904	1	14848	1	1	1	13213	8505	1	3652	5374	9319	1	5523	1	1	4969	1	5389	7682	1	1	1	19651	1	1	13464	1	1	1	1	1	1	13228	1	5763	7321	9394	1	8733	4995	1	6276	1	1	1	1	1	1	1	1	1	5512	1	4935	1	6296	13005	9122	1	1	1	10646	1	1	5138	1	1	15174	12998	1	5566	1	14342	1	1	24097
219.1104@2.5131824	1	1	1	15680	31695	31843	13936	28039	14319	1	22083	9987	1	5287	17484	26873	49609	54996	54438	59881	1	19009	16905	1	17025	22874	17835	10742	19422	1	1	16713	36908	94490	85889	90506	1	70106	69882	67307	39177	40304	41619	46971	89368	79500	98321	40335	47544	110671	1	21185	1	31526	29083	21046	24609	12596	23068	25652	56378	1	75073	75465	1	23080	27896	16694	169703	175228	143703	53621	16290	1	1	1	8558	8812	1	20742	56978	53724	32268	47162	1	10700	15962	18133	1	13855	53990	1	50925	57409	21773	1	37691	53919	38368	20659	1	65817	75253	67684	12706	1	1	1	35006	31803	36928	36974	26993	31449	60137	60776	31249	74808	1	12510	46143	43801	29838	22720	32732	1	8201	1	1	28193	17494	1	1	1	1	122819	127961	105999	22600	13277	65879	37327	32826	30315
263.8631@2.5181	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4890	3580	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3247	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2835	1	1	1	1	1	1	1	1	1	1	1	1	4383	1	1	1	1	4817	1	1	1	5050	5286	1	1	1	1	1	1	1	1	1	1	5384	1	1	1	1	1	1	5253	1	1	1	1	1	1
198.815@2.6066842	1	62775	1	1	1	1	1	1	1	1	1	36788	1	1	66140	1	1	1	1	1	1	1	1	1	1	1	238296	134718	1	1	1	1	1	1	103357	1	1	1	1	73564	1	1	1	100773	1	1	1	188693	1	1	1	96107	1	101881	1	1	132164	1	1	1	1	1	155663	84962	1	1	1	1	1	1	86064	1	1	1	1	1	1	1	1	1	1	1	1	1	1	245609	1	1	100169	1	1	97814	1	99976	1	155448	1	136175	1	1	1	1	1	113369	140610	1	1	1	101989	100585	91692	1	1	95922	1	1	1	1	162895	1	1	1	1	1	1	201966	128996	95638	85859	283360	170806	1	1	1	1	184985	125651	1	1	147070	93884	1	1	1
513.2742@2.5540001	1	1	10344	37204	1	1	33657	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15399	6949	8169	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
162.9428@2.557	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5295	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1056.9045@2.5459063	1	1	1	1	1	6674	21133	15151	5105	1	1	8987	1	24073	1	16240	1	1	9945	1	1	1	1	3964	1	1	1	1	1	6392	1	1	7526	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13053	6580	1	1	1	1	11560	1	1	9998	1	1	1	17923	1	1	1	1	1	1	1	2375	1	1	1	1	1	1	1	1	1	9222	1	1	1	1	9399	1	1	1	1	1	1	1	1	12930	1	8670	1	1	1	7651	1	1	1	1	1	1	11231	10944	4041	1	1	1	1	1	10978	1	4503	1	5546	1	1	6654	1	11413	1	1	1	1	1	1	8050	1	1	1	11201	1	1	1	1	1	1	1	1
3-keto valeric acid	1	1	22838	1	1	1	1	1	1	1	1	1	1	17613	36657	38320	1	1	48989	53005	1	1	1	1	1	1	1	1	30496	1	1	1	38333	1	1	1	48715	1	35934	1	36555	43819	16705	1	48889	44464	39295	42395	1	38251	51794	46625	1	44823	1	39436	1	42841	1	1	23030	1	45884	1	32283	1	35779	36942	1	1	24577	1	1	1	1	1	1	45526	22616	1	30420	1	1	1	1	1	1	41983	37588	1	1	1	1	32985	1	42378	29944	31766	34176	38974	46289	41015	39506	1	51239	52612	1	1	57225	43845	1	33187	57296	48893	48481	29353	33021	45978	62818	59098	36291	37084	1	32820	26141	49498	29854	44968	1	65553	62541	1	28998	1	49367	47563	40768	39296	1	38471	49545	48991	40934	47468
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386.123@2.822253	1	16429	10089	11392	16281	15429	14801	32290	11395	30296	12605	1	16910	11232	21163	15153	22408	1	19586	1	13818	27111	18952	1	1	1	19595	1	12359	12358	16606	32169	19214	13696	1	1	12522	15108	1	16366	1	17716	1	21265	11971	1	8487	20730	14041	1	11513	1	1	1	1	12726	1	1	10398	16555	9042	1	1	1	8141	17684	1	1	12818	16027	7386	9936	1	8727	9093	7884	1	16913	1	1	12788	20181	1	1	1	12102	1	12381	19734	20348	1	11980	13571	1	9556	13596	1	1	21015	1	10814	20670	19549	16925	17567	9032	33979	24045	10833	23560	11182	24123	13454	13619	1	12855	16521	13043	9084	10735	1	26560	19294	1	11344	1	20893	1	1	1	13948	1	1	16636	10512	25559	19279	1	1	18601	1	9653	1	1
Coformycin	1	1	8225	1	14297	1	21875	1	17410	1	1	1	20194	31834	1	38990	28949	1	1	25914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17481	17414	42946	1	23837	1	1	21995	1	1	27181	1	18614	1	24896	1	42157	1	1	35318	1	35156	1	19286	1	1	1	1	1	1	1	1	1	1	1	1	14739	1	1	1	1	7767	25834	21779	15061	13006	1	1	21233	1	1	15739	29205	28210	1	21477	20009	10626	1	1	1	13634	1	1	1	1	1	22351	1	1	13348	1	1	30851	24345	19244	1	28863	1	1	24487	28101	1	1	17282	1	15728	30862	1	1	13323	22074	1	22446	1	1	19756	1	15790	1	1	1	1	23972	1	1	27869	29047	1	1
168.9597@2.8434544	40889	1	41213	36082	1	45370	72247	49390	1	53087	56735	62111	78112	1	79617	40590	1	55948	38915	84131	1	111052	73288	89620	1	44023	74250	69819	1	70697	46047	31759	43383	47586	191460	62772	1	1	53135	43960	47718	97762	58945	1	1	1	46223	71496	74674	1	41524	1	87971	174858	1	1	1	1	1	33993	112001	1	98880	63034	34156	45364	121004	69023	38305	44825	1	141096	52493	41462	1	42021	96571	72932	1	41345	1	45205	58591	115614	77451	43134	42646	51190	60092	33743	1	93016	1	51140	1	1	64077	84754	87428	1	89834	90244	56264	107957	1	43008	88809	71740	1	46126	1	51847	1	1	1	1	1	55172	1	1	53326	1	80283	1	48185	39768	1	1	55131	100355	61104	51991	97013	59727	1	108351	44106	54700	46933	53834	42001	39518	42464	52379
283.0422@2.8675153	1	1	9791	15593	1	1	1	1	1	1	1	1	1	1	1	1	5940	1	1	1	1	12893	1	1	1	1	1	1	1	8667	10073	1	11334	1	1	1	9411	1	11673	1	1	1	1	1	1	1	8554	1	6093	1	13618	7393	1	1	7907	1	1	1	1	1	1	7455	1	1	1	1	1	1	1	1	7455	1	12701	1	12879	1	1	1	1	1	1	1	1	9097	5568	12370	8366	1	1	1	9564	1	1	1	1	1	6660	6394	1	16917	8602	1	1	1	8464	1	1	1	1	14800	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13699	14512	1	1	1	1	1	1	1	1	7563	9425
206.0603@2.8152523	20927	17668	28706	76094	1	72865	61550	36717	1	82310	47497	32918	44990	38881	1	22358	48467	28320	44439	54405	47202	40393	40561	87250	58199	43408	73408	29022	72640	34312	33895	65507	72470	1	25887	85823	103953	29109	53741	37698	32182	1	61908	82702	1	1	26127	1	1	112386	25333	49820	42441	56392	28084	1	84454	71871	53850	40718	30005	38425	48738	34031	87960	28566	25306	45008	47307	83421	127649	46241	59564	82360	39498	27554	98525	70700	44217	53911	43028	1	81659	84941	20818	86022	126965	71174	1	106063	34104	17558	36198	72411	1	27943	44233	19909	114220	73345	84360	64197	44201	59705	69992	82609	1	26981	81569	89127	29168	1	60750	60292	108475	91523	57778	72398	29320	55390	89283	1	143536	60049	1	1	24379	1	36109	100617	1	1	48366	1	1	40284	1	144129	89741	20411	43212	1	25389	71432
C18 H28 N5 O9 S2	1	1	6652	14169	18148	17724	10356	16001	18924	20171	15108	13910	13677	9810	19563	21179	16544	17173	12764	29889	1	1	14249	15981	20987	18437	1	12093	18479	22059	13847	19380	33135	33219	35136	16258	16405	14394	18483	18099	39620	38894	32300	33851	33772	30627	29868	30039	28845	29718	32690	31064	26015	27277	32203	32633	23277	22395	1	1	20505	18829	44084	50187	26677	27827	32894	35053	37734	36589	33553	30256	1	1	18466	19212	27011	29368	34479	27949	10760	30264	45020	44651	24699	32493	38335	40106	51037	54524	28934	27089	33683	33981	11428	11307	35607	35397	29755	31735	1	27805	44885	45847	1	1	46110	41689	54893	53674	27233	29300	62250	62344	32748	31505	41802	26166	9173	15558	40057	39070	47166	51174	49307	49331	38411	39447	53352	51313	60428	60357	9925	8781	54961	57018	57078	53222	36352	37309	44968	45469	10041	10148
Sophoracoumestan A	53885	52157	119992	120855	157299	163553	134355	134517	148983	149320	111640	117877	119843	124641	191879	201519	151736	169076	245013	251524	25500	16476	142675	135420	170743	159704	82994	83330	154650	156971	90765	134636	268609	248048	263593	259068	141076	144315	160106	159888	297048	295364	266048	287552	250767	246666	241616	240381	219787	230181	255086	244320	224155	216286	276842	284520	190890	194723	1	1	167740	184289	356693	355288	201745	205675	261856	254004	272135	265066	240061	241244	1	1	132668	136517	241906	245180	282816	282211	245595	251236	367703	355379	257966	269721	309899	309254	428007	432551	224305	213724	273117	271119	98914	101332	283426	298591	260644	240791	184507	185444	315800	343854	1	1	321492	319832	408140	381436	183339	186443	424182	438358	228539	237974	299868	302191	121812	122356	282233	273513	342760	336499	349444	350468	312474	311737	389528	378658	398089	398210	76360	75499	419397	412897	357017	358503	270074	265018	325806	330916	88142	93413
C43 H25 N7 O4	1	1	8538	8673	11007	12597	10597	1	12427	1	8411	9104	9381	8638	13708	16057	11016	11502	18915	19177	1	1	10959	10057	12671	11033	1	1	11396	12562	7819	11077	21484	22636	22079	21955	8841	8994	11929	12797	1	23849	19652	23943	21737	20902	18852	15713	19063	22011	20475	1	15968	12127	19868	22844	1	13844	1	1	12700	11572	29196	29884	17144	17887	20636	21111	22189	20628	19600	13169	1	1	8628	9039	16886	17166	22259	20460	19092	18923	30614	27594	19633	19256	24074	25379	33191	34035	16584	19597	20904	21245	7055	7389	23330	16437	20467	23610	17376	16564	28373	24818	1	1	28599	29904	36557	32717	14356	14043	38721	37695	22168	9365	26009	27669	10244	9445	27111	23963	29663	29667	30531	30646	25989	25643	36872	34321	36409	39020	5776	1	1	34696	36223	36436	19650	18279	30175	31282	1	1
181.0674@2.8754876	9394	1	41423	8525	1	1	1	1	1	1	1	12598	1	1	80159	1	1	15193	1	1	1	1	1	1	1	1	62410	1	1	1	1	99216	19563	1	14656	1	1	1	1	1	1	1	1	1	25199	1	108507	20865	1	1	93580	1	1	1	1	1	23098	1	1	9802	1	1	1	6469	1	1	1	1	50450	1	1	46375	42910	1	1	1	1	1	1	1	1	1	13706	1	129302	1	72444	1	11628	1	1	1	1	1	1	1	1	16957	74556	1	1	12342	1	1	13036	16505	101528	20686	1	172983	1	1	1	1	24585	1	52091	1	1	1	1	1	87515	163305	1	1	1	1	62597	1	1	1	13506	59032	1	15888	1	1	12631	1	1	1	1	1
264.9571@2.8779585	11762	1	22956	12044	22779	1	16894	1	12049	11194	6350	8189	17839	12871	19289	14714	12283	11183	12553	30656	11652	15968	15698	11480	25141	26369	18065	1	14148	20535	17995	16728	13522	17946	9363	1	20465	1	22109	22827	7754	23773	10720	1	16799	22580	18381	39891	24227	26288	12421	1	18618	1	11762	1	1	21608	11329	1	1	8937	15095	10190	14587	15960	12477	9426	1	13556	7499	10143	21187	7354	8995	5231	1	10067	8192	11418	14748	6377	12616	11699	12736	20269	17050	10656	1	12938	20488	10458	5959	14762	23862	11083	14327	28480	1	10542	11398	1	16569	22439	19659	16221	13954	1	19705	6584	12047	17294	1	11693	14834	1	24089	21561	9181	20437	6820	16185	12267	13360	8969	7106	15072	14089	16503	9106	1	15540	10067	11393	19008	12145	1	21990	13709	18762	1	13212	12693	17242
597.0923@2.9398348	1	7554	9995	5877	6541	1	1	9424	1	7868	14583	10030	11232	11299	10825	8583	8918	1	1	1	1	3336	10976	5421	5321	1	1	6449	7515	8170	7527	1	6363	7463	5191	10630	13530	4785	1	10604	1	5158	7795	4072	4562	1	1	1	7134	10928	1	9338	9649	1	3860	9183	1	1	8536	1	1	9572	1	4529	4910	1	7893	1	1	1	6933	3189	1	1	1	1	3491	1	1	1	10224	4720	6915	9209	1	8837	1	9338	1	8029	1	1	7778	8187	1	7045	9621	4641	1	1	2993	1	1	4610	6895	3728	4246	7372	1	7369	1	7497	8817	7721	1	8225	1	6890	1	1	7625	1	1	5389	4653	8011	7116	1	7196	1	6941	1	1	1	5718	1	5598	5261	4877	3666	4906	7247	7609	1
180.064@2.857563	64296	119477	1	2607	74359	110647	3552336	2705523	708092	1388937	1323886	298971	169856	4120848	1	6224783	1	254779	1	277510	374378	1	462738	130618	5606106	6444	3193345	201159	206545	6008382	1	5941226	3022071	230192	6516122	6667539	303597	1	4291	79134	5225709	3486	138571	378436	3817341	6824255	1	1	538783	1	1	111112	1	270495	1	1	3981524	121988	111312	283426	314560	1	651663	1	1	5211	3780633	2871705	2647602	273557	1	1	117012	10187	207078	55217	75395	1	3092408	1713775	6960295	845265	179173	1	1	5183609	3630616	195937	1	187681	993181	1	236898	1	135701	1	1	14681	369263	138834	7144171	215639	4351891	128886	528723	156299	1	176445	165380	127114	127201	1	1	1	252519	6932880	1	464766	3514367	7121688	253378	123919	1	5773857	272448	329108	1	1	1	1	1	277518	313033	1	284856	1	484444	463797	16426	100847	3831714	1	5712605	112079
897.5922@2.8643112	1	1	1	1	1	1	28381	1	1	1	1	53671	57898	1	1	1	1	1	1	1	54713	1	1	1	1	1	1	58639	1	1	41410	1	1	1	1	1	29801	1	18105	1	44301	37432	17585	25708	1	1	1	1	31513	1	43926	55493	1	1	1	1	1	1	1	1	1	48314	1	44301	1	1	51962	1	1	1	44370	53043	1	1	1	1	1	1	33509	33329	41565	1	1	1	49088	16009	42297	43900	17967	1	41428	39210	43298	1	1	1	35063	1	35852	45861	40227	23667	35935	36609	38295	34670	1	1	20615	20322	30901	1	39285	37116	1	1	26646	1	55275	1	54673	1	42114	43591	1	25266	1	21734	1	1	42876	1	1	1	1	1	1	1	25132	25628	40346	1	13574	40845
228.9805@2.822747	6950	63609	12337	1	18680	39428	1	1	4143	1	84455	18174	1	10321	1	31931	41569	16596	1	1	1	9647	85103	1	1	1	4862	9643	15129	33550	1	43415	40816	1	1	5353	16012	1	9799	1	26176	1	5109	1	1	1	12562	21756	11662	1	74622	1	1	24328	1	1	7595	89761	1	12222	1	1	40617	3562	24439	1	58609	31909	22023	1	21102	7319	73199	4876	57922	12147	49527	10916	10992	1	7187	19030	44028	1	1	4560	5933	1	1	4227	6021	1	1	8458	1	10466	1	12146	10602	1	97746	1	1	4619	33086	1	4113	1	1	18676	14210	1	71517	41238	19291	1	1	1	1	8169	1	1	1	17717	1	1	1	1	78626	1	1	5294	1	1	4763	1	18977	1	1	10296	20485	27665	21720	48974
578.1434@2.8134708	1	1	1	1	10878	1	1	1	6417	1	1	1	1	11082	1	7803	1	1	6190	1	1	8601	1	3387	1	1	1	1	1	6594	1	1	6835	4804	1	5392	1	1	1	1	1	1	1	7256	1	1	1	6508	1	14231	1	6040	1	1	1	1	1	1	1	1	6049	6111	1	1	1	1	1	6442	7367	1	8405	8057	9855	1	1	1	1	5957	1	5595	1	1	1	12020	1	1	1	1	12548	7621	5966	6703	1	1	1	1	1	1	6130	7177	5657	19710	1	6096	12353	8512	1	1	17073	7964	1	9275	14168	1	1	1	1	1	1	1	1	6540	11193	1	12860	14510	5745	1	7923	1	7757	9297	1	1	1	1	13101	1	34201	15290	5964	1	1	8164
426.1537@2.9188232	1	1	1	7161	11482	1	19168	27910	1	1	30950	35610	5702	1	11351	15291	49930	59170	1	1	13450	5123	1	1	1	1	1	24266	19597	15505	1	1	1	8128	11305	16099	1	5836	15008	14879	4388	1	1	1	1	1	1	1	1	1	1	16665	7642	1	1	1	12605	1	1	1	71042	20594	1	1	1	1	6099	1	8644	6826	7169	1	1	1	7748	5273	13805	21966	1	10520	1	1	1	1	1	1	1	25810	1	24552	1	11570	7018	9653	6341	3432	6065	4962	1	1	35311	1	12439	22504	21936	16880	1	1	16645	15653	7537	1	1	1	1	1	43127	46373	14320	6616	9209	1	18878	87688	22415	23725	1	1	1	1	66806	38881	1	12377	1	1	1	1	1	1	1	1	4102	4319
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368.1135@2.955893	1	986982	1501301	1024626	1614208	1525430	496799	1535090	2126299	343140	709765	1	1459369	1604908	501325	1923097	1608103	1198361	1638978	1	461128	1390927	601936	1601611	524646	1088479	1359725	2174946	1	2162222	1	1851792	359010	1	1611682	1778935	412527	615895	3016974	2400325	1	2859697	2011065	1922845	11520	2305823	2683010	2252090	1	1338665	2610204	309989	1	1741056	1	1565423	1	1	754421	1242276	1	1942721	2047468	1	1770348	1997347	1504306	1500567	556952	467725	1	1	2222014	1707265	1603821	1327296	1740359	1754723	2085375	1422920	1694856	728922	1768846	1552661	963815	995292	1	1699364	1104545	1	1	1726412	1815540	1	408283	411010	819640	1	513852	1568479	400501	2582950	1987806	1880969	387632	1	2120176	594965	311035	2683449	1	2105412	1589696	270284	1767932	2195307	9337	1754835	494685	2109282	2250929	554878	1544074	1	1	2147116	651635	641489	1981294	1	2478013	1	1	1	2385003	1	1	1687426	1827686	2582938	1	1813283	1977434	1752928
535.2568@2.9285722	44599	45773	68402	69330	9917	11990	97022	97846	1	58770	22181	16055	1	1	1	8920	46882	56624	17746	18113	13250	1	16392	21032	1	21393	20883	25768	15950	8787	14762	1	63750	66106	35846	38200	57788	58124	49109	50614	10746	14110	15131	15292	6782	1	28115	27598	14817	26503	1	23852	18103	24496	93065	90903	63092	66096	68522	64072	10919	9904	19117	19531	1	65549	85120	88652	24747	24070	21787	54010	74077	77571	4516	1	17976	17114	17587	12783	99189	95826	159562	153189	59370	61614	30779	25275	60600	54903	6946	1	4122	6254	62174	42405	66863	67297	1	20000	1	1	1	1	1	1	10292	22800	13176	13444	22551	17495	12566	1	28404	26456	17073	20581	31514	30086	24763	1	7257	1	13198	15639	67232	67343	5678	7181	6629	6180	9658	1	23574	26555	10904	11024	11136	9179	1	1	1	1
386.1231@2.9237816	1	1	17786	12784	1	1	1	11282	20629	15528	13020	1	1	1	1	12338	1	1	7771	1	12606	1	14370	7724	1	1	1	1	1	1	11236	11675	1	1	1	14871	18424	1	1	12000	1	8954	1	1	1	13441	1	22594	1	1	1	1	1	8215	1	1	1	1	8458	1	1	1	1	1	1	6328	1	1	11265	7584	18425	1	1	10128	7793	1	1	1	1	1	1	12187	1	1	1	1	1	1	18907	1	8407	1	9825	17910	1	1	8994	1	11131	1	14656	13705	10172	11088	12681	1	1	11392	16460	23431	18747	1	1	1	1	11751	15900	11994	11278	19030	1	11251	16555	14197	12154	1	11556	12089	14460	20246	1	16811	1	1	1	14909	28256	16476	1	24184	1	22093	8350	20493
744.2117@2.931544	22132	21294	17683	16655	17025	22445	39038	30189	42013	39143	17563	27297	13188	18320	12536	26666	29299	22118	15521	16952	1	20095	13856	12849	25384	9303	12648	10642	22331	24035	15465	30384	25376	19983	18168	1	29866	31848	23351	28012	9476	14455	15529	23486	11986	18043	19002	19417	23957	24146	19427	25369	20797	14697	11472	29380	22304	18656	13702	9564	1	6812	23546	16458	13416	16504	18126	9018	8860	11849	17209	21024	22786	1	14191	7394	12418	15490	26142	15636	25786	15996	24171	21259	17063	13524	21726	18997	18350	23779	17363	18228	16326	12734	38834	21850	9445	8115	10285	34258	16272	1	21466	11796	16954	34929	18093	19466	21314	21006	30897	25182	19726	26431	20292	13781	23281	15120	30233	24241	37979	9898	25645	25322	9910	33641	16400	29170	25580	1	35087	32811	27307	30596	1	35662	43362	24550	14892	23944	11839	34797	15918	1
274.986@2.9407647	37874	64305	46405	207006	27767	52061	184318	105388	36457	58156	56849	298957	73388	39741	44043	32395	49470	58047	53945	83739	33140	19768	292935	45236	43472	52542	25261	126990	121118	250576	62544	235526	25366	29753	133240	47597	66077	33851	40300	43908	144870	146280	136385	153509	1	32668	63342	111054	212839	135876	1	47053	206006	119359	75237	230957	100730	58018	18429	367267	1	137839	290613	66492	55645	91459	273909	207605	83705	36932	181361	130599	27320	253537	184089	238691	79289	74582	44504	55167	257923	66537	39237	167167	165528	72146	35945	33675	35500	57315	38685	211416	64108	126900	22810	52895	56418	184898	59935	39731	24386	66561	129106	142275	42569	37358	90506	46255	29020	157813	255652	199641	152910	8634	39164	1	47047	42610	90128	90640	19516	275465	41203	311567	24839	21749	69800	18281	38560	100382	44481	185789	187626	41952	251482	170354	47193	19481	63965	146712	182139	48149	177246	23787
266.9561@2.9126194	1	9371	5294	4405	6605	1	1	1	1	5945	4870	1	4329	9429	1	5012	5172	1	1	7564	1	1	8244	1	1	1	4003	1	1	7752	1	9846	14075	12222	1	1	1	1	1	1	9460	1	1	7026	6539	1	1	1	1	1	1	1	12743	1	7494	1	7239	5879	8000	1	1	1	10307	11292	7792	14249	1	8716	6742	9524	1	12714	1	1	5940	1	14976	7195	5535	5679	1	1	1	1	10204	7402	12056	10022	1	1	1	1	1	1	1	12205	1	1	11185	7908	1	11873	1	1	5152	8724	8779	10178	1	9181	1	1	6684	1	1	16109	1	1	9451	1	1	1	1	14764	10687	10254	9469	7294	10792	10156	15361	1	4206	12114	7178	7936	9221	1	7901	1	9323	10547	1	10044
555.1645@2.95831	1	1	1	1	1	1	1	1	1	1	1	1	99483	1	1	1	1	95957	1	1	1	1	129875	1	1	1	1	1	1	86115	1	91259	98195	1	1	1	1	1	1	1	1	1	1	136802	81767	59680	1	105412	101495	139373	1	125128	1	1	1	1	80173	1	88894	74974	1	1	93221	1	1	1	1	1	109998	1	82584	1	1	95933	1	1	1	1	1	103506	1	88737	146344	1	128596	1	1	1	1	108398	1	1	135817	1	1	1	90370	1	1	48161	1	143267	1	1	80632	88558	1	1	110574	63580	126827	1	72553	1	1	211725	137841	1	1	1	1	1	1	1	96883	1	1	1	1	1	1	37579	1	121387	1	111427	1	1	107436	1	1	1	1	1
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C13 H17 Cl N4 O10 S2	11648	1	19429	1	1	16102	18292	16356	1	23893	14462	1	13836	1	24475	25511	19355	1	21618	26121	1	15537	14151	11990	15544	11688	13161	29097	1	1	8144	22705	1	1	24369	24902	21700	11413	1	1	16554	7581	1	1	15329	9937	1	1	22226	16386	15522	1	25181	13331	21220	23473	12642	1	12570	1	1	17740	23880	1	1	11577	1	1	18715	1	1	24211	11463	3908	12506	21653	1	22209	12339	16139	18625	1	21963	19526	12590	25290	23087	19150	1	1	18493	12164	1	1	7366	17126	14360	1	1	16483	16249	1	16499	11112	14893	1	1	5087	1	21333	1	1	1	1	1	1	17367	1	21265	14278	20436	1	14248	22444	1	1	20633	13312	30877	24579	16791	23143	10690	1	1	18152	24766	1	14531	13414	24347	17142	1	1
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C24 H30 N2 O5 S3	1	4485	1	1	1	1	1	1	1	9169	1	1	1	1	10563	9476	1	1	13562	13314	1	1	1	1	8741	9474	1	1	1	7607	9765	9651	1	17112	14156	14448	7256	1	1	1	15467	12621	9598	10462	12198	13184	12687	14144	12743	11813	14285	12830	10251	10423	14131	13032	8825	8059	1	1	10690	9211	10394	18767	9237	1	11588	11967	13602	14594	10878	11065	1	1	9415	9947	9855	10211	11309	12501	10175	13298	15835	14547	14062	12607	13300	14237	16074	18357	9760	8903	9642	10934	7276	6263	11843	12475	9653	8530	1	9046	13098	17016	1	1	13845	14008	14245	14498	8291	8011	18705	19683	10399	9005	10725	12754	6624	6100	12104	12280	13414	14910	15242	15053	12682	12373	15100	11536	14571	14377	1	1	14536	17546	12327	13126	10412	9549	13608	13322	1	1
492.9901@2.8969	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4745	1	1	1	1	1	2285	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5267	1	1	1	1	1	4149	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3516	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3485	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3046	1	1	1	1	1	1	1	1	6177	1	1	1	1	1	1	1	6246	1767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
464.0999@2.9007304	2825	1	6356	3683	3496	6828	4693	5037	1	1	1	1	3927	1	1	1	4275	1	8470	3460	6562	1	6771	3993	1	5864	1	1	1	3126	1	1	1	1	4747	1	1	10050	1	1	7328	1	1	1	1	1	4041	5102	1	1	7686	1	1	3165	1	1	1	1	1	1	1	1	1	4513	1	8703	1	1	1	3896	1	1	6434	9166	10015	7226	1	3996	3987	1	1	4363	1	1	4659	4127	1	1	1	8602	1	4638	4734	1	1	1	1	1	4564	4788	1	1	4895	3846	5871	5017	1	9191	1	7129	5007	5331	5391	1	1	1	1	1	5563	3795	1	1	1	6019	4458	3842	1	3454	5273	10756	1	1	1	9121	1	4677	1	4909	1	1	10723	3880	1	7873
392.0416@2.909188	1	1	1	2902	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4302	4676	1	1	1	1	1	1	1	3850	1	1	1	1	5792	1	10154	5675	1	1	1	1	1	1	1	1	1	1	1	6212	1	1	8286	1	1	1	1	1	1	1	4730	1	1	1	1	1	1	1	5456	1	1	1	1	1	1	1	1	1	11416	1	1	1	9229	1	1	1	1	4913	13058	12364	1	1	1	1	1	4739	1	1	18629	6812	1	1	5647	12295	1	1	3723	1	5311	13763	1	10323	4740	1	6138	16219	10164	14649	1	1	1	13650	1	1	1	1	1	4793	1	1
425.0386@2.9604344	1	186315	174071	35602	95957	55945	1	53075	53506	121154	1	1	1	1	128471	47767	1	1	1	1	1	1	1	1	121888	1	121558	188518	46807	1	138704	257383	78176	112952	144192	113120	1	54536	67127	97946	1	1	134631	71489	1	86564	177296	1	1	1	173210	99264	1	1	1	171372	129480	76637	97942	45996	48726	1	148499	53717	90460	173563	1	1	93541	113138	1	78564	173268	1	110092	1	124241	113875	154337	1	203563	1	1	152109	90759	1	159882	149441	179695	93386	1	101792	84112	149418	179415	116820	1	164461	68985	1	69465	1	17435	1	63425	1	115861	59783	1	76448	1	1	107668	87380	1	146993	1	86337	91946	1	1	1	1	1	81624	1	145665	1	79432	75611	79953	81211	1	1	1	88637	146368	1	153694	113898	1	1	1	98131
206.0602@2.9871037	96348	101471	95413	97557	25750	51002	87771	28379	54399	1	1	127618	1	100055	125361	108684	147963	153544	59659	118992	115289	139635	131415	45179	94598	1	112412	108148	72641	81826	105934	134894	66000	46154	131612	1	129473	83292	103593	145002	62858	127093	69077	56397	69505	52729	141043	109232	118453	1	139490	52626	91509	119187	137256	1	127805	97260	82616	1	127381	146978	42713	95979	68740	142948	1	40360	103284	1	66716	135331	1	1	86235	75123	117704	109673	47215	106843	106111	1	146349	176804	161817	164292	48943	74110	137195	84578	77996	146628	83630	154993	1	112691	40130	4334	174616	28216	60882	132975	41822	91854	45343	81276	175504	150137	1	193373	176022	43505	1	89266	181721	143969	135998	89077	170668	54741	37605	157600	158727	136523	132980	1	109018	167331	222384	176752	31881	49797	1	165074	39908	100931	219530	94004	162630	135037	47098	158324	120362	148469
181.0671@2.999143	1	1	1	8439	1	1	16270	6098	15418	1	1	1	1	1	1	1	20513	17523	1	1	17049	1	1	1	1	1	10298	22903	1	1	1	1	1	1	1	1	1	1	16810	21786	12990	1	1	10337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14978	1	1	1	4929	1	1	1	2813	1	1	3781	1	1	1	132501	1	1	4468	1	15373	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	15690	1	1	1	1	3073	1	1	1	1	1	13130	1	1	18507	1	1	1	1	1	1	1	32490	1	10075	1	1	127816	1	1	1	1	1	17338	1
335.0066@2.9597943	16573	68455	7508	1	41568	31564	16200	12557	93101	9874	11164	31222	1	1	20169	12952	1	41849	208921	202668	1	24533	1	20826	25478	53134	16628	1	245137	131699	13631	22512	41753	27722	1	15070	21994	14703	39712	15779	1	1	215676	235885	220808	231938	84535	1	237010	150813	32889	11934	1	30981	30886	35881	27758	22770	1	1	23710	11767	23293	14865	19189	15929	17957	13452	60483	12290	45406	11317	1	1	13133	49499	17626	15697	25473	17401	44976	28180	1	20463	19597	34035	107374	14915	1	1	14613	10156	14901	20835	14800	15732	19981	15064	1	42789	1	14981	31970	23875	20979	17097	24584	1	25382	40841	136446	138229	1	31471	283002	281692	42553	81500	86910	106823	24973	1	1	1	8554	29124	1	1	1	19033	28114	55410	12715	1	1	24758	19371	12707	6897	25569	1	31829	143080	140224
660.1363@2.958	1	1	1	1	1	1	1	6954	5536	5775	1	1	1	1	1	1	1	5610	7022	1	4590	1	5082	1	1	1	1	1	6371	5703	6944	7171	4943	5487	1	1	6549	8302	6800	1	1	8752	7785	5744	5735	3862	1	1	9951	10478	8891	6895	1	1	3340	1	6858	1	1	1	3471	6962	1	1	4875	1	1	7834	1	1	4780	1	8871	8806	6092	1	6401	1	5984	2951	1	7808	7809	1	1	1	6682	7549	1	1	7152	1	1	1	1	8790	4345	1	4340	6432	9779	1	5518	1	7184	1	7959	8845	6521	9571	1	8692	8150	1	10177	1	1	6425	7967	5550	4461	1	1	9068	1	1	1	1	9685	1	5497	9850	10575	12608	1	10963	13971	14041	1	6913	4971	5313	8436	1
408.9014@3.0001976	1	1	1	1	1	1	1	1	3927	1	1	1	1	1	1	1	1	6299	1	14712	1	1	1	8231	19702	21291	18454	4438	1	1	1	11994	12402	24592	21159	5655	1	20454	21650	1	10913	1	7967	3828	8683	22794	21999	22890	1	1	27867	6506	16970	1	4635	1	9308	1	1	1	1	3028	1	18503	6584	1	1	19483	20066	1	25314	19237	1	22290	19163	1	9560	1	7616	1	6223	23559	1	1	1	13284	19055	23176	18882	25236	12997	25565	12706	22507	13372	13443	12461	10407	1	7924	14786	7688	13774	24594	19184	6714	1	1	4083	8563	17219	5162	13249	30280	23092	6825	9648	33220	1	32731	5887	1	1	18715	12985	11846	29447	12295	17453	1	38063	1	1	18304	1	16341	1	7904	23880	1	42924	32162	1	30640
472.0862@2.9921665	15644	31561	23188	10506	17787	35232	39535	43018	37713	19857	8523	49684	29838	7412	29373	12149	39592	20816	35786	39517	32716	39724	42903	17960	26652	18081	38702	44491	35742	34019	40844	51060	24754	55889	50423	46751	54093	7652	20130	32509	20414	39171	45158	37785	54931	44164	18291	44304	28329	1	1	29684	24444	47239	22867	39672	8106	28960	11455	26093	14847	41422	44334	36009	16744	29234	1	41080	41799	36452	51253	43338	39808	32450	47642	30464	43376	27094	30102	21618	38725	33105	38361	18153	31723	24155	54121	21302	26714	1	29133	37932	18653	19290	31446	33571	34934	29479	54377	52543	62311	35938	27247	48673	53764	46064	32567	54992	52858	55817	18764	1	64733	33729	49684	49642	52032	23297	57124	37024	46150	54654	19456	43893	47260	23533	57042	57035	69854	68119	58959	51082	57025	50472	59443	67224	69390	1	64344	20443	16866	39888	24028	41421
216.0412@2.9754915	1	1	1	135263	1	2467906	1422609	1	1700634	1	1	1	3045503	1	1	1	3218786	1	253780	1	1	71371	278286	1	1	13192	1	1	343456	2972414	1	1	558198	1	3463195	1	3617099	3705453	27318	871863	1	1	3055414	159265	1	3072034	3252540	1	1	1	4105661	344425	3887864	1	1	280568	84468	2977665	2740302	1	1	1	1	361088	2606610	2682360	1	1	1	1	1	1	274737	2602723	2089293	1	1	1	448314	1	4066473	997757	3469874	1	1	2735143	1	1	428400	1	2984840	1	1	1	3288080	631589	490462	1	1	2843871	1	1	205710	1	3439381	1	340512	1	1	258464	1882074	1	340894	1	1	1	3631464	1	1	252152	1	647410	3017964	1	403291	1	1	4015462	1	1	417033	4085785	18878	1	1	1	1	1	1	1	1	2931116	1	2887678
472.1581@3.001321	1	1	1	1	1	1	5894	1	5520	9985	12670	9745	15018	16274	11606	1	15840	12922	11312	1	1	6631	1	1	1	1	1	1	1	1	11034	8140	7413	13137	1	1	12428	1	1	1	1	16084	1	1	1	12736	8004	9195	1	1	23583	4264	14807	14901	7737	11217	1	14174	1	1	9843	11290	13062	1	1	8159	10164	5498	1	1	1	9711	1	1	1	7306	9541	1	1	1	1	12968	1	8274	2578	1	15542	19215	17302	1	1	11700	1	1	5568	1	8648	7611	1	1	6003	18064	14929	18305	1	12869	11134	20220	19054	18345	12542	11243	12706	1	11492	11940	14972	1	1	12947	12874	11930	1	8862	1	15290	12359	9937	13760	14425	19113	20866	7246	1	11858	8260	1	9452	15168	15608	17680	1	1	12167
426.9125@3.0059545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8931	1	1	1	1	1	1	1	1	1	1	1	4404	1	1	1	1	1	1	1	1	1	4779	1	1	1	1	1	1	1	1	1	1	1	3253	1	1	1	1	1	3948	1	1	1	1	1	1	1	1	1	1	1	1	1	3719	1	3969	1	1	1	1	1	1	1	2445	1	4919	1	1	5826	1	1	1	1	5291	1	7995	1	1	1	1	1	1	6151	4170	1	6024	1	1	1	1	1	1	1	5979	1	9325	7889	5895	10060	1	1	1	1	5016	6320	1	1	1
348.9348@3.006	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3869	1	2867	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5875	1	1	1	1	1	1	1	3423	1	1	1	1	1	5549	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3128	4810	1	1	1	1	1	6505	1	1	1	1	10235	1	5285	1	1	1	1	1	1	3419	1	1	1	1	1	1	1	5622	1	1	1	1	1	6266	1	1	1	1	9403	1	1	1	1	6780	1	1	3569
218.0381@2.9255438	544444	1	1	1	1	1	391681	1	1	1	1	1	1	1	405282	1	1	1	54373	320997	123445	1	1	1	1	1328753	1	1	1	1	18595	412176	1	1	1	1	1	1	606213	352760	1	1	1523777	1	1	1	1	1	1	434383	1	1	1	1	1048483	1721650	1	1	1	1	1	1	1708096	1	1	1	1470360	1	1	158382	1	1	20119	1	1	126663	318699	408660	1	130248	1	1	1972373	1	1231935	276764	1	35056	1	1	1	1	1	14938	1	1	1	239563	1	436381	1	1	1623199	1	1	1	1	1	1761296	124432	1	1	1110246	947242	1209039	1	1	1	490563	199619	1	1	1	1	1	1485461	1	1	1	1	396161	1	1	928701	1095090	880121	1	1	837072	1	79748	1	910983	1
C17 H9 N4 O S2	7826	6223	7626	1	14191	9853	13068	9430	1	15343	13514	14167	37498	17773	1	29278	1	1	41274	10551	13618	12316	1	15292	1	8661	21131	19353	12016	17300	1	20737	1	36515	35284	32892	58472	32967	22512	1	40323	1	16859	17694	21878	18395	14010	28912	19262	1	24037	49671	48936	46749	19542	33437	35756	33665	1	11998	36339	34617	51188	27863	22110	34096	18623	13740	20398	1	20553	19254	1	13746	14282	1	29637	32336	32069	26021	9452	33694	26267	29615	27124	29877	29808	40993	1	24021	1	20809	16832	14472	13898	12424	18140	28386	26365	12187	25002	1	23600	40330	21865	19489	37463	1	24283	24524	24281	18860	26779	33619	24454	1	31997	50305	1	22940	29446	33015	23959	21830	42223	43864	27111	1	22898	33428	29870	46635	14799	17447	27636	32396	29113	19796	32129	1	23541	29797	21164	20006
444.8778@2.9966888	1	3084	1	1	1	1	1	1	1	1	7251	1	1	1	8414	1	1	1	4714	1	1	11212	1	1	1	1	1	1	8629	9256	18532	1	1	7667	8987	1	1	1	5561	1	6943	17088	1	1	1	1	1	1	16236	1	1	18121	1	1	1	1	1	13035	1	9015	14766	18175	22066	1	1	8060	7563	1	1	8731	13415	1	22144	10616	13183	11098	13308	16765	1	15586	1	1	7656	25696	1	1	1	1	1	1	4227	1	1	1	21848	1	1	1	20052	1	4603	1	20543	1	1	1	1	8084	13756	22110	1	23835	12066	3321	1	6635	10091	1	11361	1	30136	1	31037	1	1	16217	1	6587	17300	20145	1	9704	32602	6488	1	17982	32532	12520	1	11047	1	1	25034	1
205.064@2.9640193	1	1	1	1	22364	1	15830	12038	1	1	17989	22680	13380	1	1	1	4483	1	1	1	1	1	1	1	1	1	11915	1	24117	15998	1	1	1	1	1	1	1	1	1	29579	1	23178	21885	1	1	1	23295	1	1	19620	1	21858	1	20389	1	13771	1	1	18000	1	16657	1	24470	1	24584	12123	1	1	1	1	15089	14040	1	1	10727	16855	1	16995	1	15488	1	1	19354	1	14232	1	1	17445	1	1	1	1	1	1	11693	1	1	1	1	23150	1	28224	20505	1	18522	1	1	1	1	14078	24005	1	1	28692	32672	26489	22313	1	1	28726	1	1	1	1	1	1	21621	1	1	1	9662	1	12036	22493	1	1	1	27417	23577	25791	23045	1	1	1
322.005@2.9693284	1	1	1	1	1	18920	1	1	21516	1	1	16500	1	16748	1	20078	13652	1	1	17810	1	36131	1	1	1	1	27096	1	1	24313	1	1	26376	1	34769	1	29442	33188	14721	21469	1	34344	2489	1	33039	1	32109	35653	27540	14885	41983	1	1	1	15303	1	31423	24538	1	1	34010	15314	4945	16747	1	43056	33434	27457	1	19855	40700	1	30057	26601	13087	1	1	1	1	1	4666	1	19686	36937	18601	30893	1	9816	1	30487	1	1	1	1	21274	18341	33595	22808	23332	1	13846	1	24087	24450	1	1	32779	23590	25942	33120	31163	1	1	23924	28090	1	9701	1	1	28277	34595	35565	13369	15763	17150	1	17524	1	27619	1	40298	30583	23421	46146	15469	22250	18183	1	1	24499	1	1	21765	1
383.9615@3.0113728	27622	28694	16547	18769	30614	17869	13150	34239	25819	34078	8627	36557	37889	7925	32173	37688	34149	25164	16136	22848	35867	28825	31868	30493	20812	27460	6911	36480	1	5126	14596	25011	29050	33285	29261	29774	13230	27242	33997	1	1	31937	23920	9724	19651	20500	20177	28434	16047	12250	26916	1	17105	27708	13969	15509	26109	19897	1	10896	1	25966	18064	28515	25406	1	27030	28204	23679	24628	18647	23528	24254	24900	22790	28407	29513	4026	28316	25310	21996	20701	30550	27990	23448	29380	22985	17284	21963	24303	10198	1	1	27496	13910	20371	1	26782	29233	1	24246	26920	29022	28198	24943	17419	11523	26188	25723	27288	20843	19533	18467	30498	15413	1	9599	29743	16131	21372	24224	21142	29976	11833	26099	17950	20940	11620	19817	24738	20326	1	24825	28317	15923	11121	15461	1	18887	14609	17001	22997	16792	1
292.0603@2.9843333	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4906	1	1	1	1	3516	1	1	1	1	1	1	1	1	1	1	9720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
205.0641@3.0032728	1	1	1	1	1	1	23710	30564	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13898	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	21674	1	1	1	1	1	1	4050	29462	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13608	1	1	1	1	3444	1	17319	1	1	1
359.1205@3.0634842	1	1	34840	45963	23499	15676	25112	24416	46739	43346	23492	13528	37408	37932	10323	11724	1	1	1	1	1	1	24002	24830	33994	33757	41303	44150	31527	11021	1	1	30040	29703	7599	9669	10802	1	13664	5940	18272	20318	23803	25768	1	1	24891	24157	16559	20953	8654	10790	1	1	29742	24150	1	11600	12281	1	24251	24426	30325	30574	16724	10874	7915	8974	51858	1	16822	17005	1	1	1	1	1	1	13373	15455	12306	11879	13987	12068	5778	12716	1	1	1	1	19748	19880	1	5704	16044	1	1	1	6701	14249	1	1	21708	31675	1	13646	22235	11173	1	10969	1	5138	1	11471	1	10548	57715	1	1	1	1	1	18716	17732	1	1	9928	18776	14441	14962	16568	22154	1	1	13551	17774	21667	1	10201	11209	1	1	20781	21751
341.8961@3.0717356	1	1	1	29504	1	1	1	13918	42742	46989	1	1	37621	1	1	1	1	1	1	16592	1	1	27719	1	47398	1	1	1	1	1	1	23635	1	1	1	1	1	1	33060	1	1	46007	1	1	1	1	1	1	1	1	1	34964	1	1	60877	1	1	1	1	1	1	22632	46698	1	1	36407	22374	1	115352	1	1	1	1	1	1	1	37272	1	1	1	34479	1	1	1	1	1	1	28745	1	27552	1	1	1	1	1	1	1	1	34428	22440	1	1	66200	1	1	1	1	1	1	40923	1	1	40261	19468	1	1	1	1	1	1	1	21639	1	1	27437	1	44141	1	1	1	59119	1	1	1	1	1	1	1	38747	1	1	1	1	68429
Hippuric acid	110278	114721	573770	587017	349202	355436	375663	393879	756900	768286	316481	328083	566746	584066	223178	208834	1	1	1	148378	130795	129122	452966	443083	658153	650399	733512	757817	630157	607119	229476	235790	547084	556023	1	284589	196113	196689	263954	268223	1	456364	622121	623034	318155	282920	479807	507170	503866	484535	262086	1	1	233978	594719	573717	1	224660	323823	357457	503721	480024	601339	574377	314862	337810	361481	1	1294888	1304981	391020	380796	143966	151531	1	1	292123	301811	323914	343335	283279	295120	321574	310758	288665	270101	207325	197336	190420	197541	475280	475500	189544	196373	425903	441581	230905	214139	361880	373973	231679	212112	722527	737977	393555	409875	435053	422811	1	259766	1	290808	299526	330669	324993	319596	1573761	1653343	207194	205046	207001	191896	438273	449611	278937	268086	377288	1	335305	335143	443952	445311	99106	104622	366582	362103	391244	376449	214490	224424	1	176406	466567	477640
135.0683@3.074721	1	1	1	1	1	1	1	1	1	53827	1	1	1	1	1	1	1	1	1	1	1	1	32739	32523	27717	44457	53050	51675	40061	42231	15369	1	35151	35160	9067	1	1	1	1	12128	11908	28745	29373	39964	1	12933	35043	32477	37501	16586	19726	14384	14626	1	41406	42323	1	1	15899	13926	37061	1	40050	39235	20015	1	26696	1	95156	84366	1	26604	1	1	1	1	1	1	1	25566	1	1	1	23129	17955	1	1	1	1	1	33093	33527	1	1	22881	25120	1	16295	29186	13016	1	1	49606	49158	23610	31013	30219	29031	1	17817	21800	22272	20692	1	24471	1	114702	117547	1	15749	12575	13785	30295	1	12574	18931	1	26213	14018	24121	26457	31883	1	1	26892	28008	28954	31324	1	1	13494	12682	35503	1
5-Acetylamino-6-amino-3-methyluracil	1	1	34317	36820	56048	54733	57626	1	26234	1	1	1	92297	89109	53567	59410	42906	45286	38203	35896	1	1	18233	52054	1	17916	60930	67013	41401	43382	1	1	1	1	1	1	49610	46798	21686	33438	60475	63486	43052	46132	76797	68364	33284	33282	9820	9925	1	1	1	1	24377	24500	37009	34392	1	1	1	1	15110	15280	49502	46253	44305	43183	51492	50763	63886	65938	1	1	1	1	38373	37990	33768	32371	26687	30515	39174	37552	1	1	1	1	46133	46688	36808	36886	18860	19306	1	1	1	1	27571	29864	1	1	1	1	47277	47263	31641	27593	59919	59765	18582	1	30960	30147	1	1	1	1	1	1	73987	77427	23398	23023	26223	26654	25871	26368	61621	58852	106444	113027	1	1	69341	72888	30493	28858	21831	24006	43097	47323	1	1
616.1083@3.1493914	1	1	1	1	1	1	1	1	1	1	9619	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3759	1	1	1	4641	1	35505	4708	1	1	1	1	1	1	5773	14599	6899	8271	1	1	10503	4330	1	1	1	1	1	1	3376	5046	1	1	3463	5232	1	1	1	1	1	6139	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2618	7207	9118	1	1	1	1	1	1	1	3683	1	1	1	17975	1	1	1	1	1	1	1	13198	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5483
617.1117@3.226	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4635	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3873	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
616.1079@3.2444286	1	1	1	1	1	1	1	1	1	1	8573	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13181	9336	1	1	1	1	1	1	6603	1	7115	15837	1	1	1	4583	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6862	5823	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5205	1	1	1	1	1	1	1	1	1	1	10037	14061	1	1	1	1	1	1	6556	5416	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
AMCC	48476	45649	60923	60569	22656	19256	78936	76245	18094	18355	75551	69888	69527	68877	31280	32304	50448	51433	23445	24608	40089	41714	79518	81104	34154	33842	15904	1	1	15835	157394	157597	30904	29777	20509	1	28331	1	1	1	26229	27674	21014	18664	126371	121527	29376	28859	21132	21624	29989	32268	31209	29492	30121	30305	14964	1	1	1	16965	1	27590	1	1	27258	24574	25388	37901	39921	30197	17876	1	1	59505	61762	1	16119	24883	22101	27548	27937	1	15458	141600	145736	30532	33752	21275	22629	19579	19173	17989	1	166699	169270	21017	1	24729	23493	19083	18898	27243	27464	1	1	29490	29317	18780	21466	14766	26962	22037	1	28842	28132	18182	1	79554	80157	33392	34749	25408	24790	27541	27840	70420	70514	20277	1	37236	34810	101908	98212	24305	27004	25711	26848	1	18042	66915	66694	77034	80560
Tauroursodeoxycholic acid	1	1	5610	1	1	6293	7465	7219	10186	9994	6018	6191	1	1	1	1	27098	27281	8908	8275	34689	36427	40220	39964	35274	33858	1	1	3743	1	3408	5165	1	1	1	1	9770	5440	1	1	1	3380	14255	14247	68126	63199	1	1	6884	1	7720	7610	10528	11284	9119	8297	10955	9054	9036	8620	1	1	6960	12413	10940	10518	1	1	57888	56978	34514	35445	41192	41852	1	1	1	1	1	1	1	1	13990	12915	1	3806	13021	13756	7956	9254	1	1	1	2885	61826	62038	12951	13171	9238	8585	1	1	1	1	1	1	1	6049	5709	7011	1	1	1	1	4609	1	4524	1	1	1	4965	4832	1	8735	6011	1	23072	21344	1	1	5969	6505	1	1	20273	18537	59612	62395	76428	79067	101144	155105	44299	29747
612.2033@3.3620002	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7367	7134	1	1	1	1	1	1	1	1	1	2732	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3818	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
AMCC - 3.3688588	40987	55254	41941	48796	1	1	67018	64186	1	1	59423	67751	36678	30670	18128	20374	1	28919	11809	12437	35161	53948	63283	59951	1	8468	1	1	1	13926	110948	128823	1	11511	1	18492	1	11943	1	1	22539	22144	1	16239	112279	71439	1	1	1	1	14431	13894	1	1	19536	1	1	1	1	1	1	1	1	1	1	1	26066	1	29023	22586	1	1	1	1	32108	47855	10528	1	1	1	19928	1	1	18603	30296	110495	14912	22259	1	1	1	17262	18784	10509	146251	156831	17885	1	1	20980	1	1	1	21160	1	1	25340	22482	10523	16056	1	1	15406	23437	1	18775	1	1	42235	76507	23635	13212	1	16598	1	12343	1	61165	1	1	1	1	79148	72415	25704	12320	22081	12037	1	13518	54806	61252	58735	1
464.239@3.3726666	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5436	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
625.1332@3.3803337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8901	5748	5372	1	1	1	1	1	1	1	4701	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4588	6542	1	1	1	1	1	1	5567	4448	1	1	1	1	1	1	1	7968	1	1	5491	5629	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
663.1733@3.3744998	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6931	6358	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5104	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
562.1487@3.3768337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	16337	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14197	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20904	14745	1	1	13042	5560	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1038.4424@3.37425	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4870	4828	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7324	7428	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
606.2472@3.3721478	1	1	1	1	1	1	1	1	4017	1	1	1	1	1	1	1	1	1	1	5545	1	1	1	1	1	1	1	18178	15043	9107	1	1	1	12500	12459	10524	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9718	1	1	27270	25975	10133	12919	1	1	1	1	1	1	8497	9534	11746	6917	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8410	1	1	12286	13377	1	1	1	1	1	1	11009	18504	1	1	1	1	1	1	29914	36392	1	1	16453	15777	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8587	1	1	1	1	1	1	1
6-dehydrotestosterone 17-glucosiduronic acid - 3.373496	103411	122998	60858	65271	25250	20590	78595	72451	72074	76404	13323	17366	54059	55758	19103	44745	25091	1	102105	89093	34066	63465	1	1	1	62484	391106	350562	176661	199605	68233	63209	316219	311972	302792	310229	105783	75397	101854	108613	17330	18992	1	11162	9574	13677	74026	59648	32053	14043	252324	247591	129635	128175	456500	536837	317789	331965	47250	46950	101791	83401	34660	70425	304826	259050	194311	211928	87637	75972	148669	140880	44161	31240	10073	24900	14936	19488	1	1	119650	118820	37771	33850	1	18052	53415	62047	232624	235680	79154	73896	398384	353374	70216	70463	11377	17275	15174	11036	377284	385861	40952	1	1	1	59628	61394	675969	706465	1	171792	429880	434758	35932	30312	9888	5177	33283	34168	7499	25180	9474	16302	12118	27099	1	4693	126084	119424	94525	101088	51199	25646	93024	108892	205842	224266	53229	54364	100057	103278	1	1
612.204@3.380143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5830	1	1	1	1	1	1	1	1	6256	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6799	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7855	7926	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7484	1	1	1	7040	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
603.1518@3.376222	1	4383	1	1	1	1	1	1	3560	1	1	1	1	1	1	1	1	1	6254	7066	1	1	1	1	1	2349	12605	33028	1	1	1	1	7029	1	22643	14159	3769	5222	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7245	7862	1	8061	1	15899	1	1	1	1	1	1	1	1	1	1	3237	1	6468	1	1	1	1	1	1	1	1	1	4639	1	1	1	1	1	1	1	9180	14293	1	1	1	16150	1	1	1	1	1	1	1	13255	1	1	1	1	1	1	49076	25161	1	1	1	29690	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5779	1	1	1	1	1	1
597.1184@3.381	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5970	1	1	1	1	1	1	1	1	15457	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
Trp His Glu	19329	1	7304	1	1	1	1	6297	6850	8422	1	1	1	7087	7214	1	1	1	12446	14475	4469	1	1	1	11887	13188	65173	54562	32640	34513	1	1	49595	54766	29815	32524	3866	10924	16986	20449	1	1	1	1	1	1	6574	1	1	5872	44528	39210	16454	12233	9633	92314	55735	69805	2917	1	4418	13474	13033	12844	1	52980	19848	30374	9247	12072	16514	1	1	1	1	1	1	1	1	1	18910	12018	1	1	1	1	1	11290	36841	27169	1	11029	69551	74360	10991	1	1	1	1	1	69642	67249	1	1	1	1	1	11256	59281	76001	20024	18272	70414	68074	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	22536	6684	15193	1	1	1	17247	23426	5662	3093	1	12529	17429	1	1
304.0721@3.4058335	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10640	1	1	1	1	17162	1	1	1	1	1	13084	13016	1	1	1	1	1	1	1	1	11099	10701	9096	1	1	1	1	1	1	1	12060	12437	1	1	16557	15312	1	1	1	1	1	1	1	1	1	1	1	1	19047	17781	1	9671	1	8909	1	1	1	11123	1	6861	13147	14670	1	1	1	1	1	11635	1	1	1	1	10162	10591	1	1	1	1	10819	19379	1	1	1	1	1	1	16281	16029	1	1	1	16549	1	1	1	1	1	9804	1	1	15471	14526	1	1	1	1	1	1	1	1	1	1	1	1
557.1464@3.3780744	5882	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6085	1	11551	15659	1	1	21022	17452	1	1	1	1	5772	1	1	1	1	1	1	1	1	1	1	1	17915	17086	1	1	47991	38573	28176	5322	1	1	1	4751	1	1	23019	1	12860	5463	1	1	4599	1	1	1	1	1	1	1	1	1	1	3990	1	1	1	1	1	1	1	1	1	1	23339	6831	1	1	1	1	1	1	22527	8797	1	1	1	1	1	1	7118	4743	14174	1	36260	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
508.2285@3.4610555	1	1	1	1	1	1	1	1	1	1	1	1	1	1	26347	1	1	1	6144	1	1	1	1	1	1	1	1	1	10195	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14190	1	4403	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4197	1	1	1	1	9292	1	1	20489	1	9052	1	1	1	1	1	1	4864	1	1	1	1	1	1	1	1	1	10837	1	1	7049	1	1	1	1	5589	1	1	1	1	1	1	25686	17102	1	1	9881	1	1	1	1	1	1	1	1	1	1	1	15020	1	1	1	6832	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
506.2136@3.5537996	1	1	1	1	1	1	1	1	4916	3280	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5874	4135	1	27085	1	1	1	1	19033	20417	10057	19037	1	1	1	1	1	1	1	1	1	1	11127	1	1	1	21858	1	1	1	13867	10139	22703	14980	1	1	1	1	1	1	13884	11590	1	7128	6587	1	1	5916	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	11338	1	7232	8141	1	1	1	1	1	1	1	1	14040	1	1	1	1	1	1	1	57478	44228	6937	1	25011	9547	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5328	1	1
2beta,7alpha,12alpha-Trihydroxy-3-oxo-5beta-cholan-24-oic Acid	44758	44259	1	1	1	1	1	1	1	1	1	6075	1	1	11566	9544	1	1	1	1	27480	27700	1	1	1	1	1	1	1	1	1	8124	14536	9953	1	1	111222	105421	18831	9398	49252	17364	185078	192985	1	1	1	1	1	1	1	1	15975	18392	7731	1	16235	21687	1	1	8691	8160	7855	8690	1	1	1	1	1	1	1	1	60154	59635	1	1	1	1	1	1	34379	39671	106459	97502	29028	36539	1	1	1	1	1	1	1	1	1	1	1	1	22676	18115	129067	131004	360388	367527	1	1	57870	57286	5786	12929	1	1	27555	29200	30576	26836	29330	20674	18963	11906	29930	31909	1	1	8200	10033	15240	8604	71002	71449	41822	42428	1	1	6816	9285	20743	23863	10992	12992	6504	1	18159	16667
508.2289@3.5612	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5720	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5863	1	1	1	1	1	1	1	5566	1	1	1	1	1	1	1	1	4610	1	1	10041	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
641.6303@3.627733	28184	1	25669	20005	24351	16579	19490	26467	24592	14466	28034	25565	29350	21012	27921	20242	19904	27244	23579	27962	28375	27791	12563	30406	25556	18538	26029	29259	20173	27502	28029	18597	33415	32089	31460	32161	30506	30958	33580	29717	20690	29280	29019	34035	30391	28726	31743	1	22519	24622	35096	21803	29730	29795	26236	31404	34281	33004	22784	28315	17706	34620	31011	28440	34086	21502	27724	23262	27484	32430	34366	32751	33073	32742	29776	30190	30343	27144	34391	36105	13942	29403	30708	16219	34340	30637	32133	32403	24268	29769	31362	20459	128730	131971	31286	14122	30740	34123	23722	28699	28937	28086	32939	36297	1	33407	28769	19021	28709	28793	29323	34828	34222	31004	27253	28919	35648	31534	29693	31072	27674	38405	1	15423	31663	31535	6026	33730	29047	33528	27923	31773	34459	30357	23733	25917	33067	1	1	34334	35356	31717	31858	33072
268.0902@3.7630186	1	1	1	1	1	12985	37956	1	1	1	21457	1	1	1	42012	41645	1	49972	1	1	1	1	1	1	1	1	15755	1	22620	25301	1	1	19036	17633	1	21441	1	1	16887	1	1	1	1	1	1	1	1	1	1	1	17898	1	1	1	1	1	29194	28201	30502	30131	1	1	1	43314	27153	1	21840	22366	18871	1	16173	16904	31113	32177	1	1	1	17734	19742	19497	1	1	1	1	14272	10903	1	13163	41716	17565	34134	1	1	1	20424	22300	31520	32147	1	13395	23768	88873	70981	74816	69351	1	1	1	21305	19025	35675	1	1	1	17820	17814	1	1	16968	1	1	1	20221	1	51263	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
258.0615@3.7426934	1	1	1	1	1	1	55399	1	1	1	38987	31331	1	1	66333	71443	1	77083	1	1	55709	13898	1	1	20939	19323	28265	34034	28679	44129	27911	30069	24693	32515	25730	39099	1	15395	32831	32843	1	8668	1	1	7699	1	1	1	1	1	21779	32522	1	12303	34324	32027	50510	55845	51991	53532	1	80294	1	79938	52187	28712	25826	42357	37980	40472	7860	29143	53351	53849	33211	18263	30211	29001	34249	34737	1	18879	1	1	28947	1	23740	14303	1	74242	73814	1	33049	30059	39950	41910	1	51970	37600	41508	86642	141879	114548	123431	111859	1	1	10809	35171	37106	58495	53591	15355	15559	31444	29265	1	1	29932	30220	1	1	37850	21783	87608	1	1	1	1	1	1	1	1	1	1	1	16371	16254	1	1	1	1	9933	5900
476.3331@3.9994545	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	28551	13537	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17808	12863	1	1	1	1	1	1	1	1	28464	27253	1	1	1	1	1	1	1	1	1	1	26879	27418	30195	1	50015	30656	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
448.14@4.0390625	30370	34471	25441	25885	29874	30170	25567	26016	32274	30756	27301	28791	39575	37058	33037	32894	26764	26933	44478	44636	26517	27826	26081	26646	38076	39559	30194	32622	31847	31130	29346	29571	30985	32872	29139	26223	51693	50647	30137	30507	34566	32171	38798	39024	35272	34846	45910	51385	41272	43145	34596	35352	39275	39094	53435	50505	26548	27841	35598	37117	31612	30909	33925	35185	34830	33930	31832	31579	38815	41081	32992	35399	35946	33217	44481	42727	31809	29501	30210	29744	33419	35465	30119	31446	33532	31944	36082	34322	28592	30633	34612	31808	38857	40828	35752	36313	31880	29748	37773	35847	32298	31603	37228	36848	36714	35886	68101	62871	34913	32145	49665	48852	29416	29043	55356	56434	35745	35914	32346	32434	59367	58917	33476	33659	41017	39199	75420	75382	46961	46930	52859	52487	43108	42935	45279	47523	38664	39539	32215	30552	41428	41942	30310	31272
318.8372@3.9740624	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4645	1	1	6187	1	1	1	1	1	1	1	1	5032	1	1	1	1	1	6514	9166	1	1	1	1	1	6727	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8836	1	7963	1	1	1	1	1	1	1	7733	1	6555	1	1	1	1	1	1	1	4987	1	1	1	1	1	1	1	7363	1	5822	1	1	1	1	1	1	1	1	1	1	1	7545	1	1	1	1	1	1	1	1	1	1	1	1	1	9535	1	1	1	1	1	1	1	1	1	1	1	6532	1	1	1	1	1	1	1	1
212.9837@4.199063	16808	14853	17025	15794	18704	17431	14553	1	15148	14149	14730	14687	16388	15805	17233	14514	13401	12525	9607	1	8877	12292	9388	1	1	1	8387	8193	1	1	1	1	8875	9662	10052	8626	8724	1	9370	8794	1	7270	8755	7917	7513	1	9037	9426	1	8021	1	10311	9585	8730	7689	8092	1	8975	1	1	6871	1	1	1	9405	8221	7109	1	7803	1	7016	7725	1	7442	1	1	7885	1	9318	9654	1	1	1	6763	1	6363	1	6655	1	1	8850	1	8811	7970	1	1	1	1	7548	1	7627	7989	7728	6956	1	1	1	8167	8225	8848	1	1	7457	1	1	1	8226	8676	1	9071	1	6429	1	1	6430	1	1	1	7241	7220	1	1	1	1	9085	10795	1	1	1	1	1	1	4477	1
Creatinine	121199	121167	135823	134334	146863	151691	119061	120736	118459	120252	115356	118559	150646	155047	151371	149575	108879	112574	100603	102404	124475	128485	112569	108118	82939	84299	125404	121125	117241	120048	123520	126186	130021	136722	144410	143841	112318	110840	114083	112877	105003	108309	119050	112174	110235	105332	154970	147975	148358	143843	182390	165759	158125	146709	128217	130173	126165	129796	105529	109936	108749	99477	101167	106299	129203	132779	120283	125988	117437	120509	120052	118285	95503	99654	72240	70147	168679	170930	150733	188169	115907	116810	136099	128974	107929	113246	130811	136048	140952	143903	179686	179255	174598	174590	167854	171479	133895	124869	127511	123135	162886	165198	151368	165618	124950	120713	196484	195408	201428	202013	156955	154696	172315	177810	161986	158462	157392	168025	157315	162912	127850	133967	108795	111374	151174	154600	155263	157773	161649	165036	179845	183914	62884	1	250953	255177	229353	224540	161752	166089	175353	179362	102268	99493
Methionine	1	1	1	1	13144	14818	1	1	18062	1	1	1	1	1	1	15921	1	1	1	1	1	1	1	1	17512	14476	17090	1	14839	1	1	1	19582	20124	1	17174	1	16868	1	1	24723	22147	1	14831	1	1	19534	20037	17562	14406	1	9422	19569	22050	20605	18390	1	20437	1	1	19054	15541	16765	18264	18482	15258	18769	17740	19895	20509	23263	1	1	1	1	1	17650	17896	24906	22216	1	19075	17594	18620	1	1	19708	19797	23204	22079	6740	20595	15215	17085	1	1	1	1	19666	10706	21599	21068	19351	21102	1	1	20307	1	20406	20850	20185	1	21691	23115	22556	21153	1	22399	1	1	1	22239	7462	1	21318	20267	24442	23458	19119	21830	1	21700	1	1	21113	22753	20215	18050	20782	18722	22492	23467	1	1
910.5562@4.499706	1	1	11753	12106	8664	8048	3683	5284	13841	18332	22954	30563	15621	18102	7547	13823	32972	35547	44969	39452	8493	14703	10277	9960	14829	15799	14990	17920	9511	9932	1	1	28240	27222	13846	13745	17580	10331	10787	17548	15876	13255	11731	13380	27278	33080	33004	34781	22730	25439	6705	7802	13309	11570	6885	1	4757	5443	1	7966	17201	13623	19615	24445	8142	11455	15457	14098	10954	12194	16520	15339	16570	9963	7723	6924	5387	5918	4873	6060	5906	5219	10652	10325	17456	20551	4541	1	1	1	13246	12681	12526	12868	1	1	9176	8231	10716	11846	8679	6616	1	6321	16576	12648	25265	25377	14170	14778	4003	3996	1	1	24181	17955	16937	17178	8288	7559	16044	7827	15920	15907	16707	18134	30676	24676	5240	4306	1	7097	14558	6547	21247	18416	18238	22151	4539	4036	7245	7515	14949	12896
882.5255@4.521291	1	1	27100	2943	1	1	1	1	38288	4715	45944	9679	28792	5461	41681	42780	8156	35813	12158	64116	1	1	1	1	30793	31646	33110	29518	1	1	1	1	12519	12477	6305	30554	13374	1	23950	4005	20820	4235	30026	5714	45218	48288	11722	40104	33165	33598	1	1	1	1	16389	1	1	1	1	1	1	20478	22454	5576	1	4152	6262	37447	20014	22235	22747	23361	1	27366	1	1	1	1	1	1	1	1	1	1	25949	25792	1	1	1	1	8406	25608	20157	16629	1	1	4395	1	3915	23620	1	1	1	1	7485	12914	9039	26459	21784	19440	1	1	1	1	25701	21612	6571	18780	1	1	1	1	25801	17659	29313	30007	13847	43603	1	1	1	1	1	1	22474	6084	6085	23917	1	1	1	15370	42273	39027
912.5705@4.5277314	5878	6164	10676	9765	8020	6543	1	1	6982	1	13801	1	1	11197	11511	11667	19618	21616	22314	19224	7418	1	1	5341	14203	10173	10067	9622	1	5844	1	1	30133	28998	9458	10450	1	10491	8702	1	1	1	9335	10627	13319	11948	20619	19449	9986	9579	1	1	6980	6989	1	10667	1	8923	1	1	10523	13827	1	1	8695	8879	11147	10183	6623	1	7672	8584	1	6584	4443	1	5676	7073	1	1	1	1	8766	7988	7785	6069	1	1	1	1	7336	7990	8152	8674	1	1	7665	7433	9972	1	5905	8540	5678	5251	5657	1	10190	1	8351	6316	1	1	1	1	1	8530	4736	8497	6006	5899	1	7868	1	1	6638	7143	1	8925	1	1	1	1	1	6200	1	10608	11877	11002	1	1	7003	8562	10613	11467
944.5146@4.5247	5076	1	13691	14973	12303	13188	5703	4591	1	15939	9981	10200	15647	15145	16530	15138	14229	13167	14892	18071	6992	1	1	3907	8113	7491	9381	9958	1	1	1	1	12901	14959	4452	4432	4512	6118	7285	6443	7883	7403	8028	7769	11103	10402	7435	7577	1	1	4289	1	3367	1	8138	8072	8455	9271	5656	4998	9277	10484	7568	10141	8711	7012	9271	8048	5019	1	4827	5373	7037	8920	1	1	5897	7413	5901	1	1	4110	8315	7711	3713	1	4962	5702	2935	1	1	4510	5822	4832	1	1	7873	8282	7787	8994	6122	4385	1	5150	1	1	6785	5820	1	4042	1	4190	3996	1	5104	5004	1	1	1	1	8309	7957	5726	6581	5774	5866	7237	7232	11030	10693	7531	8651	3116	1	6519	1	1	1	2547	1	6584	6210	10082	8230
PI(20:2(11Z,14Z)/18:2(9Z,12Z))	227452	225940	500317	514534	424126	443838	243837	242325	575941	590077	368347	380603	575278	581473	546568	601248	540716	546816	640356	631470	272198	269341	209467	220823	347512	353209	373258	369644	236965	243550	191033	215078	571107	573293	287040	271528	264276	257846	287620	289122	307457	330462	326076	319311	407724	406546	334179	335927	202692	207404	195572	214673	210634	214934	324242	327262	368776	353197	243928	247255	369772	360411	395742	387405	328692	324968	352851	340638	238442	231600	264472	262994	337111	345562	209012	203009	296551	298006	208932	225220	231126	225390	318083	311678	187531	191935	224208	234124	188565	196517	263452	263789	253680	253726	155713	168195	330364	337719	349873	367718	283381	284887	217857	220321	222474	220658	286330	286965	220816	198437	248891	233877	209342	210882	242349	232221	183370	173578	173398	170264	330577	313303	287916	300290	272429	281261	343587	353734	431484	395817	362050	334020	209197	218734	257168	290350	245720	220991	186959	189732	283431	277218	374480	387522
PI(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))	29035	28201	63235	66330	54351	56084	33632	32834	69030	68607	50131	48536	75563	70938	71103	75615	68458	70490	76889	76305	32481	35784	27482	28435	29734	41321	46547	44312	29533	29636	25116	27400	70575	70759	32958	37716	32467	29909	42516	33299	41646	40602	42035	43059	49369	48099	44880	40748	25815	25879	28370	25799	24642	28402	39937	40476	44137	45804	29627	29858	50022	47111	48921	38833	42049	38541	44473	45247	31435	29567	33977	33695	40766	40836	26168	25178	36407	40791	29870	27410	28338	29040	41974	39029	25549	23438	30334	31658	22440	20297	32048	34480	34633	34446	21565	20772	42559	43435	44298	42450	34807	38770	27627	28064	27119	28146	34275	28698	29706	26799	32388	33161	27987	26431	31577	29601	23660	22206	22037	23210	44643	40586	37722	35483	36403	36296	43916	42491	51503	56557	41712	44683	27020	27198	32553	35987	29540	30569	21101	25415	27125	35841	47518	46667
1022.5314@4.526259	11666	9547	25238	24825	20919	22779	11357	13105	28620	27264	17429	19842	27958	28461	27840	29326	25645	26196	21522	30606	13874	13177	10904	10037	16404	16031	17919	18643	10666	9927	8789	10192	18475	27713	12302	12704	11800	11625	12733	14322	15327	15043	15085	15568	19624	19197	11841	16427	8933	9051	8075	1	9900	9586	14343	15951	16526	17044	10843	11160	16371	16759	17253	20756	15920	16086	16135	17478	11050	10963	11935	12416	16014	16162	9284	9113	15391	14179	11703	10373	9725	9990	12355	14040	8597	8742	10889	10502	8167	8014	12331	11723	13290	12018	7411	9124	11809	15576	14855	17255	12047	14381	9540	9556	10883	9103	13681	10362	11762	8874	10403	10240	9603	8822	8920	11192	7845	7314	7544	7264	15530	14180	15897	14359	13484	14466	16732	16131	18992	19226	15275	15234	8662	10675	13611	11962	6160	10217	7971	8883	13305	8463	18444	19224
1090.519@4.526344	5312	5176	11789	12180	9270	10996	4387	5409	13037	13616	8850	8687	9540	13870	11316	11520	10198	12188	11812	15166	5848	5726	1	5090	7706	6173	7110	8502	3921	1	3178	1	12483	11361	1	5247	5022	1	6598	6731	7167	6955	6446	6842	8352	8653	1	7538	3857	1	4008	4134	4654	1	6889	7646	7871	7617	4718	4825	5914	6644	8683	9709	7275	6555	7039	7700	1	4049	5548	5286	6522	7332	4722	4987	6565	6184	4820	3929	4557	4508	7026	6398	4020	1	5233	1	3977	1	1	4645	6262	5973	1	3532	6907	7423	7334	1	6213	1	4727	3966	5508	4124	5941	4749	3980	3600	4882	5530	1	4343	4617	1	1	3300	1	1	7975	7042	7026	5809	1	6201	8298	7095	8384	7225	8049	7197	4220	1	6458	5178	1	3987	3021	2850	4697	5358	1	7897
858.5246@4.553224	22434	25273	34288	34050	51944	58924	22181	21443	70766	63004	51263	52654	39012	39422	39412	41385	58986	54062	77961	86539	26870	31983	21725	20868	46021	39591	29258	31674	19041	19262	23824	26759	47983	58275	20983	13867	27171	31285	47904	43051	23081	28191	38847	40511	37610	36626	27897	37085	24168	23221	20019	19122	33258	36567	37645	38644	31001	35109	20528	20899	31305	28405	26992	20391	39012	39734	61448	59240	15335	18526	15986	17441	1	43651	19236	19712	32329	31539	20136	19017	17690	15404	29798	29042	22365	22328	18585	20330	21229	20681	25388	24646	22257	23013	12815	13192	24364	32308	49685	42921	23267	22098	15317	16303	25203	23263	42713	38944	30983	27612	19775	15633	16606	16329	19983	20646	17075	16405	18028	18362	24100	24841	23140	21966	33736	32666	42384	45847	17454	19362	16336	14401	26003	23556	30999	30594	24462	25921	27570	28062	31949	29092	56608	54923
926.5115@4.5524344	1	1	1	3361	5743	5569	1	1	8283	7485	5136	5103	4363	4482	4457	4146	1	6155	10021	10564	1	1	2484	1	4562	1	1	1	1	1	1	1	5732	5596	1	1	1	1	1	4733	1	1	4346	1	4385	3692	1	3274	1	1	1	1	1	1	4111	4143	1	1	1	1	1	2550	1	2838	4315	4683	6921	5584	1	1	1	1	5182	4709	1	1	1	3438	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3667	5268	4246	1	1	1	1	1	1	4717	3917	1	2565	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3745	4820	4932	1	1	1	1	1	1	1	1	1	1	1	2275	1	1	9031	6256
841.5225@4.552428	1	1	4577	4091	3024	1	2939	1	3127	1	1	1	6477	5610	5127	5394	5875	5497	6908	7190	1	1	4341	4958	3640	4146	4560	4134	1	1	1	1	6921	5522	1	3927	5986	1	3870	1	3230	3052	1	2728	1	5359	4547	5689	4860	4386	1	1	1	1	1	1	1	1	1	1	3690	1	6507	6083	1	1	1	1	4391	1	3873	4141	1	1	1	1	1	1	1	1	1	1	5415	5883	1	4560	1	1	1	1	6994	6918	6826	7483	1	1	1	3651	1	1	1	1	1	1	4045	5233	7114	4744	5768	7220	1	1	1	3548	6644	6650	7056	6047	1	1	1	3847	1	1	4858	5350	7233	6586	3311	6736	5830	4850	1	1	8755	8372	4860	1	1	1	3843	1	1	1
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))	17076	20656	28085	43881	14718	20725	18104	21831	20156	20438	22793	22427	27728	28409	28115	23343	23330	33357	42646	60639	11017	15615	26066	26210	27008	25298	25623	36738	18100	18075	11161	11711	34267	35409	33188	26569	32890	33921	21635	21275	16843	17312	17759	17601	28766	28746	31185	31059	28645	34422	14345	21080	18296	24154	10073	11850	9636	8996	11522	11174	22919	24169	33253	33198	14804	16596	13642	15147	33876	36028	25271	25333	10897	13535	9374	10587	23978	17737	16748	17538	18369	19107	29093	28382	24857	24664	14295	13955	18716	12951	34834	35002	40045	40507	14462	19869	20020	25374	22097	21080	16605	25435	18504	18385	28477	28847	31640	40606	29718	47731	18001	24432	19298	18791	35899	48452	40905	30564	13614	9824	30297	20738	21926	24184	37778	20903	37502	36798	19468	19762	27739	34814	13932	15761	41887	40874	29656	29062	8669	9491	21623	20787	13012	20351
888.5706@4.58322	16931	18615	38420	39325	28101	35242	13020	14611	36283	1	45376	57538	1	31675	1	1	68086	71493	87508	1	35226	1	1	14771	1	1	25427	31104	1	1	1	20134	64941	75057	1	29203	1	31988	29034	32035	1	1	24341	27366	47208	42428	28689	34717	19111	19889	1	1	21660	19911	1	32815	38850	35330	35329	36219	41296	43962	47220	52389	40040	40836	34703	33946	25259	22067	22895	22000	34996	27799	16465	17670	15272	20582	17375	16614	1	16772	25993	23967	21013	20825	10301	12406	14094	1	21226	16037	1	20804	14240	16542	25713	22751	23463	1	21850	20206	17570	19393	11363	1	1	1	11565	11796	25736	21894	22924	19401	20088	21041	18864	16833	22944	23508	32208	37619	23200	1	25601	23584	34521	1	1	1	1	1	18543	20547	60804	27808	1	18472	16669	1	24063	26734	50138	56831
883.4954@4.5843334	1	1	1	1	1	1	1	1	1	1	1	3054	1	1	1	1	1	5521	6973	13829	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6707	1	1	1	1	1	1	1	1	1	3378	4510	7436	1	1	1	1	1	1	1	1	1	1	1	1	1	7610	1	1	1	1	1	2829	1	7202	1	1	1	1	1	1	1	1	1	1	1	8726	7567	9324	1	1	1	1	1	12994	13785	8012	16811	1	1	1	1	1	1	1	1	1	2879	1	4491	1	8646	1	9524	1	1	1	1	9158	1	7855	1	1	1	1	1	1	1	1	1	8467	1	1	1	1	2487	1	1	8588	18345	6799	12704	1	1	1	1	1	1
815.5065@4.5839047	5110	4753	9325	8882	7059	6908	14075	14484	15779	15290	9497	22866	8918	23928	7892	26059	34174	24248	33988	32196	1	1	9617	21271	10094	25858	16356	21917	5913	14503	3135	3803	19250	13088	19555	14352	20466	21528	23918	20727	8060	17965	20108	18525	11821	20000	13468	16963	29024	10622	4479	1	14487	18718	1	1	1	1	1	1	8902	18956	27292	29897	9191	7800	4958	13681	25728	27443	18490	22555	3684	1	1	1	6938	7420	20825	18889	5716	6750	19025	23276	23637	13841	1	4814	4435	1	34284	41446	18148	18751	4351	1	21643	14867	22425	20697	7366	7436	7845	7430	26836	32273	23018	12374	23126	28637	6480	6142	8185	8698	20703	15682	24286	20760	1	3538	6367	14847	15129	13777	22796	14374	23148	22155	5000	1	34727	8636	5611	1	49066	47448	15829	14424	4171	1	27481	11602	6111	5326
747.5189@4.58464	110713	29881	50789	153829	40136	39226	25877	27783	38919	105412	97822	123657	46938	159816	47655	47640	81306	79128	234201	238478	23536	23712	46915	107444	56933	56457	102678	116322	78639	33700	58555	75036	69471	69588	106257	88712	145374	90063	54540	140397	76998	87484	116477	119208	49653	50611	60022	75864	57822	63253	49479	64973	103228	123071	23881	25028	21976	87121	42588	64799	87124	48977	136740	134993	62919	44603	64216	81100	128953	129195	99032	49431	21045	23064	12563	13658	34850	36521	38636	38559	33662	100392	110826	136175	80798	59636	25760	24050	61934	99751	232781	209255	231700	98270	23049	24339	111026	40463	128968	114895	38581	38563	41864	43525	155956	163128	65139	64717	154769	138283	37787	39148	44996	45780	68126	136912	123744	125309	59845	59844	33389	34979	30379	78196	119959	30753	136864	150765	29914	29480	45603	43040	84373	31709	103488	289672	80228	80084	23567	24530	185629	54857	31941	34376
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))	29207	16423	53738	38439	38817	32281	13121	15153	39381	36588	14990	31835	47190	47375	47166	45858	62717	74343	88533	69739	16386	18350	44575	31229	52464	63839	40457	41215	23378	39331	20632	15038	57292	49675	24178	35024	38101	20998	36690	33911	31831	33330	25570	37020	50248	54056	47684	52285	39967	30960	1	1	27793	24687	27437	26248	13933	26811	15900	16698	32861	33347	48739	49116	17844	13792	21673	24677	28481	30702	30994	35340	26026	22191	10917	15714	27000	22078	34119	8075	18597	20555	38339	48248	34032	36739	28819	31504	22495	25286	56727	53130	87782	90869	16769	20989	34896	21049	28922	37329	32842	24346	33257	34086	44606	47747	56894	42905	47406	29259	40140	28889	39826	29514	62770	49205	1	44837	18067	16728	19023	28733	19004	21564	31617	40804	50408	46943	20707	27851	38969	33031	29519	25406	78342	73173	1	34488	17507	22168	37722	50917	36740	23208
PI(18:1(9Z)/18:2(9Z,12Z))	26449	25216	1	16916	18639	14620	11489	11779	13393	21140	48902	47075	24249	24118	32316	28169	26572	26306	48255	47926	21200	21450	12614	17592	1	25912	22287	14170	1	15354	13625	13444	52569	51055	25055	24527	13572	11549	13194	17924	16758	18868	17471	24070	44324	48507	26703	25183	18495	46376	8551	7201	7938	12580	19834	18731	12603	16204	34746	33094	16218	15334	19079	1	21061	22983	31216	29620	14953	14932	17430	10162	47761	49399	16111	15516	11390	11258	10048	7272	9146	9961	1	12778	15306	15650	10659	13612	9035	9959	20331	20953	20115	12824	12622	12015	19046	11967	16282	19548	7770	15819	12073	12188	1	10770	9271	15941	9010	14048	20473	20744	13313	15587	22321	21031	14761	16154	18514	18002	18462	19527	10974	14177	32487	32498	44249	41661	13718	16743	15145	15890	14017	13878	21204	1	19012	16159	7225	1	10597	12494	30540	17796
789.5283@4.6048827	1	6719	11299	1	8822	9482	1	6071	1	1	20222	20123	7872	8170	12174	11373	10547	10413	9231	8817	4306	1	8108	1	5991	6195	8108	8820	5043	1	1	1	18263	19231	9413	9751	8391	9230	9093	9376	1	1	3934	4171	11265	10653	9079	9580	6927	9070	1	1	1	1	4633	1	1	1	1	1	1	6584	1	10781	9463	8370	8081	7794	10364	10449	9783	9259	3511	4543	1	1	1	4478	1	1	1	1	6692	5967	1	6094	1	1	1	1	9105	8316	1	1	1	1	13256	7296	6381	7094	1	1	1	1	5245	4911	17684	18076	13900	13161	1	1	1	1	8362	8834	9619	8098	1	1	5223	5727	6400	6319	5697	10137	7940	11622	4691	18313	3255	4417	1	1	1	1	1	1	1	1	2689	1	5379	5745
PE(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13754	14022	11490	12178	1	1	7912	7146	9859	9411	1	1	5958	4090	1	1	14092	15062	6906	7668	28477	27869	8766	9175	1	1	4195	4817	10117	9183	14446	26655	27224	46518	1	1	5253	5808	1	1	1	1	1	1	11060	11348	10512	10200	1	1	4098	5270	14261	13474	13412	10224	1	1	1	1	1	1	6257	6888	1	3582	5507	4670	19673	57763	1	1	1	1	22865	21026	36173	36571	1	1	6075	5582	10444	10696	5409	6890	6134	6470	14441	14173	14277	13383	8362	8235	3538	2990	1	5388	12825	10704	15921	14739	1	1	1	1	1	4873	6000	6567	14863	13117	1	1	1	1	1	1	47539	45026	47050	46901	1	1	11887	11929	1	1
737.5344@4.615539	1	1	5389	4785	1	5907	1	1	1	1	1	4001	6946	7144	4515	1	6924	1	7081	1	1	1	4866	1	1	7878	1	1	1	1	3313	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3403	1	3302	1	1	1	6522	6030	5605	1	1	1	1	1	1	1	1	4812	5141	4256	1	7181	1	13654	1	1	1	1	1	1	5796	1	1	4721	7602	7155	7157	6174	1	4302	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6038	1	7777	6669	5444	4412	1	1	1	1	10302	10506	7487	6109
723.5188@4.6162186	50796	51588	92245	93134	86825	91301	36016	25156	57939	56401	60519	60177	72609	70990	57807	59756	89836	85441	103341	103884	44150	41806	55117	53605	91157	86174	31034	46421	31015	22278	30802	28185	1	1	32691	32090	68459	1	42768	43318	57592	57270	56662	60168	26218	36078	24826	17706	18937	1	25257	25405	48834	47760	42138	41549	34702	37001	17547	11129	1	1	46791	45987	16258	19311	23364	23120	57930	1	43744	1	54697	54604	20641	20781	68324	69477	71256	71533	47914	49955	76940	71792	1	1	30664	1	43112	44775	84668	98333	131793	1	48137	37536	52710	53949	54746	53154	71274	67294	84726	82589	67872	72378	78004	81100	54177	55313	84091	85511	129610	127480	41610	37134	1	38858	30888	32313	53994	54372	40788	42667	44452	44547	41740	1	60315	59778	76447	77977	49122	46442	48786	98826	1	120017	48561	50258	106704	107487	60143	56406
751.5497@4.6227536	61915	74759	152609	113891	134826	1	30542	53222	77342	66770	26283	78484	123547	97551	50837	111888	120690	138860	167238	168739	62238	54794	44844	61180	171714	162614	92358	63129	58938	69037	43419	42559	56836	68772	29745	42154	56319	35395	34282	29537	64496	61140	89049	67499	43062	1	43151	27612	25600	1	38801	42530	52425	1	72471	60562	80900	58123	16978	15050	35617	53481	43595	45689	23670	19513	26180	43744	33537	51614	1	41187	99633	98311	24902	1	126081	70525	68736	80779	35066	72184	1	91911	46998	1	72822	52607	1	31883	1	121593	85952	152657	94289	24530	1	56980	51838	1	93497	90438	45577	96015	88557	111631	79569	122630	88346	89293	96564	64997	81756	121875	71870	70101	21567	42999	47273	18128	41497	60630	46950	1	59776	1	45779	58655	1	60084	70066	121179	68288	96857	125254	1	1	98718	39702	69804	1	164556	101497	96290
862.556@4.6220565	1	68336	73164	73102	58745	56109	39603	36871	81650	84454	151091	161869	98573	92217	104594	89502	1	1	1	163400	57511	70523	1	61443	87497	1	66580	97971	1	57036	43817	40942	158044	159146	1	84008	47512	1	57597	40510	71030	92674	71262	90037	183949	142081	93619	94640	71284	1	43771	17232	47151	45657	70835	68133	58414	92243	120748	100693	61905	67369	79118	76008	83239	1	1	1	60378	49389	53318	61220	1	209173	1	62610	41870	51733	28778	34767	27481	1	59399	45970	58716	51853	41681	48365	31233	35632	54334	65618	67141	67135	45051	22447	1	51624	58998	60379	53401	44293	23993	42258	41000	39791	43540	54913	24165	42872	70541	79849	49610	39326	88102	92777	62338	1	59204	72759	73329	91662	62189	57256	104996	1	121444	120670	71428	74795	72878	75906	62286	67058	70150	71553	1	83492	29182	1	35327	28097	103709	100367
887.5315@4.6322856	1	1	1	1	1	1	1	1	1	1	1	1	3724	1	1	1	1	1	1	1	1	1	1	1	1	10140	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10943	1	1	1	1	1	1	1	1	1	1	1	1	5202	1	1	1	5234	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4246	1	1	1	1	1	1	9970	1	1
777.5648@4.6281314	9981	15867	16581	16576	1	19643	1	5720	1	1	1	9138	14092	1	1	1	1	23718	9234	18082	9969	11829	1	1	18951	1	11893	11011	6577	10788	6174	7911	7955	1	1	1	12655	1	6648	8609	8343	11381	1	13446	11645	14208	6761	9366	7665	5584	1	1	1	1	1	1	1	9502	3630	1	8891	6474	6488	1	1	1	1	1	1	1	1	6161	8660	10133	1	1	8138	8099	1	1	5086	10220	11702	10833	9859	5968	5080	5061	5751	6456	14907	13835	18209	1	8837	11320	1	8665	1	1	1	11617	1	1	1	1	1	10980	6822	9631	1	12820	1	13249	1	10786	1	1	1	1	1	6719	4960	1	8633	4846	1	6363	9769	14319	7872	8208	11435	9252	1	12784	7484	1	7195	7944	1	16139	9343	10202
791.5425@4.6307926	1	15933	62604	57691	29363	24183	13597	17177	14796	15369	24900	52186	38691	33474	38325	33754	56182	56653	58464	54014	17199	14277	14294	14649	19179	1	31137	33439	22426	22897	1	9280	48705	56909	28489	31337	31193	27200	26681	27968	13334	1	20212	21107	20859	31068	31621	33644	22714	22321	10078	7290	14235	18853	16950	21318	10766	7446	6962	7282	36469	39577	49371	48809	30194	22914	24663	34156	26071	27199	1	27650	19126	18347	9207	9766	1	1	13840	1	15887	14946	25866	25302	14157	13930	1	1	1	1	24136	1	1	1	1	1	23387	27365	25131	25846	1	1	1	1	1	1	35079	35281	24654	29249	1	1	1	1	1	24750	20982	1	1	1	22617	22517	17164	18627	1	1	21407	18850	15983	9071	1	17730	11530	15963	1	1	28022	31811	16066	16293	1	1	33792	34295
819.5372@4.623701	11096	9122	18855	14470	26537	23263	7883	6808	8550	12896	1	8013	15585	20639	15035	16066	1	1	30287	24441	11992	1	3613	15655	31344	1	11584	14538	10674	7745	1	8088	1	12047	1	7076	13726	1	9735	1	14944	5374	8612	12078	10820	6061	1	1	1	1	6884	7036	10404	1	8738	12019	1	11578	1	1	5955	8324	9346	1	4770	1	1	6360	7787	1	1	7249	17423	14779	4324	1	19912	1	15832	10092	12305	14676	12810	1	6635	1	11142	1	14225	8894	6156	18152	33251	33145	10352	16104	7634	10271	10055	7676	16045	12371	5057	1	15869	20267	20744	18064	16683	11080	11707	13805	20343	7321	12351	9349	1	9704	1	5634	1	10893	1	6919	8039	10284	8160	7646	1	9157	14835	14305	1	17659	1	1	13281	13010	7191	6425	11420	32245	13594	17640
899.4906@4.6377587	1	1	7635	7578	1	5905	1	1	1	1	12703	12658	4045	6100	9281	8483	10203	8940	7125	10186	1	1	1	1	1	1	1	7144	5378	4977	1	1	12675	9379	6588	1	6265	7448	7413	8086	1	1	1	1	6662	7312	1	6664	1	1	1	1	1	1	1	1	1	1	1	1	6286	7828	8453	7173	4305	7036	8873	9726	6491	6682	6558	6782	1	1	1	1	1	1	1	1	1	1	4062	1	1	1	1	1	1	1	1	1	3070	1	1	1	6319	1	1	5908	1	1	1	1	1	1	8544	6106	7305	8082	1	1	1	1	1	4669	1	5554	1	1	1	1	3568	4606	1	1	1	1	1	1	1	1	1	1	1	1	8021	5140	1	1	1	1	3559	5003
PE(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))	63149	85422	110014	109464	98721	96221	42570	51948	51370	48765	151662	154034	101518	101453	131283	133156	108447	111353	96459	94600	63410	49835	55218	57688	60199	68059	87025	103127	63809	67361	24360	26283	157914	161567	84424	93402	86031	79285	103485	101435	49455	46970	49421	51939	109059	95143	84390	94867	52048	56111	31981	31300	32371	43735	57685	68807	17258	31941	12472	12482	87488	54444	101751	96597	84610	76231	121705	107166	73390	72575	77002	81004	45015	46330	26176	24767	64663	65003	40937	40585	37553	42028	66218	63512	45454	39057	22508	25439	29470	31647	72896	62194	59255	62071	10391	10493	71974	70800	66612	58483	23187	22627	14773	19914	46549	51197	109827	110052	84291	104276	15308	29275	29972	25187	62456	57357	62456	63135	15799	13473	66592	62959	74808	68662	34947	58939	55524	68259	44491	36627	45711	43397	18651	26808	60590	53626	85013	101498	32301	34022	37941	30910	73308	79271
831.5019@4.6378393	13861	12410	17533	18381	16234	17073	7124	8027	9130	10105	29032	31760	17091	17071	21723	20955	21325	20349	21729	20715	9676	10413	11245	9797	11476	13184	17118	20536	13089	12523	1	1	32789	33674	18016	16742	16426	16184	18908	19749	9378	9652	11972	11761	14524	18973	17955	17168	10568	11900	5039	5747	8964	8764	11233	10613	5086	6200	1	1	18463	16994	19376	19272	14719	15623	21347	22700	16504	15100	16897	15472	9078	7567	1	1	12037	11479	7778	8452	7013	7687	12449	13213	8658	9032	1	1	1	1	14162	10916	12418	8577	1	1	13973	15351	12614	13456	1	3109	1	1	8182	9034	19700	22787	19560	19057	1	1	1	1	11116	10826	12408	12623	1	1	11737	11351	12840	12298	10794	10617	9642	12641	3177	1	1	6436	1	1	10759	12038	16466	13259	3377	5563	1	4650	15316	16550
725.5341@4.6701584	11332	9232	20951	17304	19369	16710	10281	8983	11736	6699	19169	17423	24023	23229	21543	19690	20855	11288	47096	13578	12649	12558	7857	17191	22854	23691	17436	16869	1	1	11259	1	15934	19259	8921	1	14083	12455	15348	9674	10027	16465	18126	1	20652	18024	5244	6474	8975	7968	1	1	10800	14125	17832	15006	16408	17827	1	15773	5927	1	13807	11422	1	7305	10614	4930	11359	12702	1	8984	1	12098	1	5571	6869	8020	12553	10364	9029	6981	1	14760	7376	11431	10372	11641	14125	9633	17807	18428	32888	1	18103	19624	13723	11935	19851	17099	11622	14801	7823	17355	23020	23842	19058	20391	18811	8320	13515	23084	31334	9475	17589	16500	11511	7467	12675	9716	16120	1	13938	9740	19163	5206	18940	16817	10863	13725	17669	1	16197	18669	25940	17870	15977	15941	8365	8703	22159	1	20516	19423
767.5448@4.665649	68611	93802	133710	138131	116646	123303	56426	55741	87977	85442	116566	118220	114682	120501	135877	134556	107533	108260	101635	99758	69181	67331	49665	47365	73809	72294	94590	90990	60007	61504	26723	28558	104012	102719	33978	1	50414	39752	55407	56602	47520	31998	59347	55290	77486	71794	32159	35727	19288	25506	20940	18574	1	17758	75915	68705	51176	52526	33038	30309	44235	1	68802	1	60639	1	84136	74177	48113	36548	1	52138	57132	66373	20867	33132	68128	70879	44334	40277	37312	40768	60700	56447	14537	1	19843	1	34053	32426	36436	41489	47947	39389	13925	12349	71764	75230	56226	51138	23790	26223	10429	20004	33874	34785	44149	60894	49584	51341	44476	44742	32581	36876	25988	23599	17977	17064	18522	15620	66582	65466	56482	56947	41039	37451	43075	43538	58230	62124	52415	55034	1	33693	38089	1	66617	68406	37079	39425	47279	34649	76628	78097
739.5138@4.666686	34484	34135	37334	38006	40009	43788	19776	18681	23021	32149	57428	59355	39980	42940	45870	44259	39852	42344	42511	39507	27149	25655	21055	21030	40134	36918	35804	40298	20557	20891	14165	15962	38059	41234	22252	22793	20146	20718	34075	31065	16677	17064	23422	23786	31014	29820	15695	16721	11935	10097	10013	10795	12114	14378	29893	29827	17500	17999	7466	11638	20974	23480	25505	23531	27585	27150	51410	53308	19454	19739	19757	21065	34260	37586	9158	10688	26153	26959	17514	18166	14726	15885	23833	23248	8715	7744	13184	13371	14621	13695	18121	20490	16391	17403	1	1	28701	26853	25270	21522	9362	9629	7101	7408	13061	14423	33326	33239	23763	22865	13363	13245	10946	9792	10748	10078	8882	9816	7407	8140	25651	25482	24389	24256	21795	22232	23248	20016	15055	14965	13060	12594	1	13053	1	18629	32694	32377	15192	15071	16971	17936	34637	31859
699.5187@4.7010965	5678	1	1	7018	8916	6618	1	1	5147	4336	4684	11073	10765	9975	11185	7047	8975	10490	20582	18834	3947	5831	8331	1	14470	17906	9892	9133	5620	6403	7890	1	7233	1	1	4625	11206	9716	7451	7351	8371	5640	10159	10483	1	11719	1	1	1	1	1	1	6597	6534	10829	10073	10276	1	6714	6157	4134	1	1	6042	1	1	5849	5869	7922	1	8111	5964	10769	13380	1	1	6282	1	8796	9951	4494	4618	8877	8268	5035	1	5499	5950	1	7634	12997	14475	19838	20373	7677	8464	6655	8231	8242	1	6543	6159	7949	8491	6437	1	14104	11759	7663	6731	15841	18323	15521	21042	11804	8788	8449	8251	7477	8062	8389	10462	10811	7836	9044	5607	8350	8758	1	9041	12564	13448	1	8477	16687	16245	12213	14138	6280	6984	9132	10388	10615	10427
C35 H77 Cl2 N9 O S	12995	24297	15859	10781	17898	19402	12381	13259	9086	10867	31810	30773	13218	18123	21243	26828	7801	6134	17416	19893	16804	15841	10088	7896	15921	15405	13545	8404	5849	9094	1	9686	31583	33611	14110	13530	1	5620	16703	13555	1	1	8091	9052	33087	34079	11706	1	1	5619	1	1	1	4240	10860	12288	10331	7834	21918	22503	9955	12484	11087	10794	13449	9116	19259	13768	8568	9730	13703	1	29026	26689	1	1	5097	7550	5557	7359	1	1	9092	8495	1	1	1	4125	6205	7159	11190	11658	6554	7421	1	1	1	1	1	7374	1	1	1	1	1	2915	8671	1	8160	7851	1	8173	5207	5552	5260	4946	1	3775	4785	1	9679	1	12976	9511	15470	12546	16216	12275	9907	6659	7353	8173	1	1	7487	7433	12050	10667	1	1	5627	1	13721	19413
743.5449@4.7463264	18202	34477	29599	1	1	8359	11923	13639	26047	1	1	16879	34472	12340	22903	1	1	13587	47180	39182	18573	7073	12145	1	1	30659	11195	15281	6990	1	1	1	1	1	1	19623	8786	8041	1	1	10706	17437	1	24676	79349	76807	1	8535	1	8533	4211	5313	10705	1	24567	25154	15949	15477	23445	1	1	1	38931	1	1	9981	22060	42572	1	1	14333	17048	54583	57118	1	7275	1	11548	8004	10809	6028	1	1	12597	1	1	8354	1	11806	9742	19581	1	1	1	5894	5818	1	15387	5454	6596	1	1	1	5044	1	13769	16808	10091	8869	7574	1	1	12161	1	1	11059	1	1	8698	1	1	1	1	1	7768	23996	14355	11391	1	1	18620	13491	1	13631	15317	11183	9250	29320	1	5780	1	10787	25084	49390
C37 H75 N6 O S3	12183	19084	13780	15289	13540	17466	7288	6938	18065	17218	33396	33764	21833	20743	22742	24116	14848	16559	25874	20549	13440	12176	6447	7619	13319	17716	13180	12964	7811	7670	8026	9284	19354	26113	12606	13571	9429	8591	16303	16643	5746	6205	9840	10422	32381	28386	6507	6686	1	1	1	1	5894	6496	10337	14393	8250	7668	8092	10496	16167	16118	17488	15859	13728	11279	28758	28470	8688	7386	9958	10999	22301	22651	1	1	6856	7473	4301	4980	1	1	7283	9647	1	1	5513	4972	6129	1	7150	7314	7283	7480	1	1	8227	9227	7983	6900	1	1	1	1	1	5864	10125	8204	6896	5604	1	1	1	1	5005	5536	1	1	1	1	10413	10014	8585	8329	9583	8751	11642	11846	5507	4571	1	1	1	6096	7560	7691	14985	15464	5968	1	1	1	23917	27832
743.5453@4.7646317	22210	1	1	19129	1	1	1	1	1	1	1	1	1	27275	30109	33367	20919	18902	1	1	1	17293	1	1	1	1	1	13883	11511	1	1	11078	30502	37514	1	1	1	1	16897	1	1	1	1	1	1	1	1	6527	1	1	1	1	1	1	1	1	1	1	1	1	33860	40530	1	36463	1	1	14993	1	10499	11385	1	1	1	1	1	1	10447	1	1	1	1	1	4592	1	1	1	1	1	1	1	1	1	15443	11598	1	1	10285	1	1	10856	1	1	3919	1	1	1	1	1	1	5508	9499	1	1	1	1	1	1	1	1	6633	1	13045	11030	1	1	1	11978	14724	1	13374	1	1	1	1	1	1	16529	1	1	1	1	1	28554	1
897.5632@5.248	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6012	1	1	1	1	1	1	1	1	1	1	1	1	1	1
180.0634@5.2731194	1	1	1	1	4594	1	1	1	4491	1	1	1	4217	5111	1	5511	1	1	5704	1	1	1	4631	1	1	7638	1	1	3555	5468	1	1	1	1	1	1	1	1	5279	4072	1	1	6116	1	1	4896	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3789	1	1	1	1	3646	9254	4276	1	4299	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6806	1	1	1	1	1	1	1	1	1	1	1	5069	5855	1	1	1	1	1	1	1	1	4092	1	1	1	1	1	1	1	1	1	3531	1	1	1	1	1	1	1	1	1	1	4608	1	1	1
875.5667@5.227835	1	1	1	5795	5149	1	1	1	1	1	3018	6085	1	8540	9754	10617	7513	4504	1	1	1	1	1	5696	1	11865	5882	1	1	5700	1	1	10981	13621	8352	8981	5116	5318	4417	4535	1	1	6435	6449	1	15842	8743	9797	5739	4371	4501	1	4836	4801	6858	1	1	1	1	1	1	1	1	4559	1	5790	5412	1	1	5674	1	7040	1	1	1	1	1	8644	1	1	7552	5814	6814	6509	11452	1	1	1	1	1	7085	1	1	5983	1	1	6611	7015	9028	8435	4472	7911	1	6797	1	1	10394	8155	11748	12577	5324	1	1	1	10258	7862	1	10244	1	1	1	1	5144	4874	11849	13274	12459	1	1	4048	1	1	1	1	5469	6049	1	3191	1	1	5031	4713	4171	5238
835.572@5.2667856	1	1	1	1	1	1	1	1	1	1	1	1	6104	1	1	1	6102	1	6689	1	1	1	1	1	3536	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3515	4498	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8279	6286	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8513	1	1	1	1	1	1	1	7911	1	1	1	1	1	1	1	1	6667	5483	1	1	1	1	1	1	6127	1	4557	1	1	1	1	1	1	1
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)	5244	1	6916	1	1	1	1	1	1	1	13552	14119	4596	6647	10977	10384	16981	17892	14179	15133	1	1	1	12830	14295	14780	9811	11653	10812	9824	1	1	25759	27180	12511	1	8544	11281	8999	15389	1	7989	1	1	8149	18805	1	17202	20464	20477	5939	1	9037	8974	1	1	1	1	1	1	13665	13438	12855	16022	11088	8598	1	8301	1	15420	16563	18083	1	1	1	1	1	8665	7568	7870	7695	9767	10928	11619	30196	31335	1	1	1	1	13288	12735	10566	9547	1	1	13277	9548	16714	19242	8769	8655	7598	7355	1	1	30360	22477	22946	25727	6225	6563	1	1	14976	22436	19198	20025	1	1	7822	7950	8401	8202	14913	14121	21133	19089	1	1	1	1	1	1	18095	14457	10616	10358	4038	1	1	1	1	6819
877.5823@5.269858	14033	36931	40057	17769	10310	36631	13581	39749	9764	1	1	50470	20369	10521	1	10201	1	32226	33112	21624	13737	1	20448	12853	22997	1	40739	17461	17283	19454	10133	20700	75640	1	1	1	12171	23011	15521	18242	16622	28522	7919	16355	13242	39124	36263	25190	17461	18447	10281	12063	9810	15328	13937	8887	10299	10259	1	1	19742	9039	14767	8422	20808	13607	9446	9716	37997	36598	1	34965	1	1	6013	13098	14677	25042	9578	6838	1	17655	15010	35120	24036	37123	7807	1	13094	17462	12894	29303	18684	25506	8805	1	16418	23423	18443	26916	30325	27120	18919	21155	4424	10464	37550	11292	49584	51275	18985	30901	1	6088	50128	53158	34842	45442	18718	10279	9031	12410	14419	24255	35176	26306	16230	34649	13611	1	24331	19688	1	1	12352	13122	15613	1	6557	6959	1	9831	11578	7981
1056.5326@5.286143	1	1	1	1	1	1	5041	1	1	1	1	1	1	1	1	1	14641	10781	1	1	1	1	1	5486	1	1	1	3079	4667	1	1	1	1	7523	1	3792	14417	1	4573	1	1	1	1	4593	1	1	1	1	1	7126	1	1	1	1	1	1	1	1	1	1	1	2833	1	10283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4468	1	1	1	3834	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7138	1	1	1	1	1	1	1	1	3128	1	3093	1	1	1	5643	1	1	1	1	1	4753	1	1	1	1	1	1	1	1	1	1	1	1	1
865.5881@5.312962	1	1	1	1	1	1	1	1	1	1	5043	4391	1	1	7377	1	1	10584	1	7850	1	1	1	1	1	1	1	8271	1	1	1	1	8319	10504	1	1	1	1	1	1	3906	1	1	1	1	1	6553	4645	1	1	1	1	3730	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8082	7781	1	1	1	1	1	1	1	1	1	1	1	1	6711	1	1	1	1	1	1	1	3839	1	4443	1	1	4584	1	5798	6392	4084	1	1	1	1	1	4721	4625	1	5189	1	1	1	1	7703	6496	1	1	1	1	1	1	1	1	1	1	4996	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
823.536@5.2895722	1	1	1	1	1	1	1	1	1	1	1	4926	1	1	1	1	7196	1	8654	8304	1	1	1	1	1	1	3718	1	1	1	1	1	4804	4814	1	1	1	1	1	4779	1	1	1	1	1	4832	8296	10434	8146	3940	1	1	1	1	1	1	1	1	1	1	1	1	6141	6117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17600	12326	1	1	1	1	1	1	1	1	1	1	1	1	5650	6928	1	1	1	1	1	1	11343	7237	4674	7991	1	1	1	1	5567	6411	5274	1	1	1	1	1	1	1	1	1	5200	5117	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
879.5975@5.3175573	26257	1	44584	43996	90185	23343	13959	1	32985	10859	26832	1	1	1	45989	31055	155662	93706	1	1	1	22366	31223	1	23176	16796	1	1	27765	43947	1	9049	1	53617	35146	20445	45122	42518	1	16809	1	21439	1	21985	33989	1	55425	72455	1	37730	1	1	67465	17488	1	10721	17341	1	16621	1	26628	38143	1	40586	1	29160	23058	15433	20752	38480	6241	15722	1	1	16949	10547	11916	1	1	19830	16805	22669	1	52842	1	36942	10641	7509	6472	1	21496	30375	1	1	17063	1	1	1	17871	1	1	1	10140	20039	22168	15229	1	49467	1	33018	1	13149	17791	1	1	59885	42527	1	1	9816	1	1	20676	18059	1	11341	1	52035	27306	13926	1	29432	17125	20659	45743	1	33572	12464	1	6371	27059	11912	1	1
1191.5059@5.288182	1	1	4560	6013	7557	1	1	1	6850	7301	1	7425	6858	1	1	3136	6004	8985	7612	1	1	1	1	1	1	1	9165	8132	4219	6498	1	1	1	6739	1	1	6654	8714	1	1	1	4008	1	1	1	1	10017	1	6269	1	1	1	6971	1	1	1	1	1	1	1	4891	1	1	7737	1	1	1	5062	6801	6441	5259	4784	1	1	1	1	7409	1	1	1	1	1	1	1	6005	5770	1	1	1	1	1	1	1	1	1	1	1	4258	1	1	1	6363	1	6486	3378	1	1	1	6369	7295	1	1	1	1	8512	1	4760	7880	1	1	1	6761	1	1	1	1	1	2981	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2775	1
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C24 H35 N10 O	8225	8325	7871	8137	11267	12902	6558	7536	9385	9033	8694	8261	1	1	1	5859	4277	1	1	1	9662	9217	11158	10699	9962	10863	8983	8878	1	1	10279	10940	11727	11967	11090	9852	1	1	1	7145	1	1	1	1	20535	17810	8416	7981	12613	12302	1	1	9722	8339	5857	6216	6308	5914	15559	16865	1	1	1	1	7863	1	14335	15138	1	1	1	7448	15900	16768	1	1	9159	10139	13927	13749	1	5869	7509	1	1	1	10325	10632	11354	10132	11095	11824	4869	1	7580	1	8127	8414	1	1	8472	7469	6634	6532	1	1	8499	8367	7906	6748	10182	9633	7002	1	1	7157	6531	6343	12513	11055	7141	1	7837	8238	13826	15072	15880	16791	10009	8550	9229	9481	1	5513	25369	24618	17307	16599	5494	1	11034	11502	9046	9210
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1076.5225@5.55992	6138	4690	4364	1	5384	1	1	3993	1	4932	1	1	1	5895	1	1	1	1	1	1	5577	1	1	1	1	1	9236	1	1	6537	1	4655	4419	4935	1	1	1	5875	4078	1	4203	1	1	1	4190	7272	1	5774	1	1	3938	1	1	1	1	5787	1	1	1	1	3765	5565	1	4587	1	1	1	1	8086	3388	1	1	4992	1	1	1	1	1	1	1	1	1	1	2975	1	4268	5990	1	1	1	1	1	1	1	1	1	1	4674	4920	1	1	4571	5912	1	1	1	1	7028	5420	6307	1	1	1	4460	1	1	3750	1	1	1	1	1	1	5590	1	1	1	8621	2627	4874	1	5136	1	5129	1	4648	1	8320	1	1	1	1	9516	6371
787.5715@5.487766	2003	1	1	1	1	5393	1	1	1	1	8164	5575	8328	4885	6222	8482	1	1	11370	23265	1	1	5209	7853	9672	1	11593	10590	5006	4629	1	2594	6297	1	1	4853	5689	5769	1	1	1	7598	6333	1	1	1	6963	1	1	1	1	1	1	1	6132	1	5834	5571	4681	4489	1	1	1	1	1	1	1	4382	8276	5031	11638	4109	7684	1	1	1	1	1	6870	1	1	1	3814	5097	1	1	2518	4718	1	1	1	5571	1	1	1	1	2731	1	1	1	1	1	1	6152	1	1	6597	6212	8316	7300	3912	3142	1	4450	1	6410	1	1	1	1	4977	3864	1	2400	1	5337	8433	1	1	1	1	3128	5751	1	11518	5582	8606	4460	1	1	1	1	7020	1
940.545@5.524246	1	1	1	11202	10397	5848	10109	1	1	10429	6598	15563	16293	1	15867	1	21445	13096	1	1	1	12949	1	1	1	13297	4522	4721	5669	4238	11999	7483	18185	8216	6137	1	11002	7215	4374	12477	1	1	1	13928	1	21607	1	12287	1	1	8405	9365	8321	1	7178	1	13438	1	1	12190	1	10759	12439	12458	1	1	1	1	9173	1	9007	1	10702	3925	8309	7340	1	1	1	4552	1	10668	10328	1	1	5977	1	14257	7923	1	4329	1	1	1	8469	1	1	7367	1	1	1	1	1	1	10352	1	1	1	9445	15719	8489	1	1	1	7692	17253	8189	1	11053	8012	10818	9749	1	1	10057	14297	1	1	6503	1	1	1	1	5729	21013	12541	1	6856	9937	1	1	17994	1	1
817.582@5.5818524	1	4612	6543	1	1	1	1	1	7037	5933	1	6714	1	1	1	8700	1	24158	8730	9101	1	4835	7217	4169	6808	1	1	13196	1	7092	4068	5053	9671	9657	6200	1	1	1	1	5217	5964	1	5192	1	1	1	6680	7799	1	4223	1	2652	1	3320	4659	1	1	8635	1	1	6926	4109	1	5561	4691	1	3969	1	7839	1	6203	1	1	10351	1	1	1	1	1	1	1	1	1	1	3692	4048	3467	7708	1	6475	5036	1	1	1	1	5475	1	1	4634	1	1	5528	1	1	1	1	1	5065	1	2939	1	1	1	1	1	1	1	1	4502	4085	4972	1	1	1	1	6125	1	5595	1	3038	1	1	3487	1	5140	5357	5525	6571	1	1	2921	1	1	1
Arg Arg Phe	17069	18955	12784	14705	19320	20142	15792	15196	19392	19220	16103	18811	12999	13523	12914	14275	11323	11582	14748	16385	21953	22331	18481	17332	16310	16594	20304	20355	10918	10222	22745	24001	24404	22604	22233	19760	9294	9026	17707	17396	9198	9175	10262	11572	56106	58148	15557	16381	14134	14874	14369	13128	21821	23080	14087	14343	15129	16610	29172	27607	9850	7942	10303	9482	19306	18922	35059	34634	9822	11084	12632	11816	28627	30215	7565	1	14108	12968	16909	15536	12498	13069	13525	13695	10428	11733	24056	23318	19945	20970	17411	17492	8460	8327	21598	22239	15335	15779	16588	14343	16137	16319	13559	14330	7690	7772	14384	13986	11879	12401	14606	14620	14146	15602	14242	13326	15534	15356	27549	27607	18149	18352	19140	19353	26053	28366	28758	29035	15323	14683	16696	17338	14812	16117	28893	29499	16925	16075	12139	11407	14238	13154	24279	22761
872.5579@5.591839	1	22618	1	12313	1	15655	17570	1	1	37061	1	27290	1	1	28185	31899	1	35737	1	1	1	1	18061	1	1	1	1	1	1	24077	18209	1	26198	1	17777	20160	21752	17740	1	19146	1	1	1	10922	33117	40372	1	26766	1	7023	15167	1	1	1	26692	1	1	23252	18358	1	13654	1	25421	1	1	1	1	22311	23086	18095	12422	15002	13758	24463	1	1	23996	13949	1	1	1	15770	1	1	1	1	10505	1	8829	1	1	1	1	19987	1	1	1	1	16790	17693	1	1	14874	12537	1	13553	1	1	1	9118	1	14741	18434	1	20954	1	4410	10789	1	14338	1	1	1	14106	1	1	17505	1	20712	1	14088	1	17788	1	1	1	1	1	1	1	21800	23457	29603	1
777.5503@5.602474	4622	1	4514	1	13767	9676	1	4021	8127	5822	20339	1	1	4734	4443	1	1	1	18655	36290	4646	1	7899	7955	15293	1	8483	16468	8094	5805	1	1	6386	5939	1	1	10626	9073	14209	6024	1	1	3046	1	1	1	1	7728	6570	1	1	1	1	5131	8401	10227	6143	6119	1	1	1	4537	7883	5103	16775	18483	15052	9326	3777	1	1	4613	8374	7444	1	1	5138	5272	1	4430	6184	4583	7922	6873	1	1	1	1	1	2046	1	1	1	2230	1	1	1	16063	10696	14775	1	1	1	1	1	1	13950	13904	8579	6461	1	1	1	1	3568	1	1	1	4237	1	1	1	6299	1	8348	1	9359	9395	2594	3610	1	1	5080	1	7853	8956	8196	12565	11473	1	1	6589	7231	8790
1007.5294@5.58382	1	13508	19547	7957	9522	17636	12366	13147	17322	10349	21153	21552	21678	19099	15218	33348	27408	38347	15251	9704	12123	6866	19865	16634	23972	17396	19221	28690	11933	14931	18601	16099	30379	14520	17362	32974	18611	11084	30386	15288	14533	11388	17761	22152	24644	1	8028	6985	11113	12464	18514	14518	16428	10693	31510	18263	11322	12579	13878	26490	16094	13795	7735	5760	14732	12951	4994	12762	4468	10644	18009	9738	17740	16637	4404	10548	10935	11460	12292	13280	10380	18267	19792	12095	12668	17230	14413	14378	17513	17959	5037	14370	13870	20237	9703	10487	13045	11498	18581	5231	15704	10042	14104	19509	12819	11786	18401	8925	1	8798	1	21154	12971	15367	21536	13403	16630	10027	16723	12669	11210	27070	14553	11196	24462	7876	23139	16126	16980	18768	9244	14101	10478	13042	14404	18349	14904	19904	17276	13033	1	13814	21049	14103
453.284@5.610459	1	6030	1	7851	9999	9014	1	1	6065	1	8732	1	6230	6481	1	6646	5231	1	7324	6762	1	1	7686	1	6207	6908	10477	10359	6188	1	1	1	11353	12139	8629	9130	6105	6793	9273	9686	1	1	1	1	10168	11324	13787	13837	9078	9809	6672	1	9643	9949	1	1	1	1	1	1	1	1	1	1	11043	11196	16024	16220	5542	6930	8144	7421	13173	11445	1	1	5920	1	8051	10035	7798	7626	9451	9154	1	1	7480	7005	5679	1	8295	7504	1	1	1	5733	9871	9943	11330	11482	1	1	1	1	5916	5995	12454	12201	1	10352	1	5957	1	1	11729	11237	8445	8007	8799	1	5843	5361	9022	8395	7553	1	11611	12533	1	1	1	1	5134	1	11409	11024	1	7268	1	1	1	1	1	6927
899.5853@5.6251245	10122	1	10642	11675	12205	13781	6491	1	7664	1	13913	10426	14272	1	20748	15207	16339	9969	9688	12271	9797	8938	16141	9448	13827	8617	20532	15435	6556	11775	1	11266	19231	12507	1	7086	12004	1	7256	4094	9089	11493	12000	10336	12714	1	9604	11543	5228	1	5994	7604	8068	7945	9025	1	7920	7951	15939	15361	4381	10378	7033	9388	1	9475	5535	5609	8001	4169	1	6244	14945	7284	5697	4075	6973	3803	5737	6128	5940	5145	10032	1	5826	3078	7685	8112	4293	8185	11222	6566	1	4404	1	6629	9124	9953	8698	1	7924	10754	8329	5743	3913	6022	6581	10752	8357	12603	11113	11949	4988	7694	14938	11918	6650	9692	6513	8043	12187	5301	7376	5650	9227	10678	15578	7104	1	12235	1	8434	7018	9379	1	9005	9454	1	1	1	8798	11133	13498	19820
940.5455@5.597103	1	9486	1	10849	1	20288	1	7741	1	1	1	1	17000	1	1	14589	1	1	1	1	8568	1	14552	14645	1	23338	9054	1	1	1	1	1	14117	17977	1	1	1	24143	16946	1	1	1	1	1	1	1	17385	1	1	1	1	1	1	1	8490	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8926	10675	1	4693	4870	1	1	8160	7994	1	1	1	1	1	1	1	15736	10811	1	11347	1	1	1	1	1	1	12322	1	1	10634	1	1	1	1	10886	1	1	15367	12665	18422	1	1	1	1	1	13049	1	1	1	1	7757	1	1	1	1	1	20279	6969	1	1	1	1	1	1	1	1	11236	1	1	1	9701	14562	1
871.5542@5.5751367	46540	114737	25281	70060	35667	1	20657	25105	26020	1	62678	125556	5477	138124	49798	88601	1	1	1	37078	28576	48274	12895	55280	5195	63242	107380	87895	42030	68686	26459	39137	1	39211	1	1	1	59805	26387	1	1	27731	1	18223	11798	48684	32495	32038	25173	40577	1	1	36014	21195	31160	57407	1	1	43686	27904	28149	8369	33187	58632	1	39760	59138	59604	12648	32052	1	33189	1	28875	12653	32795	35307	51733	48278	62059	21026	1	1	92447	9681	1	64347	21294	51638	47671	28145	40834	13244	1	1	1	22907	63252	21040	1	21614	8879	30548	15751	11765	7568	29139	25682	29082	22421	33150	1	12776	14205	41325	11730	30539	13239	26293	1	47145	48596	24067	1	37936	26485	62757	1	1	20513	1	32002	8269	28140	50150	40850	60290	15666	37342	1	14368	29993	65642	26686
832.6014@5.599814	1	1	21059	1	22218	1	1	1	1	1	1	24653	21563	1	1	1	1	1	1	1	12802	22659	30577	19773	19110	40514	1	1	1	47012	13407	17214	1	1	1	1	15788	1	1	1	20146	1	37883	28336	1	41989	1	21025	1	1	1	1	1	13153	1	1	1	1	1	1	1	1	1	16806	15492	1	15481	1	36341	1	1	17333	1	1	14679	1	11847	1	1	1	1	1	1	1	10393	1	12468	1	1	12161	1	1	13972	1	21417	1	1	1	21335	1	6077	11451	23009	1	1	1	1	1	1	31476	1	1	1	1	1	25607	1	1	1	1	18307	1	1	1	23780	1	1	1	19547	1	1	1	1	12289	1	19629	1	1	1	1	1	1	1	1
855.5977@5.6149335	1	1	1	1	1	1	1	1	66168	3977	1	1	1	1	21993	1	44201	47730	13208	9715	1	1	1	1	1	12077	1	5188	13233	1	15363	19921	13753	1	1	1	1	1	7113	13219	25287	20227	14515	19579	1	1	24928	1	20166	1	17041	1	1	1	1	21216	1	1	1	1	1	1	40456	1	1	1	21953	11021	7704	28385	5723	27225	4167	14463	13501	13537	115190	1	1	13149	6730	1	29317	26992	1	24884	1	1	1	1	1	31824	1	1	1	1	1	1	29238	1	15230	1	11609	1	1	6003	1	1	1	11782	1	1	1	13964	1	1	19625	21318	1	12730	1	1	15266	10887	1	1	13849	1	1	1	17506	10470	8007	1	27943	9564	1	1	15744	1	1	1	1	30455
521.9158@5.6761293	1	1	13408	1	1	17669	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14993	1	1	1	17142	1	1	1	1	1	1	19652	1	1	1	1	1	1	1	1	1	15989	1	1	1	1	1	1	1	1	1	22069	1	1	1	1	1	18383	20194	1	1	1	21803	1	14180	1	18815	20823	1	1	1	1	1	1	1	14530	1	18783	1	1	1	1	1	1	1	1	20675	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20475	1	17755	1	1	1	1	1	1	1	21635	17975	1	1	19803	1	1	1	1	1	14904	1	1	19074	1	1	1	1	1	1	1	1	1	1	1
793.8658@5.687588	1	1	1	1	1	1	1	12912	1	1	1	20072	1	1	1	1	29349	1	1	1	1	1	1	1	1	1	1	1	1	1	14187	1	1	1	1	1	1	1	1	1	1	18141	1	16850	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	19332	1	1	1	1	1	1	1	1	1	1	15904	1	1	1	1	1	16935	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14048	1	19390	1	14655	36197	1	1	1	1	27443	1	1	1	1	1	1	1	1	1	18522	1	25562	1	1	1	1	1	1	1	1	1	1	1	1	1	16240	1	1
827.8598@5.692518	1	1	7219	20237	1	1	1	1	1	1	1	7036	1	1	1	1	11536	8150	1	1	1	1	8507	9123	1	1	1	1	1	1	9167	1	1	1	1	1	1	1	1	1	1	1	9070	1	1	1	1	1	1	13608	1	1	1	1	1	1	1	8924	1	1	1	1	1	1	1	1	1	1	1	15981	11919	1	1	1	1	1	11217	1	1	1	1	1	1	1	1	8870	1	1	1	1	1	21903	1	1	1	1	1	1	1	26196	1	1	1	21535	1	1	1	1	1	11317	1	1	1	1	1	1	17391	1	23394	1	1	24247	1	1	1	1	16669	1	1	1	1	15472	7556	1	1	1	1	9994	1	8669	1	1	1	1
1201.7924@5.6947	1	1	1	1	1	1	14764	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	20393	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	17398	1	1	1	1	1	1	1	1	1	1	1	1	1	25597	1	1	1	1	9116	1	1	1	1	8492	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	31118	1	1	11836	1	1	1	18411	1	1	1	1	12351	1	1	1	1
970.844@5.7045217	1	1	1	3793	1	1	1	1	1	1	7326	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7658	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4236	1	1	1	1	1	1	1	1	4204	1	1	1	1	1	1	1	4405	1	1	9174	1	1	1	1	1	6521	7619	4098	5112	1	3852	1	1	1	1	1	1	1	1	1	1	1	4897	1	1	1	1	4215	1	1	1	1	1	1	1	1	1	1	5620	5066	5667	4549	9065	1	1	1	1	1	1	1	1	1	1	4638	1	1	1	1	1	1	1	1	4458	1	1	7105	1	1	1	1	6785	1	1	1
1031.8225@5.695131	1	1	9257	1	1	1	1	1	1	1	1	18014	1	1	8664	10434	1	1	10499	1	1	7294	1	1	1	1	1	1	1	1	6738	1	1	1	1	1	9939	1	8712	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12188	1	1	1	11192	1	1	1	9241	1	11356	1	1	1	1	1	1	1	1	1	13955	1	14518	11442	10653	1	1	10674	20488	1	1	1	1	1	21066	1	13520	20278	1	12124	1	1	10429	20842	1	1	20881	1	17561	23950	12022	1	1	1	1	10024	22657	21109	23430	1	23604	13079	1	23437	22400	1	19005	1	23204	1	1	13803	22019	12814	21640	1	21462	1	1	1	1	1	1	1	1	1	19763	18859	1	1
1174.8055@5.703912	1	1	1	1	1	1	1	1	1	1	1	1	4157	1	1	1	7063	1	7155	1	1	1	1	1	4068	1	1	1	5289	6984	1	1	1	1	1	1	5294	1	1	1	1	1	1	4830	5846	1	1	7667	1	1	1	4150	1	1	7421	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4872	1	1	7587	7807	7547	1	1	7396	1	1	4502	1	1	1	4284	1	1	1	4277	3872	1	1	3221	1	4280	3432	7385	1	1	8754	7809	1	1	3944	1	1	1	4014	1	1	1	1	1	1	1	4398	1	1	1	1	1	5094	5315	1	1	1	1	1	5622	1	1	1	1	1	4415	1	1	1	1	1	1	1
1591.7241@5.70637	3595	1	5151	1	4013	1	1	5677	1	4575	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6719	1	4976	4300	1	1	1	4861	6528	8318	5850	4730	8031	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6154	1	1	6200	1	6229	1	1	6775	7988	1	1	1	1	6414	7095	1	1	6874	1	1	1	1	5649	4357	5016	1	1	6642	1	1	1	6555	1	1	6559	4951	6507	4676	4769	1	6910	1	1	3085	1	5774	1	1	2857	5742	1	7034	1	6687	1	1	1	1	1	1	1	5275	1	1	1	1	1	1	1	3702	1	5920	1	1	1	4544	5681	1	1	4786	1	1	6741
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C9 H2 N2 O5 S	184141	189634	197899	200945	200040	208076	223012	217374	200063	200185	212675	221902	235818	241830	250363	262014	228920	239122	215377	211562	217631	215874	241959	251792	223549	212470	240146	249114	254713	270083	244585	247691	273342	272016	276657	288757	275749	278370	277924	271088	241025	246486	269573	282776	286908	257094	286786	301978	288159	330397	321043	288944	299275	285754	270516	273130	273583	266112	282742	287771	266822	258074	272319	260537	262173	268625	253376	256769	285287	309082	259100	255690	216535	228634	154841	140435	237379	243394	244620	253079	264122	285408	284984	278282	239459	261310	269903	262092	278378	266008	263352	256401	248273	252651	286713	290501	252820	252027	269309	266032	287756	279300	286940	298238	283472	297662	295605	295791	294937	276507	262965	268302	285502	279509	314739	309542	292664	308706	279298	273467	302257	289679	284735	272464	272043	285554	313326	309308	282109	302262	325184	334343	164225	170945	278667	263009	274129	271416	235073	223403	254076	261531	213800	213235
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827.8598@5.710397	1	1	1	1	15485	16550	1	21612	1	1	1	12222	1	1	1	1	1	13036	1	15999	1	1	1	1	1	21852	1	1	17107	1	1	1	1	1	22268	26895	17892	22422	17525	21491	21172	18491	1	22220	25146	20985	19835	21934	1	13795	23000	1	19445	20016	1	23018	24868	1	1	21729	19208	22453	1	15713	15142	15778	22452	24501	1	1	12989	1	22851	18651	7312	1	1	1	18832	1	24101	20857	12012	22092	1	1	20645	19226	21003	1	23316	1	1	1	7893	12324	17599	1	1	1	1	1	22986	1	1	23309	22948	16096	1	14951	1	24183	22695	1	18111	23207	1	26400	1	1	1	1	20637	1	1	14876	9686	1	22025	16179	22399	1	1	25730	1	1	20615	1	10348	12002	1	1	19037	18798
1587.0544@5.7114997	1	1	2644	4767	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4918	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2458	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5345	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2952	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
963.8357@5.7043676	17572	19278	17377	17725	8751	17781	8689	1	10946	1	19615	1	1	10284	12021	21006	18143	1	1	1	20207	10715	19076	1	1	1	1	20670	1	11268	1	20400	1	1	21747	21340	13222	20810	20313	20963	19835	1	21437	19823	12356	19861	1	22899	21130	1	21685	10815	21696	19520	1	1	20831	9743	11517	1	21165	1	1	12169	10400	1	21518	11380	10930	6995	1	8037	19043	22217	14403	19499	11428	21846	20234	1	21136	20352	12268	10855	11570	11283	9863	22174	16049	12779	21688	22200	19144	21663	1	1	15192	1	21298	22012	12215	11678	20565	23055	8396	13273	20645	15355	9565	12377	20525	1	1	22795	1	13127	1	12386	20085	21373	1	1	22683	1	20398	1	13767	22494	11453	1	1	12378	9897	22448	1	13299	1	11386	17368	11385	18946	20608	20137	20013
1031.8232@5.709486	16385	18643	1	18845	18109	1	18922	1	19079	12247	1	1	12437	12552	11697	10204	20130	1	1	20299	20052	1	20363	18839	19276	18754	20589	20316	19256	1	1	1	13187	22505	22558	21597	1	19530	11327	19528	1	20393	21972	1	21902	21767	21747	1	21180	24321	21959	20323	1	22200	1	1	22612	20616	1	1	1	1	1	20958	1	21564	1	21114	1	23011	14236	1	18769	1	1	1	1	10039	1	20311	22553	9471	1	20649	19634	1	21035	1	1	1	1	1	1	1	1	20362	1	1	15511	21266	1	23646	1	1	1	15314	21824	1	1	12988	1	1	1	22195	1	1	23052	1	1	1	1	1	1	1	22773	8547	1	1	1	21192	1	1	12602	22574	1	1	21021	20995	1	20102	1	1	21455	21766
1065.8167@5.706817	1	1	32318	32109	28912	15051	12496	14177	28311	28219	31433	30677	18674	21207	1	34107	15945	32953	35548	33705	30985	18506	32123	30253	22517	28974	33657	33042	18664	24135	33438	30834	32732	35071	32837	34265	35748	34944	35004	1	33356	35007	35587	35005	36552	34008	36200	33415	37456	38694	38306	34361	33688	34865	36567	35826	37061	1	36032	1	34492	35894	1	32292	25372	17600	35986	1	23023	35125	1	1	33918	36754	19212	21038	1	27055	29042	34433	18263	35677	37320	35019	17384	18260	1	32982	27487	24664	34199	34243	36089	34445	18099	35414	34074	35868	21816	35887	20685	36739	34041	37920	1	29075	1	22916	20907	20512	36278	35727	38406	38846	26387	36719	37479	38068	37635	35696	36964	37603	38066	36636	1	9237	18969	1	37085	28044	37463	38904	21332	32731	35197	34450	35199	33645	31631	17317	31591	31289	31731	1
1614.3838@5.7068	1	1	1	1	5031	1	1	1	1	4954	1	6009	1	1	1	1	1	1	4212	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6090	1	1	1	1	1	1	1	1	1	1	1	1	6506	1	1	1	1	1	1	1	1	1	1	5448	1	1	4987	1	3691	1	1	1	1	1	3049	1	3825	4369	3345	1	1	1	1	1	5169	1	1	1	1	3334	1	1	3127	1	3197	1	6137	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3281	1	3673	1	6425	1	1	1	1	1	1	1	4784	1	1	1	5224	1	1	1	1	1	1	1	1	4547	1	1	1	1	5749	1	1	1	1	1	1
1347.1144@5.7123337	1	1	1	1	1	1	1	1	1	1	1	1	1	6168	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6020	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5237	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
1283.7983@5.707913	1	1	1	1	1	1	5257	1	1	1	1	1	1	1	1	4893	4152	1	1	1	5149	1	1	1	1	1	1	4843	1	1	1	1	1	1	1	1	6848	1	1	6285	1	1	1	1	1	1	1	1	1	1	1	1	1	3876	1	1	1	6551	7065	1	1	1	1	4956	1	1	1	1	1	1	1	1	1	3025	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3528	1	1	5055	1	1	6114	1	4222	6085	1	1	4463	1	1	1	1	1	1	1	1	1	1	1	1	7122	1	1	7959	1	1	1	1	6701	1	1	1	1	1	3784	1	1	1	6691	1	1	1
340.064@5.725041	1	1	12262	1	1	1	1	12418	1	1	12907	1	12682	1	9998	10526	9492	1	1	8039	1	1	1	1	10357	9283	1	1	1	1	1	1	1	1	11618	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	13460	1	1	1	1	1	1	1	1	1	1	1	1	1	14586	1	12931	1	8740	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12021	1	1	1	1	1	10936	1	1	12068	12939	13277	1	1	1	1	1	1	1	1	1	1	1	1	13779	1	1	1	1	1	19264	1	1	1	1	15145	1	1	1	1	1	17859	1	1
1591.7189@5.7182	1	1	1	1	1	1	7143	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4903	1	1	1	7101	1	1	1	8445	1	1	1	1	1	3390	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3440	1	1	1	1	1	1	1	1	1	1	8575	1	1	1	1	1	1	1	1	1	7496	1	1	1	1	1	1	6720	1	1	1	1	1	1	7840	1	1	1	3020	1	1	1	1	3080	1	1	1	1	1	1	6056	1	1	9112	1	1	1	1	9659	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
226.0715@5.7258525	208404	219061	173627	179654	205296	217348	166535	22568	176485	183200	168606	169093	180474	177791	161156	169010	156138	154860	148465	138182	161187	165973	151532	150190	137199	133849	141018	149799	120974	129910	204494	206658	177579	181948	160429	168826	179492	184881	201005	195242	144310	147737	161497	173028	225987	217342	198806	194884	152211	164783	170139	170848	199813	196341	20049	178237	176391	179050	196956	22807	141087	140849	153021	154767	223356	233653	199512	202129	141507	148157	160188	161286	130813	137427	99761	93480	162794	164327	169492	173511	145302	143667	170568	177613	184687	193950	146119	142065	147330	143549	155654	152001	132932	136265	200394	203257	158039	160568	174280	167636	140089	137730	143608	144093	197824	199322	144552	147034	150341	146141	149751	149494	178286	182917	147149	157562	151986	149927	180096	172075	138859	149297	124781	121135	165851	167876	181180	180325	177600	185991	208905	208952	135569	132329	192761	194643	168646	174975	178626	178238	200352	206625	168592	171380
Dehydro-L-(+)-ascorbic acid dimer	10516	10891	8193	8961	1	1	1	10111	7856	8544	1	7462	1	8284	1	7991	1	1	6009	5695	8963	9479	7447	9503	6640	1	1	7550	1	6179	12698	12576	1	9512	9175	9436	10758	9898	11596	12375	7688	7996	9192	1	11128	11500	11304	10289	10084	11132	10710	10233	10841	11365	1	10572	10492	9442	11246	11568	8153	9264	1	9612	12542	1	12249	1	8197	8966	1	9084	7175	7216	1	1	9261	10247	10945	10004	8352	8803	9288	10874	12245	1	8654	8297	8514	1	1	8959	8430	1	11897	13244	8928	9442	9554	9511	1	1	8270	1	1	12908	1	1	8853	8770	1	1	11673	11132	1	9207	10427	1	11709	11449	8452	8696	6687	1	1	9347	11321	10625	9227	11498	1	1	8275	7507	11184	10942	9459	10138	10026	11096	10934	1	1	7335
Tryptophan	114852	118453	93579	96569	111148	115519	83633	78727	94114	91777	95682	89953	101234	91974	91089	89019	89322	88010	82954	80598	91662	85611	76760	78582	79423	74582	79328	81429	62441	58977	107983	107753	106555	102776	82060	84946	87447	90378	99197	98753	72510	70297	90275	87204	127753	122062	102459	99085	76684	83392	78540	81917	102882	105171	88675	95788	93744	98812	104486	104441	72206	71525	79007	76289	121040	123479	105877	106115	71632	75699	78552	84304	86138	90369	52884	49970	89153	89989	83399	83160	74481	74005	88456	91449	99170	97463	72542	73920	75923	74590	84919	83688	71145	69079	99934	107310	89894	83579	95579	93534	73833	75311	71206	70764	102210	101718	75014	77024	76272	77673	77482	79083	94544	91375	82799	82336	76409	80632	89535	92917	72054	72799	59235	58173	90006	89560	95238	95787	93536	98507	102793	92801	71700	72310	101241	99204	86560	88976	89511	89329	102082	105714	90053	89385
Indole	15572	18680	1	15993	19090	16778	13869	13243	15229	1	1	14160	14469	16179	1	13183	12752	11706	11992	10233	14072	1	13144	1	12116	11350	12826	11978	9965	1	15728	15850	1	14287	12052	1	1	1	13519	14266	1	11292	1	12140	1	15899	15244	14228	10020	10665	11556	12927	12699	13628	13029	1	12789	1	13164	14233	1	13262	11187	11138	16897	18810	16132	15378	11708	11435	1	13184	14087	1	1	1	13908	12305	1	13704	14000	1	12971	13115	13900	14170	10615	10784	1	12751	13496	1	1	11013	15824	16829	14163	1	14309	13882	10920	10837	1	12989	16706	16231	1	1	11413	12893	1	1	13829	1	14197	13024	11766	11960	1	14243	9853	11722	1	9875	14153	13148	16336	13284	14860	14220	15685	14471	10317	10346	16340	15933	1	16160	12486	13103	15363	16297	1	12831
203.9362@5.731513	1	13571	1	14039	12421	1	11023	10116	1	1	1	12400	1	1	1	1	1	1	19558	23809	1	14839	1	1	1	1	1	1	1	1	1	1	15063	1	13718	1	1	1	9188	1	9937	22090	11881	17634	1	1	1	1	1	1	1	1	1	9465	1	1	1	1	1	1	1	1	1	1	12032	1	1	1	1	1	1	1	10242	13483	1	13664	9651	1	1	1	1	7461	1	10425	1	7835	1	9016	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9133	1	8743	1	1	1	1	1	1	1	1	1	1	9762	1	1	1	1	1	10325	1	10940	9842	1	1	17775	9197	1	1	10681	9031	1	1	1	1	11122	1
252.0778@5.7501144	8033	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	12029	1	9559	1	1	1	9103	1	1	1	1	7842	1	12265	12059	10082	1	1	9807	1	1	1	1	1	1	1	1	11590	1	9388	1	1	1	1	1	1	1	1	10784	1	1	1	1	11726	1	13477	10744	8635	8620	1	1	1	10959	1	1	1	1	1	10121	1	1	1	10975	11180	1	16253	16286	4363	13798	1	1	15061	14909	13459	13004	1	10438	15318	17012	9346	1	9961	1	1	1	13195	13799	1	1	13322	13483	16070	13676	1	1	1	1	1	1	15313	13927	1	1	1	1	10245	12471	1	1	15513	15753	12941	1	1	1	1	11177	8629	1	1	8605	1	1	10115	2719	1	7986
1366.4313@5.7930994	1	1	1	1	1	1	1	4178	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3973	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3473	4135	1	1	1	1	1	1	4328	1	1	1	1	1	1	1	1	3696	1	1	1	1	1	1	1	1	1	1	1	1	1	3149	1	1	1	1	1	1	1	1	2907	1	1	1	1	1	1	1	1	1	1	4283	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4135
381.8497@5.787998	23595	1	1	25911	1	24524	25459	1	25713	1	21469	1	1	1	23421	1	1	1	1	18977	1	1	25983	25112	1	1	21667	1	1	1	28109	29529	24418	25821	1	30342	20716	1	1	20955	33404	1	20924	1	21861	1	26103	1	1	1	1	1	26352	1	1	22550	25846	1	1	20292	1	23663	26389	25795	24294	1	23178	1	25034	28258	1	1	16632	1	1	1	1	22922	1	27402	1	1	25656	24331	1	24327	26418	28464	25768	1	1	23844	1	1	27103	28765	22650	1	25148	1	1	27216	26303	1	1	18722	1	1	25420	25859	26877	1	1	1	28471	27856	1	1	1	1	26130	24271	28172	1	1	23471	25896	1	24980	1	26240	27119	1	18514	24479	23910	1	1	1	1	26193	26223	24518	25520
129.9669@5.787051	1	1	46041	42509	1	44251	1	1	1	46026	1	1	1	1	1	1	62543	62126	1	1	53115	1	1	60951	1	52891	1	1	53000	51500	1	74633	1	65495	73607	84205	1	1	1	52046	66561	77910	53884	64547	64404	57227	59000	1	63596	76408	85025	68670	70186	66190	59672	60334	1	61001	1	1	50696	46477	58870	54249	1	1	1	50236	61348	72403	54957	1	1	1	1	1	1	1	62820	55515	1	65670	1	57193	1	1	65855	64682	62983	57807	1	47123	56760	40052	1	1	1	59622	66969	1	64428	65515	1	74673	1	1	57165	1	1	61384	1	1	76824	69390	75237	75404	69803	67070	80922	81596	1	78482	77354	68316	61302	1	77876	1	1	57600	73029	1	1	1	61789	1	56469	1	1	51347	1	62249	1	1
1165.5126@5.792	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2503	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	2753	1	1	1	1	1	1	1	1	1	1	1	1
1240.486@5.793429	1	1	1	3558	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5269	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4323	4976	1	1	1	1	1	1	5182	1	1	1	4552	1	1	1	1	1	4538	4889	1	1	1	1	1	1	1	4971	1	1	1	1	1	1	1	1	4008	1	3999	1	4971	4670	1	2403	4669	1	1	1	1	1	3076	1	5095	1	1	1	1	1	5055	1	1	1	1	1	1	3575	1	1	1	3714	1	1	1	4913	1	1	1	1	1	1	1	1	1	4958	1	2793	4424	1	6650	1	4171	1	1	6310	1	1	1	1	1	1	1	1	1	1	1	3709	1	1
1172.5013@5.7909093	1	1	1	1	1	1	1	1	3713	1	1	1	1	1	1	3487	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	3241	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4488	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4571	1	1	1	1	1	1	1	1	1	1	1	1	1	5507	1	1	1	1	1	3894	1	3058	1	1	1	1	1	1	1	1	4079	4211	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5375	1
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349.0567@6.0507336	1	1	1	4170	1	5326	1	4229	1	1	1	1	1	1	1	1	1	4110	1	1	1	1	1	4539	5110	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4277	1	1	1	1	1	1	1	1	5410	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4004	1	4555	1	5425	1	1	1	5287	1	3810	1	1	1	1	1	1	1	1	1	5413	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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181.0738@6.053201	25863	26878	29002	29330	34047	35319	29381	32652	31369	32647	22137	23179	33053	30696	33155	31379	32488	32885	31923	33599	29535	31770	33907	32685	36762	36541	24689	24270	22647	23752	29011	31231	33509	30526	30173	30572	30557	31119	28569	27420	30347	29893	39087	36709	37262	36291	37163	39455	35483	35393	38344	34459	37288	43120	30056	33317	29965	28737	39055	40462	25901	29122	31874	32148	32981	32038	22792	22592	26749	25558	25842	25978	32301	34715	15271	15618	28004	23978	32064	27107	23984	25623	36560	31987	33494	30965	24501	26084	29002	29182	29607	25135	23718	26034	35523	44221	30779	29501	31633	34068	32059	32454	34971	29588	34091	35193	34660	36507	38227	39453	39606	38837	42069	44231	36971	34106	30061	31060	31262	34323	24934	25406	20642	20920	38150	39229	42405	41758	37282	39802	44405	43447	24916	26642	37486	36025	53467	54722	46069	43341	43241	47171	33649	34015
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167.9926@6.072	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	7322	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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C15 H4 O3 S5	26132	26442	23130	1	22811	22681	18229	1	20418	1	1	1	1	14887	12969	16823	1	18505	18791	1	1	1	18967	1	1	1	1	1	19949	13806	1	1	17416	21879	17699	17486	1	1	1	1	1	17303	20992	1	19818	1	1	16126	19277	19427	16605	17677	19513	17061	1	1	19435	19326	20087	21930	16827	15880	1	18477	18426	1	1	17813	18480	1	1	1	13692	17763	18820	18170	14956	17392	19288	1	21702	1	17492	1	17569	1	1	18492	17839	17799	17232	17963	15658	19715	22632	22413	18665	1	18638	19212	21219	20348	20269	19418	23574	23908	23666	25474	1	21700	1	24985	23682	25545	25867	22831	25564	22070	24258	22479	23471	23485	24800	23393	21617	23302	20083	24977	1	21929	22895	1	22619	20867	20383	19416	14645	19296	1	16440	18634	20581	18634	17458
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833.6126@6.5404997	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4037	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5186	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
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746.5564@6.5239635	8557	16972	15911	10804	15550	28068	1	15744	23188	1	1	16618	40877	15106	54930	47869	26195	67140	1	1	8490	14635	32885	15564	47503	19427	15565	1	1	27590	8081	1	16057	1	36993	12791	16799	18985	20760	22658	1	1	1	8597	41597	1	27952	1	9441	30634	1	1	13210	1	20876	13185	1	13492	7688	1	8769	27533	1	5681	16323	1	1	8523	10065	1	1	21817	11341	1	1	2568	13677	40989	1	13307	16784	29465	1	1	1	14503	21159	1	24465	1	38725	1	1	9347	39976	10109	1	1	13067	53752	13305	9638	1	1	5075	1	7770	1	1	6710	1	1	6468	1	1	1	1	8523	11303	1	1	1	1	1	1	7136	1	51555	12380	7143	14917	1	1	1	38190	1	1	1	1	12060	1	28033	14137	1
774.5869@6.545647	1	2408	14107	1	6051	9503	1	1	7405	3952	3649	1	8502	3858	6888	1	4265	7579	5222	7033	1	1	1	5584	7118	1	6842	1	1	1	3399	1	1	1	5499	1	7385	1	1	3791	1	8739	1	5243	5685	4312	3290	10311	4759	1	1	3706	4538	4177	1	8712	1	3986	4403	6267	5879	1	1	1	2325	1	1	1	1	1	1	1	1	6440	1	1	5143	1	3942	1	7684	1	13396	9712	3986	4441	3289	1	2449	1	3620	1	1	1	4780	1	1	1	1	4257	1	1	1	1	5314	1	8695	1	7530	5511	1	1	1	1	1	1	5910	1	1	1	3827	3862	3994	2548	1	2713	4493	1	6471	4154	1	4194	1	7044	5691	3310	1	1	5428	1	5123	1	3549	5168
565.3362@6.5900335	1	1	10525	11670	12200	12720	1	14878	10063	11576	11863	12187	12658	12287	12747	12734	11507	11573	11727	11183	1	1	1	1	1	18964	1	21029	13588	14438	21833	1	1	1	1	1	10480	11139	1	1	11875	11855	11771	11246	1	1	1	1	16087	1	1	1	1	1	12974	12957	1	1	1	1	7420	9363	9022	9154	1	15768	1	1	13939	1	15712	14881	1	1	14566	1	1	1	33906	1	1	18220	1	1	15418	1	1	1	1	1	1	1	1	1	1	1	1	19611	21649	1	19337	1	1	1	13523	13081	23508	22915	1	36526	21451	1	1	1	1	1	1	1	1	1	15802	1	1	1	1	34845	1	1	1	1	1	19354	1	14265	1	1	15768	1	1	179202	17382	17657	1	1
746.556@6.572896	1	1	1	1	1	1	1	1	1	1	1	1	19069	1	6942	6286	16435	1	1	1	1	1	1	1	11098	1	1	1	1	1	1	1	5013	1	1	13654	4434	15383	1	1	1	1	1	1	11898	1	1	1	1	1	1	1	1	1	1	1	1	17438	6008	5659	1	1	1	1	8513	7357	1	1	1	1	1	1	1	1	1	1	1	10738	1	1	1	1	2760	1	1	17346	7604	5546	1	4337	1	1	1	1	1	1	1	1	1	1	3378	1	1	1	1	1	1	1	1	5390	1	1	1	1	1	1	1	1	1	1	7166	1	1	1	5783	1	1	11556	1	4848	1	1	1	1	6885	1	1	1	1	1	1	1	1	4881
749.5749@6.6133924	13104	9812	1	1	1	1	8293	1	17011	1	1	1	33539	16754	39270	1	20749	21914	1	36984	16628	1	1	1	16273	1	1	13070	20492	1	1	1	25708	1	14248	10764	13626	1	1	1	13797	1	14237	13360	1	13557	14970	16870	1	15824	1	6961	12074	1	1	9931	1	11390	1	1	1	1	1	1	13827	26329	1	1	22428	1	17414	12096	1	1	1	5531	1	10908	1	1	14665	1	19466	19994	1	1	1	1	1	1	1	13744	1	1	1	1	1	15461	1	1	16568	1	1	1	10693	1	1	17348	1	16106	22731	1	1	1	19108	1	1	1	1	1	1	1	1	8471	10934	14051	1	1	6481	1	1	18144	1	11012	12587	1	22782	1	1	1	1	1	1	10981
553.3152@6.590174	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	24477	25056	1	1	29421	26318	1	1	1	1	1	1	1	1	45902	47259	1	36607	1	1	30050	21545	1	1	1	1	42906	42827	43118	50469	47729	48682	29060	27396	34612	47738	1	1	1	1	1	1	1	1	1	19020	20987	1	1	28882	23857	26494	27442	26817	1	1	1	1	1	22944	47613	38206	22907	28841	30609	29101	43828	51889	1	17215	1	14878	35047	34302	1	1	28788	24540	23410	30333	31973	1	25468	37249	28280	28531	1	16125	55852	45480	40621	41030	1	1	1	1	50873	49466	61640	58282	35648	36295	1	1	23191	25731	30122	28971	38176	37822	1	1	1	1	1	1	56746	53285	22559	22229	1	1	1	1	1	1
595.3817@6.5914	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4862	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6226	1	1	1	1	1	1	1	1	1	1	4091	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5957	4588	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
774.5877@6.6042304	1	4694	13744	18506	9136	8977	1	1	6963	7473	1	1	1	1	17344	8996	8693	8127	12320	6915	1	1	1	3868	7963	1	1	5034	1	1	1	1	1	1	1	3396	1	1	1	1	5978	8095	10186	5048	2803	4037	4405	1	3867	1	1	1	1	1	1	1	1	4783	1	1	1	1	1	2554	1	5137	1	1	1	3779	1	4338	1	5462	1	1	1	1	5546	5013	1	1	11846	7193	1	1	1	1	1	1	1	1	1	1	1	1	1	5875	1	1	1	1	1	1	1	1	6339	1	1	4735	1	1	1	1	1	1	3909	5656	1	1	1	1	3643	1	1	1	1	1	1	4785	1	1	4631	4572	1	5039	1	4600	1	1	7975	1	1	3910
688.5502@6.561216	23743	4514	8181	1	1	36326	1	1	6791	10071	32268	4687	148546	1	10034	7306	1	8619	8481	1	1	1	1	1	5165	135455	66724	83625	1	1	1	16378	7380	9372	31456	30832	1	1	1	12664	6354	7457	1	1	1	7696	1	19967	1	1	27996	1	1	1	22813	1	63571	84385	1	1	3868	39583	5579	26302	1	5653	1	31221	23940	1	40043	42455	3159	101432	1	1	3599	17482	4597	3178	42538	1	4169	1	3938	1	28496	60396	1	25457	1	1	35546	49707	1	1	31210	1	1	18362	60615	5872	15953	1	1	1	1	3518	1	19983	1	1	1	1	37737	4680	1	14611	1	31858	82800	3277	2958	1	2977	1	1	5474	25758	25587	1	24717	3646	20737	6362	5856	1	1	1	1	1	7407	1	54792
187.0457@6.619292	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	14741	1	1	1	9565	1	20541	1	1	1	1	1	1	1	1	15225	1	12547	1	1	1	1	1	1	1	21661	1	1	1	1	1	1	18218	1	1	11635	1	1	1	1	1	1	1	1	1	15900	18990	1	1	1	1	1	1	1	1	1	1	14730	1	1	1	1	22700	1	1	1	12458	1	27211	1	1	1	1	1	1	1	22023	1	1	1	13485	1	1	1	20671	1	1	1	1	1	1	34954	1	29577	13773	1	1	1	1	1	1	1	1	11299	1	1	1	1	1	21581	1	28609	31568	18752	1	1	19516	26368	1	1	1	1	21350	7904	1	22825	1	10114
614.3832@6.683308	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8205	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5906	1	1	1	1	1	1	1	1	1	1	1	1	3399	11480	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	10027	15899	1	1	1	1	1	6137	5794	12445	1	3986	4447	1	1	1	1	1	11519	1	1	3154	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
609.3238@6.6853485	1	6700	9885	9680	12504	12083	8276	7722	9716	10667	10211	11518	11875	11529	1	1	11631	10907	14129	15414	1	11753	6412	5849	1	13599	1	15216	1	1	12173	12549	21420	21244	17309	5553	13879	13406	8753	7674	9606	12926	1	1	1	1	3258	1	1	1	17510	1	22054	3515	1	18196	14957	5139	4906	1	1	1	16381	16854	24015	22250	30796	6328	4293	1	1	1	8451	7048	19368	20180	6065	6957	5247	5582	1	21856	9348	9316	1	1	1	1	1	1	1	1	4878	5237	1	1	1	29082	6028	35576	25639	24339	1	1	2793	3416	3099	29971	27259	8338	1	1	1	4461	1	1	1	26864	1	8565	22670	22258	1	20660	26967	27317	1	25490	7031	6543	1	19393	16548	1	1	25583	1	1	5783	5312	17740	1	19700	4158
481.3151@6.612611	79686	76861	31620	29582	34757	36871	40719	40803	33000	32801	39734	35679	1	36003	28291	31191	37672	43669	36154	36559	44935	1	70777	70683	32805	32631	45437	44986	32505	35432	45990	42514	57595	57397	61382	59475	1	26426	86938	83776	27338	26852	24297	24929	49229	45519	43822	46374	36402	37056	38255	36035	42021	46752	30435	33583	50737	53629	52740	54453	27626	28791	1	33049	1	53401	70781	70413	43031	44211	1	38799	84391	92565	34009	33229	87166	85249	63058	61230	36984	36754	100491	99547	41002	41496	43528	41843	46564	50090	5923	53810	60105	60738	44192	42255	55482	58514	71170	72663	47043	47036	37685	37476	36052	35818	47748	48010	99087	95831	34004	1	72059	74096	49027	49205	59233	58572	101368	103009	1	31890	43867	1	45256	46428	40678	39799	8444	77993	37738	36518	1	23356	49636	50456	37010	34503	63758	62731	32578	1	51108	52231
Diphenylmethylphosphine	1	29505	35980	42225	57170	61765	27829	18085	43376	1	82998	75710	66015	67448	73094	74176	32421	31248	34804	31782	28765	27031	28382	31047	25526	25850	28509	31737	19521	20332	38468	41704	30003	31151	25388	26637	33720	34614	30301	1	24061	24304	25837	26715	52565	46817	35337	32356	19829	20000	29593	29528	34212	35733	24475	26341	22641	22702	1	69809	21975	21291	29043	1	43903	45597	19300	18813	29068	28698	11899	29409	56946	1	1	15391	41175	37447	53412	52596	26650	26128	29539	30699	42774	42665	35681	34109	26711	29229	32043	30907	32242	31763	54113	51044	30073	32556	28000	30536	22706	29058	24635	26857	1	74822	71210	71299	49225	48891	39717	40768	58189	56633	62643	35654	49394	45187	38202	36228	28887	29209	28127	28276	25778	38624	25881	42762	51725	56805	44831	44601	30969	28450	56542	57530	36200	34217	29317	17442	41858	39789	34516	37100
657.3236@6.6198854	9398	7678	10250	10395	10521	10731	6553	6698	6663	6525	1	1	4786	5452	1	1	1	6901	1	5773	8578	9984	8046	8293	9657	8949	9043	9550	1	5331	1	6244	8566	7725	1	7627	4746	1	9373	8965	5590	7193	6409	1	6354	1	7300	7107	5584	7772	9477	7914	9260	11650	8665	8838	5555	1	9877	6415	1	1	1	1	6668	7673	10846	8028	1	5436	4697	7039	8006	9478	8877	8088	14460	12125	19741	18025	10699	12961	8060	8696	1	1	9413	8889	8499	8534	8897	6564	1	1	14030	12167	11936	10098	9100	12668	13146	12838	11072	10233	1	4178	12213	12930	10074	9012	8014	6051	7461	8089	1	1	1	5985	14269	13319	7835	7467	9364	9699	1	9883	8665	1	9376	8035	12214	11687	6411	1	9867	12045	9077	9205	9347	11202	14717	14833	6718	8098
529.3151@6.621131	93126	99428	111698	129816	130262	131833	73224	74626	89649	101210	79447	86503	69157	65273	62352	56729	62243	72695	87247	56862	87463	124605	96768	124447	104096	110758	104448	83605	68152	75904	69009	70555	129269	102520	99259	80339	64686	55874	99507	99594	65158	77852	59520	60858	82672	101824	66675	66523	86123	89132	92393	96679	155628	155122	101550	104246	80815	75977	122652	9261	43415	44113	35678	46326	78137	102593	135205	114961	75430	32691	68977	73027	112206	89054	95172	92339	181784	167500	231362	202287	142059	135883	104312	118644	52979	78608	106867	105935	108120	104691	84994	84038	57534	56028	131090	161194	123255	121874	139905	110222	159469	127145	119838	141342	48694	25420	149901	186455	114623	109127	99475	94687	98980	134049	94741	77216	71886	91290	176545	171925	71918	71861	105581	83743	113166	87931	115946	88852	119375	120946	137057	130764	75432	74795	14858	175185	109985	94473	100827	97851	136547	138845	8926	88090
293.0228@6.6241946	1	4620	1	1	10499	11210	5476	1	1	1	17370	20158	1	12043	1	1	14714	1	17059	13521	1	7001	13366	12768	11630	11679	1	1	11056	11709	15963	19660	12559	1	1	1	15182	14219	14824	1	11425	11192	1	14166	1	20463	16043	18295	1	1	15434	7621	9999	18773	14617	11209	13140	13114	1	28787	1	1	15245	15246	10484	1	12678	13121	15241	11560	13232	1	27196	16263	1	9107	1	11012	1	20924	15850	1	14989	13447	18107	18002	1	18006	15322	14638	9095	15457	17127	14085	20670	1	8185	1	17983	14898	11395	16876	8489	9521	26135	11482	1	1	22608	21178	18251	21005	26319	16836	1	26928	16872	25306	20220	9506	15656	17574	16117	13649	10141	20564	8675	1	23899	21250	24454	21181	10965	1	14429	26661	1	17362	1	1	15548	19083	1	16545
816.5593@6.6068196	1	4668	10037	8899	9522	8843	1	1	9330	10646	1	5439	1	1	8389	1	1	1	1	1	1	9919	1	1	12178	1	9222	1	1	6430	1	1	9597	1	1	1	1	1	5163	1	1	1	5648	1	1	9193	1	1	1	1	1	1	1	1	1	7963	7142	9455	5972	6740	1	1	7936	6756	1	5090	6676	1	1	1	4847	8985	1	6360	1	1	1	1	1	4224	1	1	1	1	2895	4195	1	1	1	6495	1	6386	11933	1	1	1	6019	7842	1	5604	7969	1	8290	6131	1	1	4060	1	2822	3485	1	8703	1	4015	1	11006	3618	1	3708	1	1	9379	6791	1	1	7683	13542	1	6603	1	1	4727	4583	1	10491	5361	1	9912	1	3352	1	1	8716	1
592.3546@6.627786	1	1	1	7685	1	1	1	1	1	5228	1	1	1	1	1	1	7907	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	9703	1	8241	1	1	1	6816	11339	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6470	6365	1	1	1	1	1	1	1	1	1	12160	1	1	6029	1	1	1	1	1	1	8936	13974	1	1	7274	1	1	1	6495	1	1	1	1	1	6766	1	2819	10551	1	1	8496	1	1	1	8657	1	1	1	1	1	1	1	8365	1	1	1	1	1	1	5960	6690	1	1	5628	1	1	6833	1	1	1	1	1	1	1	6219	1	1	13195	1	1	1	1	1	1	1	7519	1
688.5505@6.6309533	1	39829	74437	6124	82874	25865	34094	36788	70877	1	61475	50151	1	1	6436	1	73391	1	13666	1	1	40398	1	1	12435	1	1	30486	1	1	1	1	1	50636	1	1	1	1	1	1	1	1	1	1	1	1	1	70556	45993	1	20918	1	1	1	1	1	1	5822	43657	27534	53316	1	1	5196	37216	1	1	51344	34003	1	1	1	1	1	1	1	1	1	1	3055	1	21943	1	1	1	1	1	1	1	1	1	39659	6564	46128	1	1	4501	1	1	40328	1	1	1	1	1	1	1	1	1	2833	1	1	1	49480	94940	1	1	34534	1	1	1	1	1	1	1	1	1	1	57862	1	1	1	5545	1	1	1	1	1	1	1	45056	1	1	1
C31 H52 N11 O4	1	1	1	1	5637	5184	1	1	1	1	5002	5873	8785	9203	9998	10048	1	5433	7224	6243	5393	5394	5277	1	5302	1	7241	7763	1	1	5852	6779	8814	9919	5936	6236	5444	4833	5320	1	4420	5538	5330	5625	12897	12147	8411	8875	4104	4667	4763	1	8821	7914	5178	6448	1	3631	13411	13868	1	1	4555	1	7351	8060	1	4602	6157	5908	6410	1	16917	1	1	1	6638	6830	1	1	1	1	5037	5119	6173	6767	5670	5742	5125	1	1	5369	1	4566	6978	7079	1	5485	7560	6169	4693	1	1	4704	9588	1	8805	9083	7376	7680	6041	5292	6467	6916	10421	11300	6326	6919	5209	1	1	4684	4929	4769	6759	5697	7024	6957	7175	6462	6851	7804	1	1	1	1	5200	1	3832	1	5087	5046	5755	6343
(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid	7555	7423	8697	7287	8555	6975	1	5622	1	5303	1	3673	5984	1	1	1	1	5592	1	6086	1	5157	1	4262	1	1	6971	6236	5917	1	1	1	1	9828	7022	7096	4758	4255	5449	5149	1	5629	6178	5970	1	9869	8178	7731	6241	6255	5451	5942	1	6922	1	5722	1	1	1	1	3767	1	1	1	5152	5449	7023	1	5992	6789	5947	6199	15399	14559	5038	1	5330	5484	1	4914	4829	1	4936	6290	5521	1	5915	5662	6551	5950	1	5766	4504	1	1	4838	5871	6302	1	8058	5389	1	5394	1	8182	8890	4539	4730	1	5445	4975	1	4116	4695	1	1	5489	5156	4951	1	5169	6065	5970	5847	6107	1	5326	6968	4758	1	5565	6169	4592	1	1	1	5602	5995	1	1	1	1	5564	6509
637.3549@6.6350775	17769	1	19217	19044	19792	19723	1	12726	13182	12274	9627	10359	15720	14179	14610	14378	1	1	15332	15466	13024	1	14261	1	13377	12649	1	16646	14568	13220	1	13272	23489	1	1	17756	11071	9994	14434	1	1	15645	1	14923	25296	24943	1	21596	15218	18230	1	13786	18810	18011	16836	15615	11984	13034	1	1	10119	10480	11221	10468	15684	15866	1	19745	1	16204	16570	16822	1	1	1	12778	16126	1	1	1	12771	1	14357	14646	1	14186	15800	15335	15592	16593	1	1	11469	12338	1	14211	16280	16836	1	21517	13076	1	1	13119	20072	1	13671	1	1	17562	12911	12970	12308	14402	18737	1	15116	15913	14925	14436	15053	13484	14475	15569	17340	18171	1	16189	13872	12926	17466	15672	13318	12634	1	20492	1	1	11858	10341	1	1	15158	15285
635.3394@6.641012	8788	25962	1	7670	8388	10445	14943	7838	6652	6550	1	1	1	6267	1	5755	4847	1	6664	6797	7697	6953	8562	19967	9103	9120	27583	11106	6546	6955	8033	8413	10951	11168	10005	8588	1	1	8838	19545	1	4542	5340	4964	9626	9399	9106	9789	8867	10323	6083	1	9229	1	7068	6456	6258	5723	38176	39865	1	1	1	1	9007	8746	33259	13226	23804	7319	6683	1	56806	68466	18936	6385	8944	23283	27416	27215	1	20645	6806	7272	1	1	8357	7933	6115	1	7873	7625	1	3713	6196	6170	6421	7402	7239	7895	1	1	1	1	18821	37924	9052	23847	26093	7454	6071	1	1	1	6161	1	1	1	2959	7797	6452	6846	9285	8398	9623	10365	25036	8491	7943	7409	8772	9866	5640	5012	35145	17070	25524	24935	5992	1	1	14096	1	4883
509.3464@6.6398563	222476	222874	283583	275755	293841	294266	19352	18297	195894	23822	166317	166923	261214	256938	246311	247430	208964	220302	187310	247880	158341	211874	166902	23094	162725	213364	201541	271598	157706	207093	208550	206753	418414	430227	283752	279532	163583	168824	219464	220862	240877	246707	218146	223712	446656	310485	353661	350213	260987	29443	242600	235383	278053	322046	250096	259120	22538	198966	326025	52168	154174	151945	170222	173081	253061	272125	326109	322552	262789	200674	268695	268521	459162	416483	172733	170057	273744	272054	300279	305336	201760	165780	27557	248853	248913	245879	221589	282184	271487	266419	264611	253793	181511	186282	274502	223249	303332	310222	383801	398207	242760	240526	157345	225583	225350	223515	242616	38814	307921	281193	236086	27994	252946	249273	372758	372943	270785	272841	261392	259650	232546	253593	210133	238289	299285	295553	316288	313705	27652	234349	279171	188118	173427	178127	358698	358600	27924	181441	177294	172780	208168	26154	29469	251319
748.5716@6.6445208	1	1	1	1	1	1	13277	1	57098	77567	15200	52315	1	1	1	1	15307	122721	175103	60376	23573	25226	63682	19797	38957	19685	45658	32820	15068	51862	38476	10813	19924	91932	38899	1	1	26247	41376	1	1	63999	33271	20105	72070	27050	27309	22710	23555	50841	24866	1	1	22696	32298	66855	40480	1	1	1	18714	71603	45730	19632	1	1	16237	25908	29001	52667	1	38909	41021	1	21708	14666	46899	36816	18498	27327	1	27307	17422	26596	34244	49715	1	36454	23999	29732	23640	1	42828	1	1	34723	32482	19825	51368	11360	30561	18167	26003	37882	1	1	1	1	24034	40610	74542	22280	32142	41238	11041	44661	1	32330	11300	35530	1	1	39083	30185	1	22011	50723	20679	18259	27392	1	20140	34706	41614	1	1	30779	1	39866	1	1	1	23393	19907
246.9542@6.666937	1	51934	122591	40338	32513	46906	46985	34747	88422	38867	109204	35771	97709	102075	125535	131704	135693	1	138226	34690	38992	139461	133301	1	131677	97305	1	134560	67842	125043	132325	56577	144501	141951	1	37922	36313	128580	124684	49713	46263	65906	134153	1	80530	138684	133232	60410	41070	1	63173	106074	131876	50752	127417	141378	1	125020	49185	42222	83494	1	33102	82891	1	138000	133277	70728	1	74037	1	130717	54845	1	85928	79333	1	117619	60016	56298	85976	92544	1	152362	149707	149393	144114	152295	147762	41468	40672	1	1	100713	169148	1	1	1	157348	70147	1	117484	42178	35375	1	1	127154	1	1	41928	1	116230	120891	87396	1	57000	45662	178394	1	1	42228	120285	1	57248	42894	1	1	166381	37904	76440	44492	128573	86489	1	49006	1	109975	57055	145888	1	103018	112649	137175	1
C14 H4 O2 S5	18223	19921	1	14658	19689	19749	17322	1	14615	15824	1	20336	1	11415	18200	12908	1	1	18186	1	1	16751	15931	17222	1	1	1	1	14658	17081	1	15836	13620	16088	16923	14106	14610	15815	14993	1	1	1	1	1	1	1	1	1	1	16693	13352	1	15664	10768	1	1	1	10974	10705	1	15398	1	15121	1	1	13813	17487	1	1	1	1	1	1	1	1	1	15517	1	14067	14904	1	1	14952	1	1	16965	16489	1	14469	20249	15794	13602	15146	1	23245	16698	1	1	16708	1	16962	1	16944	1	1	1	19273	19782	17865	19610	1	1	20049	13430	22359	16202	22133	17664	16242	21158	14331	1	15144	1	13145	13769	16983	1	14413	1	11201	1	16868	15041	14926	1	16439	17107	14388	12937	17190	1	16647	19128
391.8764@6.662917	14591	1	1	1	1	1	32327	22832	22366	18066	1	1	22010	22306	26531	25026	1	1	24938	29920	1	1	1	1	1	1	1	26424	1	1	19098	36183	1	20912	1	26216	1	28803	19837	29015	1	1	22044	26619	1	1	1	1	1	29529	1	28894	1	25528	1	1	1	20387	26048	1	22684	21983	30236	1	22644	1	29006	1	23530	1	23849	1	28053	30331	23639	1	25005	1	17607	23018	1	26871	27548	1	27168	1	1	1	15135	25785	26632	1	26757	26010	28817	29912	26837	1	21540	28673	29993	1	25635	29119	26063	1	1	26369	1	29712	33794	16265	1	36447	38140	29250	26762	31260	28613	27244	20451	23370	23806	1	25173	1	25542	23995	27549	1	28695	25236	1	22158	30981	15546	23655	1	23840	1	25676	24831	25599	1
377.8973@6.6516666	1	4581	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	5747	1	1	1	1	1	1	1	1	6502	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
306.0854@6.6503353	19711	1	21740	21133	20765	19713	22916	21300	17196	18100	1	19033	20015	19283	1	1	23302	18756	20994	20256	20436	19458	20260	18505	18544	1	20099	21527	1	23021	18371	17815	18966	20614	20766	19999	19403	20629	18507	20357	22199	20153	21938	23393	18314	19888	21288	22883	22776	19081	18560	20896	19929	18964	21702	22239	20983	23023	1	1	23130	21428	19986	22040	18284	18819	23160	22091	20113	21846	22485	21094	1	1	22682	26476	21516	20689	1	1	23566	24576	22784	22730	21804	21691	23782	20865	1	22069	20472	20515	22586	22211	19902	1	23955	21036	20621	22641	22590	23108	1	22980	1	1	1	21026	20905	19313	22534	21426	21381	21036	21165	21603	18613	22318	20939	21109	23237	22340	21998	25699	22411	22883	22011	20548	21103	20720	21131	22740	25183	25550	21720	20253	22072	23373	20020	22134	20242	1	21050	22816
507.3309@6.651785	188213	12811	10598	160468	204198	173993	268052	272393	175254	21679	111555	134857	162317	158853	119787	122897	126713	130052	165204	139392	254589	24782	214772	398282	238501	231412	202173	274027	156458	130104	217078	190605	271581	308433	201523	215954	112044	139191	234629	208143	144102	141388	120491	124803	267127	282561	241636	288584	220156	489715	162096	144834	266564	224318	156269	196625	20411	153395	437608	701190	72245	73089	81700	102430	197698	270055	379072	365424	167181	248872	152545	207950	314823	364189	139547	110484	215975	256976	334825	327575	221262	251710	27198	226809	43126	153117	288044	253741	232595	176842	216478	244241	114472	141945	225606	270281	177054	190263	272896	233820	179550	156576	131184	139659	142173	134195	372861	603185	316290	288050	189472	26786	154172	179534	217616	221484	190503	191719	301962	296660	210235	185578	248105	244716	329387	283917	318703	268528	407508	243126	226833	218935	11018	105100	431804	375088	463122	297683	127514	156327	156441	23213	114176	121028
1018.3404@6.6562486	1	12850	1	1	1	9659	1	10543	1	1	1	1	1	1	14841	1	1	1	1	12439	1	13082	10054	13005	13408	1	14249	13376	1	15179	1	12924	11425	1	10347	1	1	1	15233	1	1	1	17513	1	10540	1	1	1	1	1	1	1	1	1	1	1	12952	16591	1	1	18349	18162	13905	14026	12865	1	10266	10913	13948	14704	12716	14926	1	1	20880	22572	14574	13843	11904	10368	15730	16086	13362	13471	14706	14183	13036	13008	1	11377	14316	1	1	1	12663	11064	13804	13842	10382	12376	14727	13164	12794	16058	1	1	9010	9123	1	12495	15331	14453	1	15961	1	1	14873	1	13035	1	1	14327	15672	15164	14121	14260	13434	1	1	15608	14784	15318	19726	19760	1	10110	11600	1	1	13918	1	13498	12296	1
345.0048@6.6536794	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	6815	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	4459	1	4323	1	7453	1	1	1	1	9039	7968	1	7002	1	1	1	7114	5427	1	5296	1	1	1	6311	1	1	1	1	1	1	1	1	7111	1	1	4479	6318	1	1	1	1	1	1	1	9537	7492	1	1	8141	1	1	1	1	7944	1	1	1	1	1	1	1	1	1	8083	7687	1	1	1	13364	11317	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	8294	1	1	10142	1	1	1	3202	1	1	1
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C16 H7 N6 O4 S	50593	147837	55477	168894	159976	102180	94976	165254	1	64730	89684	171732	1	84172	108670	84055	65519	1	184826	1	112671	141282	171130	174799	79606	178100	48778	111507	156243	173743	104318	104430	99698	1	1	92449	83024	66081	169048	1	61502	1	178638	1	196057	191712	115463	79318	1	194200	1	74822	175277	57191	192637	87339	84770	1	1	1	1	174449	165585	1	71970	92510	186277	1	89976	58252	85338	92226	1	1	168792	173930	92809	91380	191749	99628	95197	130696	1	77404	106163	98656	57147	192279	112088	1	1	80310	109256	197082	205333	210212	97637	204733	101411	82578	98388	98283	59313	105843	1	1	70753	102329	59938	114330	113970	70071	1	84830	94799	89109	206563	123923	220538	129358	46449	67390	75719	75100	82343	122317	1	93942	103932	1	87132	87425	1	77348	84220	198700	89906	97824	66989	104058	1	91381	75432	92460
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1429.0931@6.680589	11911	12700	13420	15311	11328	11709	16179	15015	15332	16399	14713	14765	13731	14103	13474	12548	15409	14657	10871	10753	11596	11914	12003	12663	11983	10770	10524	9374	10948	10170	12695	14791	13029	12105	13490	13159	11986	13378	8993	11398	15851	14921	8887	11223	10052	9219	11858	11870	10636	10481	14236	14527	11209	11238	11715	12496	10555	11592	1	1	11509	10652	11989	11848	11818	12353	9140	9611	13506	12267	11035	10775	1	1	5468	6468	9357	8120	12072	11455	10892	10733	11091	12186	12338	11465	12647	13200	11895	11618	9726	10922	10944	10197	12044	12229	9466	9279	8431	9226	11551	11394	11403	12533	1	1	10258	11082	10927	11414	11465	10660	11429	10944	11645	12537	11670	11739	13901	13607	11742	12435	12947	13182	9257	9488	12590	13083	11954	11879	13238	12502	8567	9570	10395	8971	11978	11856	14102	13303	14788	15574	15246	13064
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