Compound	nhilic-18aug17-001_1	nhilic-18aug17-001_1	nhilic-18aug17-002_1	nhilic-18aug17-002_1	nhilic-18aug17-003_1	nhilic-18aug17-003_1	nhilic-18aug17-004_1	nhilic-18aug17-004_1	nhilic-18aug17-005_1	nhilic-18aug17-005_1	nhilic-18aug17-006_1	nhilic-18aug17-006_1	nhilic-18aug17-007_1	nhilic-18aug17-007_1	nhilic-18aug17-008_1	nhilic-18aug17-008_1	nhilic-18aug17-009_1	nhilic-18aug17-009_1	nhilic-18aug17-010_1	nhilic-18aug17-010_1	nhilic-18aug17-011_1	nhilic-18aug17-011_1	nhilic-18aug17-012_1	nhilic-18aug17-012_1
Factors	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:F	groups:F	groups:C	groups:C	groups:S	groups:S	groups:F	groups:F	groups:S	groups:S
C26 H36 N17 O6	448864.00	456127.00	224034.00	234160.00	347062.00	345311.00	203475.00	201278.00	1475085.00	1492400.00	245888.00	245218.00	663729.00	655924.00	344443.00	345613.00	637153.00	639115.00	212587.00	215748.00	527000.00	538975.00	577009.00	571644.00
Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate	610332.00	621426.00	405733.00	412709.00	704281.00	716857.00	391959.00	395501.00	1030684.00	1035473.00	409057.00	415718.00	550235.00	553413.00	423254.00	425540.00	731809.00	731580.00	460324.00	457442.00	612700.00	605004.00	482310.00	471517.00
Sulfadimidine	381482.00	409478.00	1304670.00	3209965.00	873247.00	827422.00	594986.00	625476.00	292556.00	150562.00	2335984.00	2418299.00	1562252.00	1605033.00	1750231.00	1720748.00	648326.00	659019.00	724562.00	782582.00	467967.00	532650.00	2785484.00	2750239.00
C25 H36 N17 O5	67413.00	69252.00	503491.00	528072.00	488571.00	489090.00	600999.00	629745.00	37393.00	40222.00	667146.00	361244.00	258437.00	142651.00	242997.00	236491.00	205889.00	128858.00	513108.00	314079.00	508515.00	513968.00	100174.00	55820.00
Isosakuranetin 5-O-glucoside	35775.00	34877.00	190938.00	196658.00	189175.00	188293.00	230889.00	239403.00	39456.00	39959.00	244008.00	245335.00	104645.00	108726.00	96455.00	101957.00	87338.00	89312.00	194343.00	189039.00	196279.00	196284.00	49148.00	50969.00
C28 H61 N29	289088.00	290583.00	22412.00	20797.00	16527.00	14884.00	9122.00	9109.00	264123.00	272908.00	13791.00	12804.00	102911.00	106875.00	32501.00	32691.00	42653.00	40292.00	8667.00	8078.00	11212.00	11596.00	17951.00	17863.00
C25 H36 N17 O5 Esi-1.5937498	67413.00	69252.00	503491.00	528072.00	488571.00	489090.00	600999.00	629745.00	37393.00	40222.00	667146.00	361244.00	258437.00	142651.00	242997.00	236491.00	205889.00	128858.00	513108.00	314079.00	508515.00	513968.00	100173.00	55820.00
Gal?1-3GlcNAc?-Sp	104705.00	104237.00	70987.00	73664.00	111823.00	115422.00	64845.00	71725.00	171584.00	172288.00	71396.00	71131.00	91609.00	97059.00	74769.00	77842.00	113259.00	117445.00	82648.00	77728.00	101979.00	102558.00	80809.00	77223.00
C48 H81 N3 O4 S2	193535.00	198995.00	22203.00	20440.00	14844.00	15335.00	8662.00	8889.00	160841.00	159250.00	9428.00	7933.00	77785.00	80418.00	27979.00	26250.00	34977.00	34332.00	10269.00	10795.00	11396.00	11054.00	13541.00	14056.00
C49 H78 N2 O12	168085.00	171085.00	21490.00	22442.00	14357.00	13245.00	8543.00	9160.00	143422.00	150400.00	8800.00	9053.00	53511.00	54889.00	21922.00	20021.00	32485.00	31469.00	10343.00	9970.00	11176.00	11020.00	13898.00	13727.00
C39 H79 N2 O9 S	149210.00	147484.00	1.00	1.00	6678.00	7922.00	1.00	1.00	104361.00	108666.00	1.00	1.00	13497.00	14425.00	7015.00	8503.00	8277.00	7647.00	1.00	1.00	1.00	1.00	1.00	1.00
C3 H6 O4 S	50471.00	52110.00	34597.00	34859.00	50940.00	55310.00	58332.00	62954.00	121834.00	127388.00	54098.00	49610.00	58010.00	61477.00	72543.00	68209.00	92859.00	85738.00	41126.00	40740.00	60493.00	59063.00	48011.00	48291.00
C3 H4 O	29143.00	29881.00	20776.00	17431.00	19628.00	22178.00	24591.00	25816.00	265219.00	262516.00	19664.00	24156.00	23251.00	24407.00	22704.00	23074.00	34007.00	30851.00	21697.00	17937.00	28520.00	28001.00	19483.00	19283.00
C27 H47 N3 O8	116904.00	120924.00	1.00	1.00	1.00	1.00	1.00	1.00	86487.00	89128.00	1.00	1.00	40440.00	38983.00	14500.00	15952.00	15874.00	14420.00	1.00	1.00	1.00	1.00	1.00	1.00
PAF C-16	116461.00	115292.00	1.00	1.00	1.00	1.00	1.00	1.00	104112.00	97225.00	1.00	1.00	28728.00	30040.00	9023.00	9223.00	10200.00	10446.00	1.00	1.00	1.00	1.00	1.00	1.00
C13 H20 O4	41850.00	44244.00	49584.00	52850.00	73170.00	71372.00	100786.00	102087.00	49124.00	52207.00	72900.00	75048.00	44482.00	43923.00	87090.00	83947.00	40029.00	40141.00	60756.00	57646.00	73700.00	73765.00	46100.00	45002.00
Athamantin	44354.00	45926.00	33720.00	35894.00	56566.00	56774.00	39194.00	43093.00	75654.00	79248.00	39166.00	37265.00	59623.00	57915.00	47509.00	45605.00	61888.00	57267.00	38721.00	38507.00	52532.00	54327.00	45823.00	44857.00
C42 H71 N10 O4	67749.00	65794.00	7333.00	1.00	1.00	1.00	1.00	1.00	50572.00	51342.00	1.00	1.00	7672.00	7725.00	6893.00	7092.00	7448.00	7370.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H5 N O2	1.00	1.00	21149.00	22951.00	13536.00	15389.00	27134.00	30026.00	1.00	1.00	15714.00	14802.00	10906.00	10917.00	15811.00	15027.00	19308.00	21492.00	67954.00	67342.00	16482.00	17395.00	42919.00	35440.00
15(S)-HETE	51392.00	52455.00	1.00	1.00	10989.00	11192.00	1.00	1.00	18356.00	18491.00	1.00	1.00	19640.00	20262.00	15886.00	16214.00	31741.00	29596.00	1.00	1.00	11131.00	10971.00	6990.00	7143.00
C34 H60 S3	18190.00	18546.00	12715.00	13371.00	21393.00	19499.00	13311.00	13052.00	50249.00	50276.00	12676.00	11268.00	17525.00	18490.00	13603.00	13278.00	19202.00	20099.00	11530.00	12542.00	16249.00	16445.00	14446.00	14183.00
C5 H7 N6 O5	32491.00	99820.00	39201.00	35181.00	99751.00	96299.00	105839.00	42580.00	17400.00	18297.00	40233.00	42022.00	111276.00	118385.00	103343.00	109358.00	39423.00	41884.00	47914.00	41659.00	45483.00	42135.00	42068.00	42570.00
C17 H18 N O S2	15676.00	17137.00	15789.00	16674.00	19495.00	20812.00	19449.00	23140.00	15284.00	16965.00	19343.00	19498.00	21694.00	23088.00	24852.00	25810.00	19983.00	20878.00	15520.00	18225.00	19591.00	20120.00	19437.00	19626.00
C25 H36 N17 O5 Esi-1.5999998	67413.00	69252.00	503491.00	528072.00	488571.00	489090.00	600999.00	629745.00	37393.00	40222.00	667146.00	361244.00	258437.00	142651.00	242997.00	236491.00	205889.00	128858.00	513108.00	314079.00	508515.00	513968.00	100173.00	55820.00
S-Methyl-1-thio-D-glycerate	29168.00	29667.00	17948.00	18131.00	30534.00	31463.00	34963.00	34609.00	33650.00	35742.00	32188.00	32759.00	36171.00	35832.00	32172.00	32287.00	30208.00	31390.00	20326.00	19713.00	36542.00	35263.00	22808.00	20373.00
C4 H6 N6 O4	35106.00	7500.00	40510.00	70788.00	60923.00	58608.00	54570.00	51296.00	1.00	1.00	33362.00	31983.00	39380.00	67234.00	85273.00	69165.00	1.00	64783.00	29307.00	46316.00	51555.00	66776.00	66029.00	59800.00
C29 H45 N8 S	29220.00	30019.00	1.00	1.00	1.00	1.00	295.00	1.00	29099.00	31614.00	1.00	1.00	5392.00	6064.00	1.00	1.00	4192.00	3994.00	1.00	1.00	1.00	1.00	1.00	1.00
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate	6777.00	7310.00	1.00	1.00	11103.00	9874.00	15235.00	15721.00	14396.00	16145.00	1.00	1.00	19720.00	19980.00	14867.00	15941.00	25851.00	26472.00	1.00	1.00	7590.00	7628.00	12225.00	13622.00
C19 H40 N9 O4	9930.00	9244.00	1.00	1.00	8604.00	8898.00	1.00	1.00	21395.00	21814.00	1.00	1.00	14094.00	12479.00	9414.00	8064.00	23784.00	24905.00	1.00	1.00	1.00	1.00	1.00	1.00
C16 H5 N O2 Esi-1.5830001	1.00	1.00	23485.00	22951.00	13536.00	15389.00	26959.00	30026.00	1.00	1.00	15714.00	14802.00	10906.00	10917.00	15811.00	15027.00	19308.00	21492.00	67954.00	67077.00	16482.00	17395.00	42919.00	35440.00
13Z-octadecenoic acid	10347.00	10945.00	1.00	1.00	1.00	1.00	1.00	1.00	19554.00	22589.00	1.00	1.00	9546.00	1.00	1.00	1.00	9070.00	8648.00	1.00	1.00	1.00	1.00	8845.00	8345.00
C15 H4 N3 O6	11773.00	12478.00	9553.00	8207.00	1.00	1.00	1.00	1.00	1.00	1.00	11588.00	9258.00	9541.00	9052.00	1.00	1.00	1.00	1.00	9605.00	8099.00	1.00	1.00	11009.00	11430.00
C4 H6 N6 O4 Esi-5.8330007	35106.00	7738.00	40716.00	72024.00	79812.00	78820.00	54570.00	50527.00	1.00	1.00	33394.00	36305.00	69608.00	67234.00	85273.00	70482.00	1.00	64783.00	55865.00	46316.00	51607.00	67404.00	65149.00	59800.00
Succinic anhydride	25699.00	19113.00	59381.00	61819.00	21689.00	23573.00	17368.00	29063.00	1.00	1.00	59126.00	58286.00	44028.00	47571.00	35766.00	37692.00	1.00	28686.00	122625.00	33331.00	35732.00	126717.00	55398.00	55608.00
2-Chloro-4-hydroxy-6-amino-1,3,5-triazine	114231.00	101576.00	114940.00	111062.00	131674.00	150618.00	129350.00	118172.00	124590.00	128358.00	149850.00	141148.00	146917.00	157628.00	159653.00	131832.00	137116.00	126203.00	137231.00	136717.00	156180.00	147715.00	157525.00	156895.00
C8 H5 O7 S	1.00	1.00	361945.00	42327.00	59747.00	367100.00	264919.00	280097.00	1.00	1.00	213326.00	222588.00	1.00	377010.00	110864.00	417879.00	1.00	52195.00	306424.00	316345.00	32845.00	303217.00	42215.00	286302.00
C33 H67 N4 O4	10402.00	10411.00	1.00	1.00	1.00	1.00	1.00	1.00	14221.00	16332.00	1.00	1.00	1.00	1.00	1.00	1.00	8023.00	7800.00	1.00	1.00	1.00	1.00	1.00	1.00