summary_stats_curated_no_vpas.csv

Species,Num,min,max,mean,median,max-min
oxygen,14,11.250561200502737,11.330603908176274,11.267713209289925,11.250561200502737,0.08004270767353638
ozone,12,8.947976107508692,13.815510557964274,9.508257821119676,9.115030192171858,4.867534450455581
hydrogen atom,2,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
hydrogen,7,11.748647798491298,11.774290229104636,11.768783681183317,11.774290229104636,0.025642430613338263
deuterium,1,11.748647798491298,11.748647798491298,11.748647798491298,11.748647798491298,0.0
hydroxyl radical,6,-4.48863636973214,1.3862943611198906,-0.07900446258814871,0.9675840262617057,5.87493073085203
hydroperoxy radical,3,-4.04305126783455,-1.916922612182061,-2.625632164066224,-1.916922612182061,2.126128655652489
hydrogen peroxide,12,-7.24422751560335,-6.507277712385012,-6.7720598579149565,-6.7333310251375025,0.7369498032183381
nitrogen,11,11.928440908931893,12.129111604394046,11.967654293867094,11.959212567598648,0.20067069546215244
ammonia,16,0.2613647641344075,2.302585092994046,0.7135125036396549,0.536179958762022,2.0412203288596382
hydrazoic acid,4,2.120263536200091,2.322787800311565,2.2189875753898236,2.216449482523819,0.20252426411147395
hydrazine,0,0.0,0.0,0.0,0.0,0.0
dinitrogen monoxide,12,8.294049640102028,8.622553707074063,8.348639642029868,8.334871634622283,0.3285040669720356
nitrogen monoxide,14,10.680016342035124,11.250561200502737,10.884531177722277,10.871071578797833,0.5705448584676134
nitrogen dioxide,10,7.824046010856292,9.581404053367015,8.924782733782783,9.028018815182229,1.757358042510723
nitrogen trioxide,4,4.017383521085972,7.875339305243843,6.22521626491103,6.504071116657153,3.8579557841578707
dinitrogen trioxide,2,1.3862943611198906,5.132802928070463,3.259548644595177,3.259548644595177,3.746508566950572
dinitrogen tetroxide,5,3.473768074496991,4.3428059215206005,4.026492301510994,4.135166556742356,0.8690378470236095
dinitrogen pentoxide,0,0.0,0.0,0.0,0.0,0.0
hydroxylamine,0,0.0,0.0,0.0,0.0,0.0
nitrous acid,6,0.7339691750802005,0.9942522733438668,0.7843674945234222,0.7444958796791167,0.26028309826366625
nitric acid,4,-8.131530710604252,-7.649692623711514,-7.7701521454346985,-7.649692623711514,0.4818380868927381
pernitric acid,4,-5.298317366548036,0.9416085398584448,-3.240478223857136,-4.3026020343694755,6.239925906406481
fluorine atom,0,0.0,0.0,0.0,0.0,0.0
hydrogen fluoride,1,-4.867534450455582,-4.867534450455582,-4.867534450455582,-4.867534450455582,0.0
difluorine monoxide,1,10.4482147279778,10.4482147279778,10.4482147279778,10.4482147279778,0.0
nitrogen trifluoride,3,11.711376403694066,11.748647798491298,11.736224000225555,11.748647798491298,0.03727139479723185
dinitrogen tetrafluoride,2,11.687278852115007,11.687278852115007,11.687278852115007,11.687278852115007,0.0
chlorine (molecular),9,3.270169119255751,7.402051600796917,6.648508495573385,6.991136887921188,4.131882481541166
chlorine atom,2,3.7722610630529876,3.7722610630529876,3.7722610630529876,3.7722610630529876,0.0
hydrogen chloride,4,-3.2188758248682006,1.6607312068216509,-0.6641892266786649,-0.5493061443340549,4.879607031689852
hypochlorous acid,6,-2.2082744135228043,-1.547562508716013,-1.8605004870286077,-1.8718021769015913,0.6607119048067913
perchloric acid,0,0.0,0.0,0.0,0.0,0.0
monochlorine monoxide,2,4.961845129926823,4.961845129926823,4.961845129926823,4.961845129926823,0.0
dichlorine monoxide,4,1.7719568419318752,1.7719568419318752,1.7719568419318752,1.7719568419318752,0.0
chlorine dioxide,5,4.605170185988092,4.615220521841593,4.607180253158792,4.605170185988092,0.010050335853501124
nitrosyl chloride,1,7.621105166859602,7.621105166859602,7.621105166859602,7.621105166859602,0.0
nitryl chloride,1,7.849363818840582,7.849363818840582,7.849363818840582,7.849363818840582,0.0
chlorine nitrate,0,0.0,0.0,0.0,0.0,0.0
chloramine,3,0.08338160893905121,0.1508228897345837,0.12834246280273953,0.1508228897345837,0.06744128079553248
dichloramine,3,1.2378743560016174,1.2729656758128876,1.2495714626053742,1.2378743560016174,0.035091319811270116
nitrogen trichloride,3,6.917805614835639,6.917805614835639,6.917805614835639,6.917805614835639,0.0
bromine (molecular),11,4.017383521085972,4.990832666800076,4.799207079879647,4.879607031689852,0.9734491457141035
bromine atom,0,0.0,0.0,0.0,0.0,0.0
hydrogen bromide,1,1.4271163556401458,1.4271163556401458,1.4271163556401458,1.4271163556401458,0.0
hypobromous acid,3,-2.9444389791664407,-0.2623642644674911,-1.1563891693671409,-0.2623642644674911,2.6820747146989494
nitryl bromide,0,0.0,0.0,0.0,0.0,0.0
bromine nitrate,0,0.0,0.0,0.0,0.0,0.0
bromine chloride,6,2.7806208939370456,4.677740878822926,4.016568549714044,4.4176672356763635,1.8971199848858809
iodine (molecular),4,3.473768074496991,4.509860006183766,3.766434186701918,3.5410543330634576,1.0360919316867752
iodine atom,0,0.0,0.0,0.0,0.0,0.0
hydrogen iodide,0,0.0,0.0,0.0,0.0,0.0
hypoiodous acid,1,-1.410986973710262,-1.410986973710262,-1.410986973710262,-1.410986973710262,0.0
iodine chloride,0,0.0,0.0,0.0,0.0,0.0
iodine bromide,0,0.0,0.0,0.0,0.0,0.0
hydrogen sulfide,16,6.812445099177812,7.05857816871672,6.923537828209627,6.907755278982137,0.24613306953890834
sulfur dioxide,13,0.9162907318741551,4.422848629194137,4.1056193790801325,4.422848629194137,3.506557897319982
sulfur trioxide,0,0.0,0.0,0.0,0.0,0.0
sulfuric acid,0,0.0,0.0,0.0,0.0,0.0
sulfur hexafluoride,7,12.859999112936837,13.479038321343062,12.99977493468736,12.940041820610373,0.6190392084062246
sulfuryl fluoride,1,9.326874188232134,9.326874188232134,9.326874188232134,9.326874188232134,0.0
helium,9,12.454534004828673,12.507177738314095,12.480663438049469,12.480509491231935,0.05264373348542151
neon,9,12.311433161188,12.333906017040059,12.321421097122249,12.311433161188,0.02247285585205816
argon,15,11.107460356862063,11.176453228349015,11.171853703583217,11.176453228349015,0.06899287148695166
krypton,11,10.596634733096073,10.819778284410283,10.620631600899204,10.596634733096073,0.2231435513142106
xenon,10,9.923690259853647,10.319002996497794,10.07012482711128,10.054310442270712,0.3953127366441471
radon,6,9.282911064811017,9.396669950167675,9.31272117995067,9.29918651618133,0.11375888535665801
boric acid,0,0.0,0.0,0.0,0.0,0.0
selenium hydride,2,7.09408485717363,7.1184763102977895,7.10628058373571,7.10628058373571,0.024391453124159135
phosphorus trihydride,2,9.421061403291835,9.737973114058555,9.579517258675196,9.579517258675196,0.3169117107667194
arsenic hydride,1,9.338173743486067,9.338173743486067,9.338173743486067,9.338173743486067,0.0
mercury,10,6.571283042360924,6.991136887921188,6.697857957425579,6.6453910145146455,0.4198538455602643
mercury(II) oxide,3,-24.01910270295074,-9.546812608597396,-14.646468831109999,-10.373491181781864,14.472290094353344
mercury dihydroxide,2,-4.867534450455582,-4.867534450455582,-4.867534450455582,-4.867534450455582,0.0
mercury dichloride,8,-12.388394202324129,-6.4457198193855785,-9.257325488489272,-9.546812608597396,5.94267438293855
mercury dibromide,3,-10.203592144986466,-3.951243718581427,-7.007256382676592,-6.866933284461882,6.252348426405039
mercury diiodide,1,-0.6418538861723948,-0.6418538861723948,-0.6418538861723948,-0.6418538861723948,0.0
methane,22,11.042921835724492,11.553747459490484,11.208749153067762,11.176453228349015,0.5108256237659923
ethane,16,10.819778284410283,11.250561200502737,10.895309791444902,10.871071578797833,0.4307829160924541
propane,13,11.042921835724492,11.543384672454938,11.151949926778693,11.107460356862063,0.5004628367304456
butane,12,11.250561200502737,11.736069016284437,11.380747575137468,11.330603908176274,0.4855078157817001
2-methylpropane,10,9.115030192171858,11.748647798491298,11.304096851561392,11.641340269454737,2.63361760631944
pentane,7,11.417615285165903,11.761386824268728,11.694281769464391,11.736069016284437,0.3437715391028249
2-methylbutane,2,11.841429531942264,11.841429531942264,11.841429531942264,11.841429531942264,0.0
dimethylpropane,5,12.0405582070526,12.822258784953991,12.24579517774387,12.0576526404119,0.7817005779013915
hexane,12,8.334871634622283,12.129111604394046,11.62649497882176,11.960312409176181,3.7942399697717626
2-methylpentane,4,11.250561200502737,12.07504438312377,11.839281264148083,12.015759736482913,0.8244831826210319
3-methylpentane,2,11.640758836480114,12.0576526404119,11.849205738446006,11.849205738446006,0.4168938039317869
"2,2-dimethylbutane",2,11.943708381062683,12.0576526404119,12.000680510737292,12.000680510737292,0.1139442593492177
"2,3-dimethylbutane",2,11.774290229104636,11.78736231067199,11.780826269888312,11.780826269888312,0.013072081567353067
heptane,10,11.330603908176274,12.53457671250221,12.196315557839881,12.32266958911403,1.203972804325936
2-methylhexane,3,10.871071578797833,12.750799820971846,12.124223740247174,12.750799820971846,1.8797282421740125
3-methylhexane,2,12.38042603267495,12.652359748158593,12.516392890416771,12.516392890416771,0.27193371548364276
"2,2-dimethylpentane",2,12.684108446473173,12.684108446473173,12.684108446473173,12.684108446473173,0.0
"2,3-dimethylpentane",2,12.07504438312377,12.07504438312377,12.07504438312377,12.07504438312377,0.0
"2,4-dimethylpentane",2,12.621588089491839,12.621588089491839,12.621588089491839,12.621588089491839,0.0
"3,3-dimethylpentane",2,12.129111604394046,12.147803737406198,12.138457670900122,12.138457670900122,0.018692133012152112
3-ethylpentane,1,12.454534004828673,12.454534004828673,12.454534004828673,12.454534004828673,0.0
"2,2,3-trimethylbutane",1,12.404523584254012,12.404523584254012,12.404523584254012,12.404523584254012,0.0
octane,10,10.414313176302118,13.122363377404328,12.485882146589683,12.684108446473173,2.7080502011022105
2-methylheptane,2,12.822258784953991,12.822258784953991,12.822258784953991,12.822258784953991,0.0
3-methylheptane,2,12.822258784953991,12.822258784953991,12.822258784953991,12.822258784953991,0.0
4-methylheptane,1,12.822258784953991,12.822258784953991,12.822258784953991,12.822258784953991,0.0
"2,2-dimethylhexane",2,12.750799820971846,12.859999112936837,12.805399466954341,12.805399466954341,0.10919929196499112
"2,3-dimethylhexane",1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
"2,4-dimethylhexane",1,12.785891140783116,12.785891140783116,12.785891140783116,12.785891140783116,0.0
"2,5-dimethylhexane",2,12.750799820971846,12.822258784953991,12.786529302962919,12.786529302962919,0.07145896398214546
"3,3-dimethylhexane",1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
"3,4-dimethylhexane",1,12.940041820610373,12.940041820610373,12.940041820610373,12.940041820610373,0.0
3-ethylhexane,1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
"2,2,3-trimethylpentane",1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
"2,2,4-trimethylpentane",3,12.289454254469225,12.750799820971846,12.585717448245745,12.716898269296165,0.4613455665026205
"2,3,3-trimethylpentane",1,12.940041820610373,12.940041820610373,12.940041820610373,12.940041820610373,0.0
"2,3,4-trimethylpentane",2,12.09274396022317,12.147803737406198,12.120273848814684,12.120273848814684,0.055059777183027236
3-ethyl-2-methylpentane,1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
3-ethyl-3-methylpentane,1,12.98260143502917,12.98260143502917,12.98260143502917,12.98260143502917,0.0
"2,2,3,3-tetramethylbutane",1,12.859999112936837,12.859999112936837,12.859999112936837,12.859999112936837,0.0
nonane,6,10.680016342035124,13.284882306902103,12.752615964799267,13.148010024598104,2.6048659648669794
2-methyloctane,1,13.073573213234896,13.073573213234896,13.073573213234896,13.073573213234896,0.0
3-methyloctane,1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
4-methyloctane,2,13.815510557964274,13.825560893817775,13.820535725891023,13.820535725891023,0.010050335853501124
"2,3-dimethylheptane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"2,2-dimethylheptane",1,13.073573213234896,13.073573213234896,13.073573213234896,13.073573213234896,0.0
"2,4-dimethylheptane",1,13.073573213234896,13.073573213234896,13.073573213234896,13.073573213234896,0.0
"2,5-dimethylheptane",1,13.122363377404328,13.122363377404328,13.122363377404328,13.122363377404328,0.0
"2,6-dimethylheptane",1,13.073573213234896,13.073573213234896,13.073573213234896,13.073573213234896,0.0
"3,3-dimethylheptane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"3,4-dimethylheptane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"3,5-dimethylheptane",1,13.122363377404328,13.122363377404328,13.122363377404328,13.122363377404328,0.0
"4,4-dimethylheptane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
3-ethylheptane,1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
4-ethylheptane,1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"2,2,3-trimethylhexane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"2,2,4-trimethylhexane",1,13.073573213234896,13.073573213234896,13.073573213234896,13.073573213234896,0.0
"2,2,5-trimethylhexane",2,12.750799820971846,13.17365667179188,12.962228246381862,12.962228246381862,0.4228568508200343
"2,3,3-trimethylhexane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"2,3,4-trimethylhexane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"2,3,5-trimethylhexane",1,13.122363377404328,13.122363377404328,13.122363377404328,13.122363377404328,0.0
"2,4,4-trimethylhexane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"3,3,4-trimethylhexane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
3-ethyl-2-methylhexane,1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
4-ethyl-2-methylhexane,1,13.122363377404328,13.122363377404328,13.122363377404328,13.122363377404328,0.0
3-ethyl-3-methylhexane,1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
3-ethyl-4-methylhexane,1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"2,2,3,3-tetramethylpentane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2,3,4-tetramethylpentane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"2,2,4,4-tetramethylpentane",1,13.17365667179188,13.17365667179188,13.17365667179188,13.17365667179188,0.0
"2,3,3,4-tetramethylpentane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"3-ethyl-2,2-dimethylpentane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"3-ethyl-2,3-dimethylpentane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"3-ethyl-2,4-dimethylpentane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"3,3-diethylpentane",3,11.564218759357779,13.41004544985611,12.18302169263407,11.574800868688316,1.8458266904983311
decane,2,13.073573213234896,13.479038321343062,13.276305767288978,13.276305767288978,0.4054651081081655
2-methylnonane,1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
3-methylnonane,1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
4-methylnonane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
5-methylnonane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2-dimethyloctane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"2,3-dimethyloctane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"2,4-dimethyloctane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"2,5-dimethyloctane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,6-dimethyloctane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,7-dimethyloctane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"3,3-dimethyloctane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"3,4-dimethyloctane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"3,5-dimethyloctane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"3,6-dimethyloctane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"4,4-dimethyloctane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"4,5-dimethyloctane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
3-ethyloctane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
4-ethyloctane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2,3-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"2,2,4-trimethylheptane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2,5-trimethylheptane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2,6-trimethylheptane",1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
"2,3,3-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"2,3,4-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"2,3,5-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"2,3,6-trimethylheptane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,4,4-trimethylheptane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"2,4,5-trimethylheptane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"2,4,6-trimethylheptane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"2,5,5-trimethylheptane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"3,3,4-trimethylheptane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3,3,5-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"3,4,4-trimethylheptane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3,4,5-trimethylheptane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
3-ethyl-2-methylheptane,1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
4-ethyl-2-methylheptane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
5-ethyl-2-methylheptane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
3-ethyl-3-methylheptane,1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
4-ethyl-3-methylheptane,1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
3-ethyl-5-methylheptane,1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
3-ethyl-4-methylheptane,1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
4-ethyl-4-methylheptane,1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
4-propylheptane,1,13.284882306902103,13.284882306902103,13.284882306902103,13.284882306902103,0.0
4-(1-methylethyl)-heptane,1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"2,2,3,3-tetramethylhexane",1,13.633189001170319,13.633189001170319,13.633189001170319,13.633189001170319,0.0
"2,2,3,4-tetramethylhexane",1,13.633189001170319,13.633189001170319,13.633189001170319,13.633189001170319,0.0
"2,2,3,5-tetramethylhexane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"2,2,4,4-tetramethylhexane",1,13.72020037815995,13.72020037815995,13.72020037815995,13.72020037815995,0.0
"2,2,4,5-tetramethylhexane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"2,2,5,5-tetramethylhexane",1,13.227723893062155,13.227723893062155,13.227723893062155,13.227723893062155,0.0
"2,3,3,4-tetramethylhexane",1,13.633189001170319,13.633189001170319,13.633189001170319,13.633189001170319,0.0
"2,3,3,5-tetramethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"2,3,4,4-tetramethylhexane",1,13.633189001170319,13.633189001170319,13.633189001170319,13.633189001170319,0.0
"2,3,4,5-tetramethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"3,3,4,4-tetramethylhexane",1,13.815510557964274,13.815510557964274,13.815510557964274,13.815510557964274,0.0
"3-ethyl-2,2-dimethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"4-ethyl-2,2-dimethylhexane",1,13.345506928718539,13.345506928718539,13.345506928718539,13.345506928718539,0.0
"3-ethyl-2,3-dimethylhexane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"4-ethyl-2,3-dimethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"3-ethyl-2,4-dimethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
"4-ethyl-2,4-dimethylhexane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3-ethyl-2,5-dimethylhexane",1,13.41004544985611,13.41004544985611,13.41004544985611,13.41004544985611,0.0
"4-ethyl-3,3-dimethylhexane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3-ethyl-3,4-dimethylhexane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3,3-diethylhexane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3,4-diethylhexane",1,13.479038321343062,13.479038321343062,13.479038321343062,13.479038321343062,0.0
2-methyl-3-(1-methylethyl)-hexane,1,13.72020037815995,13.72020037815995,13.72020037815995,13.72020037815995,0.0
"2,2,3,3,4-pentamethylpentane",1,13.815510557964274,13.815510557964274,13.815510557964274,13.815510557964274,0.0
"2,2,3,4,4-pentamethylpentane",1,13.815510557964274,13.815510557964274,13.815510557964274,13.815510557964274,0.0
"3-ethyl-2,2,3-trimethylpentane",1,13.815510557964274,13.815510557964274,13.815510557964274,13.815510557964274,0.0
"3-ethyl-2,2,4-trimethylpentane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
"3-ethyl-2,3,4-trimethylpentane",1,13.72020037815995,13.72020037815995,13.72020037815995,13.72020037815995,0.0
"3,3-diethyl-2-methylpentane",1,13.72020037815995,13.72020037815995,13.72020037815995,13.72020037815995,0.0
"2,4-dimethyl-3-(1-methylethyl)-pentane",1,13.553146293496782,13.553146293496782,13.553146293496782,13.553146293496782,0.0
undecane,2,12.129111604394046,14.431696697388091,13.28040415089107,13.28040415089107,2.302585092994045
dodecane,2,13.479038321343062,13.553146293496782,13.516092307419921,13.516092307419921,0.07410797215372078
"2,2,4,6,6-pentamethylheptane",0,0.0,0.0,0.0,0.0,0.0
tridecane,1,12.356895535264757,12.356895535264757,12.356895535264757,12.356895535264757,0.0
tetradecane,1,11.652187532303737,11.652187532303737,11.652187532303737,11.652187532303737,0.0
pentadecane,1,10.770988120240851,10.770988120240851,10.770988120240851,10.770988120240851,0.0
hexadecane,1,10.054310442270712,10.054310442270712,10.054310442270712,10.054310442270712,0.0
heptadecane,1,8.622553707074063,8.622553707074063,8.622553707074063,8.622553707074063,0.0
octadecane,1,6.812445099177812,6.812445099177812,6.812445099177812,6.812445099177812,0.0
nonadecane,1,5.683979847360021,5.683979847360021,5.683979847360021,5.683979847360021,0.0
eicosane,1,3.506557897319982,3.506557897319982,3.506557897319982,3.506557897319982,0.0
heneicosane,0,0.0,0.0,0.0,0.0,0.0
docosane,0,0.0,0.0,0.0,0.0,0.0
tricosane,0,0.0,0.0,0.0,0.0,0.0
tetracosane,0,0.0,0.0,0.0,0.0,0.0
pentacosane,0,0.0,0.0,0.0,0.0,0.0
hexacosane,0,0.0,0.0,0.0,0.0,0.0
heptacosane,0,0.0,0.0,0.0,0.0,0.0
octacosane,0,0.0,0.0,0.0,0.0,0.0
nonacosane,0,0.0,0.0,0.0,0.0,0.0
triacontane,0,0.0,0.0,0.0,0.0,0.0
dotriacontane,0,0.0,0.0,0.0,0.0,0.0
pentatriacontane,0,0.0,0.0,0.0,0.0,0.0
hexatriacontane,0,0.0,0.0,0.0,0.0,0.0
octatriacontane,0,0.0,0.0,0.0,0.0,0.0
cyclopropane,5,8.947976107508692,9.458801731274683,9.211579925283786,9.115030192171858,0.5108256237659905
cyclobutane,0,0.0,0.0,0.0,0.0,0.0
cyclopentane,5,9.641123288068638,9.864266839382847,9.804470785535159,9.845218644412153,0.22314355131420882
cyclohexane,14,8.047189562170502,10.289150033348113,9.698043076909569,9.826526511399999,2.2419604711776113
cycloheptane,2,6.437751649736401,9.115030192171858,7.77639092095413,7.77639092095413,2.677278542435457
cyclooctane,3,9.230543079293701,9.552830680922959,9.348335808860133,9.261633666363734,0.32228760162925774
methylcyclopentane,2,10.48330604778907,10.519673691959945,10.501489869874508,10.501489869874508,0.036367644170875124
methylcyclohexane,5,8.047189562170502,10.680016342035124,9.475975653533231,9.251162366496438,2.6328267798646223
methylcyclohexane-d14,1,8.078938260485081,8.078938260485081,8.078938260485081,8.078938260485081,0.0
ethylcyclohexane,2,10.381523353479128,10.770988120240851,10.57625573685999,10.57625573685999,0.3894647667617228
methylcycloheptane,0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethylcyclohexane",0,0.0,0.0,0.0,0.0,0.0
"{\it cis}-1,2-dimethylcyclohexane",3,10.4482147279778,10.48330604778907,10.471608941185314,10.48330604778907,0.03509131981126856
"{\it trans}-1,2-dimethylcyclohexane",2,10.770988120240851,10.982297213908058,10.876642667074455,10.876642667074455,0.2113090936672073
"1,4-dimethylcyclohexane",0,0.0,0.0,0.0,0.0,0.0
"{\it trans}-1,4-dimethylcyclohexane",2,11.417615285165903,11.417615285165903,11.417615285165903,11.417615285165903,0.0
"1,1,2-trimethylcyclopentane",0,0.0,0.0,0.0,0.0,0.0
"1,1,3-trimethylcyclopentane",1,11.974960924566787,11.974960924566787,11.974960924566787,11.974960924566787,0.0
"1,1,3-trimethylcyclohexane",0,0.0,0.0,0.0,0.0,0.0
propylcyclopentane,2,11.417615285165903,11.417615285165903,11.417615285165903,11.417615285165903,0.0
pentylcyclopentane,2,12.129111604394046,12.129111604394046,12.129111604394046,12.129111604394046,0.0
cyclooctene,1,8.468403027246806,8.468403027246806,8.468403027246806,8.468403027246806,0.0
decahydronaphthalene,1,9.53884443894822,9.53884443894822,9.53884443894822,9.53884443894822,0.0
octahydro-1H-indene,0,0.0,0.0,0.0,0.0,0.0
($Z$)-bicyclo[4.4.0]decane,0,0.0,0.0,0.0,0.0,0.0
($E$)-bicyclo[4.4.0]decane,0,0.0,0.0,0.0,0.0,0.0
"2,6,6-trimethylbicyclo[3.1.1]heptane",0,0.0,0.0,0.0,0.0,0.0
"1,1'-bicyclohexyl",0,0.0,0.0,0.0,0.0,0.0
cyclododecane,0,0.0,0.0,0.0,0.0,0.0
"octahydro-1,1,2,3,3-pentamethyl-1H-indene",0,0.0,0.0,0.0,0.0,0.0
"1,1':3',1''-tercyclohexane",0,0.0,0.0,0.0,0.0,0.0
"1,1'-(2-methylpentane-2,4-diyl)dicyclohexane",0,0.0,0.0,0.0,0.0,0.0
ethene,14,9.737973114058555,10.26016249647486,9.948016237188453,9.9548362516553,0.5221893824163057
propene,7,9.293721980915233,10.054310442270712,9.773922846777747,9.826526511399999,0.7605884613554785
1-butene,3,8.947976107508692,10.151948911834628,9.742185374397886,10.126631103850338,1.203972804325936
2-butene,0,0.0,0.0,0.0,0.0,0.0
{\it cis}-2-butene,0,0.0,0.0,0.0,0.0,0.0
{\it trans}-2-butene,0,0.0,0.0,0.0,0.0,0.0
2-methylpropene,2,9.790158867229126,9.944309547056383,9.867234207142754,9.867234207142754,0.15415067982725716
1-pentene,3,10.596634733096073,10.637456727616328,10.610242064602824,10.596634733096073,0.0408219945202557
2-pentene,0,0.0,0.0,0.0,0.0,0.0
{\it cis}-2-pentene,2,10.031320924046012,10.031320924046012,10.031320924046012,10.031320924046012,0.0
{\it trans}-2-pentene,1,10.054310442270712,10.054310442270712,10.054310442270712,10.054310442270712,0.0
2-methyl-1-butene,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-butene,0,0.0,0.0,0.0,0.0,0.0
3-methyl-1-butene,2,10.871071578797833,10.92513880006811,10.898105189432972,10.898105189432972,0.05406722127027663
1-hexene,3,10.319002996497794,10.637456727616328,10.47992192396773,10.48330604778907,0.3184537311185345
2-methyl-1-pentene,2,10.231991619508165,10.26016249647486,10.246077057991513,10.246077057991513,0.028170876966695957
4-methyl-1-pentene,2,11.042921835724492,11.042921835724492,11.042921835724492,11.042921835724492,0.0
"2,3-dimethyl-1-butene",0,0.0,0.0,0.0,0.0,0.0
1-heptene,2,10.596634733096073,10.637456727616328,10.6170457303562,10.6170457303562,0.0408219945202557
2-heptene,0,0.0,0.0,0.0,0.0,0.0
{\it trans}-2-heptene,1,10.637456727616328,10.637456727616328,10.637456727616328,10.637456727616328,0.0
1-octene,3,11.042921835724492,11.512925464970229,11.199589712139739,11.042921835724492,0.4700036292457366
"2,4,4-trimethyl-1-pentene",0,0.0,0.0,0.0,0.0,0.0
"2,4,4-trimethyl-2-pentene",0,0.0,0.0,0.0,0.0,0.0
"3,4,4-trimethyl-2-pentene",0,0.0,0.0,0.0,0.0,0.0
1-nonene,2,11.330603908176274,11.330603908176274,11.330603908176274,11.330603908176274,0.0
1-decene,0,0.0,0.0,0.0,0.0,0.0
1-undecene,0,0.0,0.0,0.0,0.0,0.0
1-dodecene,0,0.0,0.0,0.0,0.0,0.0
"2,2,4,6,6-pentamethyl-3-heptene",0,0.0,0.0,0.0,0.0,0.0
1-tridecene,0,0.0,0.0,0.0,0.0,0.0
1-tetradecene,0,0.0,0.0,0.0,0.0,0.0
"1,2-butadiene",0,0.0,0.0,0.0,0.0,0.0
"1,3-butadiene",5,8.804875263868018,8.947976107508692,8.874891155488324,8.87386813535497,0.1431008436406742
"2-methyl-1,3-butadiene",4,7.986564940354067,8.947976107508692,8.507036697588802,8.546802871246223,0.9614111671546253
"1,2-pentadiene",0,0.0,0.0,0.0,0.0,0.0
"1,3-pentadiene",0,0.0,0.0,0.0,0.0,0.0
"($E$)-1,3-pentadiene",0,0.0,0.0,0.0,0.0,0.0
"1,4-pentadiene",2,9.396669950167675,9.396669950167675,9.396669950167675,9.396669950167675,0.0
"2,3-pentadiene",0,0.0,0.0,0.0,0.0,0.0
"1,4-hexadiene",0,0.0,0.0,0.0,0.0,0.0
"1,5-hexadiene",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-1,3-butadiene",0,0.0,0.0,0.0,0.0,0.0
"1,6-heptadiene",0,0.0,0.0,0.0,0.0,0.0
1-methylcyclopropene,0,0.0,0.0,0.0,0.0,0.0
cyclopentene,2,8.377431249041079,8.804875263868018,8.591153256454549,8.591153256454549,0.42744401482693917
cyclohexene,3,8.016417903503749,8.421883011611913,8.244116851739228,8.294049640102028,0.4054651081081637
1-methylcyclopentene,0,0.0,0.0,0.0,0.0,0.0
cycloheptene,0,0.0,0.0,0.0,0.0,0.0
1-methylcyclohexene,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-indene",0,0.0,0.0,0.0,0.0,0.0
"1,3-cyclopentadiene",0,0.0,0.0,0.0,0.0,0.0
"1,3-cyclohexadiene",0,0.0,0.0,0.0,0.0,0.0
"1,4-cyclohexadiene",1,6.907755278982137,6.907755278982137,6.907755278982137,6.907755278982137,0.0
"1,3-cycloheptadiene",0,0.0,0.0,0.0,0.0,0.0
"1,3,5-cycloheptatriene",1,6.165817934252759,6.165817934252759,6.165817934252759,6.165817934252759,0.0
"1,5-cyclooctadiene",0,0.0,0.0,0.0,0.0,0.0
1-ethenylcyclohexene,0,0.0,0.0,0.0,0.0,0.0
4-ethenylcyclohexene,0,0.0,0.0,0.0,0.0,0.0
"1,3,5,7-cyclooctatetraene",0,0.0,0.0,0.0,0.0,0.0
"3a,4,7,7a-tetrahydro-4,7-methano-1H-indene",0,0.0,0.0,0.0,0.0,0.0
"1,5,9-cyclododecatriene",0,0.0,0.0,0.0,0.0,0.0
ethyne,8,7.799353398265921,7.849363818840582,7.805604700837753,7.799353398265921,0.05001042057466165
propyne,5,6.991136887921188,7.308232845579262,7.098944273179384,7.013115794639964,0.31709595765807386
1-butyne,5,7.195437351433918,7.561681746388801,7.41199068272019,7.523941418405954,0.36624439495488303
2-butyne,0,0.0,0.0,0.0,0.0,0.0
1-pentyne,3,7.824046010856292,8.517193191416238,8.063534340371037,7.849363818840582,0.6931471805599463
2-pentyne,0,0.0,0.0,0.0,0.0,0.0
1-hexyne,2,7.6842840684811335,8.294049640102028,7.989166854291581,7.989166854291581,0.6097655716208941
2-hexyne,0,0.0,0.0,0.0,0.0,0.0
3-hexyne,0,0.0,0.0,0.0,0.0,0.0
1-heptyne,2,8.804875263868018,8.87386813535497,8.839371699611494,8.839371699611494,0.06899287148695166
1-octyne,2,9.028018815182229,9.028018815182229,9.028018815182229,9.028018815182229,0.0
2-octyne,0,0.0,0.0,0.0,0.0,0.0
1-nonyne,2,9.581404053367015,9.581404053367015,9.581404053367015,9.581404053367015,0.0
3-buten-1-yne,2,7.875339305243843,7.902007552326004,7.888673428784923,7.888673428784923,0.026668247082160867
butadiyne,2,6.214608098422191,6.2659013928097425,6.240254745615967,6.240254745615967,0.051293294387551036
benzene,74,5.599422459331958,6.812445099177812,6.337717405908796,6.319968614080018,1.2130226398458541
benzene-d6,2,6.319968614080018,6.437751649736401,6.37886013190821,6.37886013190821,0.11778303565638293
methylbenzene,83,5.8781358618009785,8.679712120914012,6.493731342782945,6.502290170873972,2.801576259113033
methylbenzene-d8,1,6.214608098422191,6.214608098422191,6.214608098422191,6.214608098422191,0.0
"1,2-dimethylbenzene",29,5.744604469176457,6.907755278982137,6.2155009668968955,6.214608098422191,1.1631508098056802
"1,2-dimethylbenzene-d10",1,5.809142990314028,5.809142990314028,5.809142990314028,5.809142990314028,0.0
"1,3-dimethylbenzene",20,6.319968614080018,7.354042381610556,6.589904734904811,6.571283042360924,1.034073767530538
"1,4-dimethylbenzene",26,6.074846156047033,7.402051600796917,6.578828350930968,6.571283042360924,1.3272054447498842
"1,2,3-trimethylbenzene",5,5.7763531674910364,6.165817934252759,5.960692931063148,5.914503505971854,0.3894647667617228
"1,2,4-trimethylbenzene",10,5.744604469176457,6.502290170873972,6.287157014150289,6.3771270279199666,0.7576857016975156
"1,3,5-trimethylbenzene",11,6.074846156047033,6.812445099177812,6.541140317050736,6.571283042360924,0.737598943130779
"1,2,3,5-tetramethylbenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-tetramethylbenzene",2,7.849363818840582,7.849363818840582,7.849363818840582,7.849363818840582,0.0
ethylbenzene,39,5.991464547107982,7.3232707229438025,6.624985608651307,6.6453910145146455,1.3318061758358208
ethylbenzene-d10,1,6.214608098422191,6.214608098422191,6.214608098422191,6.214608098422191,0.0
"1,2-diethylbenzene",1,6.725433722188183,6.725433722188183,6.725433722188183,6.725433722188183,0.0
"1,3-diethylbenzene",1,5.572754212249797,5.572754212249797,5.572754212249797,5.572754212249797,0.0
"1,4-diethylbenzene",0,0.0,0.0,0.0,0.0,0.0
propylbenzene,12,6.2659013928097425,7.600902459542082,6.887729032644208,6.95381292343604,1.3350010667323398
(2-propyl)-benzene,13,4.866534950122499,7.487573774235079,6.824339852534668,7.024289095238089,2.6210388241125804
1-ethyl-2-methylbenzene,2,6.074846156047033,6.074846156047033,6.074846156047033,6.074846156047033,0.0
1-ethyl-3-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-ethyl-4-methylbenzene,2,6.214608098422191,6.214608098422191,6.214608098422191,6.214608098422191,0.0
butylbenzene,9,6.214608098422191,7.385791079925137,7.103310965339924,7.195437351433918,1.1711829815029455
(1-methylpropyl)-benzene,3,6.6453910145146455,7.250245587928913,7.030357984625826,7.195437351433918,0.6048545734142676
(2-methylpropyl)-benzene,1,8.111728083308073,8.111728083308073,8.111728083308073,8.111728083308073,0.0
"(1,1-dimethylethyl)-benzene",3,6.437751649736401,7.09408485717363,6.833822396536752,6.969630682700225,0.6563332074372292
1-methyl-2-(1-methylethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-methyl-3-(1-methylethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-methyl-4-(1-methylethyl)-benzene,3,6.319968614080018,6.907755278982137,6.624371635858933,6.6453910145146455,0.5877866649021186
4-{\it tert}-butyltoluene,0,0.0,0.0,0.0,0.0,0.0
pentylbenzene,4,6.3771270279199666,7.435388021064509,7.1582868881323805,7.410316251772523,1.0582609931445424
pentamethylbenzene,0,0.0,0.0,0.0,0.0,0.0
"(1,1-dimethylpropyl)-benzene",0,0.0,0.0,0.0,0.0,0.0
hexylbenzene,2,7.6842840684811335,7.751725349276666,7.718004708878899,7.718004708878899,0.06744128079553224
hexamethylbenzene,0,0.0,0.0,0.0,0.0,0.0
4-{\it tert}-butyl-$o$-xylene,0,0.0,0.0,0.0,0.0,0.0
"1-(1,1-dimethylethyl)-3,5-dimethylbenzene",0,0.0,0.0,0.0,0.0,0.0
diisopropylbenzene,0,0.0,0.0,0.0,0.0,0.0
heptylbenzene,0,0.0,0.0,0.0,0.0,0.0
"5-{\it tert}-butyl-1,2,3-trimethylbenzene",0,0.0,0.0,0.0,0.0,0.0
octylbenzene,0,0.0,0.0,0.0,0.0,0.0
"3,5-di-{\it tert}-butyltoluene",1,5.599422459331958,5.599422459331958,5.599422459331958,5.599422459331958,0.0
"1,3,5-tris(1-methylethyl)benzene",0,0.0,0.0,0.0,0.0,0.0
ethyl(phenylethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-phenyldecane,0,0.0,0.0,0.0,0.0,0.0
4-(1-phenylethyl)-$m$-xylene,0,0.0,0.0,0.0,0.0,0.0
undecylbenzene,0,0.0,0.0,0.0,0.0,0.0
dodecylbenzene,0,0.0,0.0,0.0,0.0,0.0
tridecylbenzene,0,0.0,0.0,0.0,0.0,0.0
tetradecylbenzene,0,0.0,0.0,0.0,0.0,0.0
pentadecylbenzene,0,0.0,0.0,0.0,0.0,0.0
ethenylbenzene,9,5.426150738057921,6.319968614080018,5.722814704837875,5.599422459331958,0.893817876022097
($E$)-1-propenylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-propenylbenzene,0,0.0,0.0,0.0,0.0,0.0
2-propenylbenzene,1,6.571283042360924,6.571283042360924,6.571283042360924,6.571283042360924,0.0
1-ethenyl-3-methylbenzene,1,5.952243833954701,5.952243833954701,5.952243833954701,5.952243833954701,0.0
1-ethenyl-4-methylbenzene,1,5.654992310486769,5.654992310486769,5.654992310486769,5.654992310486769,0.0
(1-methylethenyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
phenylacetylene,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-methylstyrene dimer,0,0.0,0.0,0.0,0.0,0.0
1-methyl-4-(1-methylethyl)-cyclohexane,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-pinene,6,7.4524824544238095,10.26016249647486,9.15034972046861,9.53923039033751,2.807680042051051
$\beta$-pinene,4,7.621105166859602,9.965362956254216,8.782920032428072,8.772606003299233,2.3442577893946144
"1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene",2,7.706262975199909,8.145629634983754,7.9259463050918315,7.9259463050918315,0.43936665978384504
"1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene",1,7.875339305243843,7.875339305243843,7.875339305243843,7.875339305243843,0.0
1-methyl-4-(1-methylethenyl)-cyclohexene,3,7.264430222920869,7.641724454062338,7.3901949666346916,7.264430222920869,0.37729423114146865
($R$)-1-methyl-4-(1-methylethenyl)-cyclohexene,2,7.957577403480815,8.254828926948747,8.106203165214781,8.106203165214781,0.29725152346793227
($S$)-1-methyl-4-(1-methylethenyl)-cyclohexene,1,7.957577403480815,7.957577403480815,7.957577403480815,7.957577403480815,0.0
"3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene",1,8.740336742730447,8.740336742730447,8.740336742730447,8.740336742730447,0.0
"7-methyl-3-methylene-1,6-octadiene",1,7.047017346315645,7.047017346315645,7.047017346315645,7.047017346315645,0.0
1-methyl-4-(1-methylethylidene)-cyclohexene,1,7.875339305243843,7.875339305243843,7.875339305243843,7.875339305243843,0.0
"2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene",1,8.622553707074063,8.622553707074063,8.622553707074063,8.622553707074063,0.0
3-methylene-6-(1-methylethyl)-cyclohexene,1,8.622553707074063,8.622553707074063,8.622553707074063,8.622553707074063,0.0
"3,7-dimethyl-1,3,6-octatriene",0,0.0,0.0,0.0,0.0,0.0
"($Z$)-3,7-dimethyl-1,3,6-octatriene",0,0.0,0.0,0.0,0.0,0.0
"($E$)-3,7-dimethyl-1,3,6-octatriene",0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-3-methylene-bicyclo[2.2.1]heptane",0,0.0,0.0,0.0,0.0,0.0
4-methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane,0,0.0,0.0,0.0,0.0,0.0
"tricyclo[3.3.1.1(3,7)]decane",0,0.0,0.0,0.0,0.0,0.0
"bis(1-methylethyl)-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
"1,1-bis(3,4-dimethylphenyl)ethane",0,0.0,0.0,0.0,0.0,0.0
1-benzyl-2-(2-methylbenzyl)benzene,0,0.0,0.0,0.0,0.0,0.0
"2,5-dibenzyltoluene",0,0.0,0.0,0.0,0.0,0.0
biphenyl,7,2.9759296462578115,4.422848629194137,3.5267682732394587,3.4112477175156566,1.4469189829363254
"2-methyl-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
"3-methyl-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
"4-methyl-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
diphenylmethane,1,0.0,0.0,0.0,0.0,0.0
"1,2-diphenylethane",1,2.8302178350764176,2.8302178350764176,2.8302178350764176,2.8302178350764176,0.0
$o$-terphenyl,0,0.0,0.0,0.0,0.0,0.0
$m$-terphenyl,0,0.0,0.0,0.0,0.0,0.0
$p$-terphenyl,0,0.0,0.0,0.0,0.0,0.0
indene,0,0.0,0.0,0.0,0.0,0.0
5-ethylidene-2-norbornene,0,0.0,0.0,0.0,0.0,0.0
azulene,1,1.8971199848858813,1.8971199848858813,1.8971199848858813,1.8971199848858813,0.0
naphthalene,28,2.8134107167600364,4.8283137373023015,3.8114398939285854,3.816712825623821,2.014903020542265
naphthalene-d8,1,3.3524072174927233,3.3524072174927233,3.3524072174927233,3.3524072174927233,0.0
1-methylnaphthalene,10,3.123565645063876,4.135166556742356,3.6370528507446607,3.714315619300814,1.0116009116784803
1-methylnaphthalene-d10,1,3.079113882493042,3.079113882493042,3.079113882493042,3.079113882493042,0.0
2-methylnaphthalene,9,3.3524072174927233,9.903487552536127,4.4984764509611095,3.912023005428146,6.5510803350434035
1-ethylnaphthalene,5,3.6119184129778077,4.268697949366879,3.799329333977964,3.649658740960655,0.6567795363890712
2-ethylnaphthalene,4,4.017383521085972,4.422848629194137,4.2295511571357665,4.238986239131478,0.4054651081081646
"1,3-dimethylnaphthalene",1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
"1,4-dimethylnaphthalene",1,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
"1,5-dimethylnaphthalene",2,3.575550768806933,4.135166556742356,3.855358662774645,3.855358662774645,0.5596157879354231
"1,6-dimethylnaphthalene",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethylnaphthalene",2,4.074541934925921,4.509860006183766,4.292200970554843,4.292200970554843,0.4353180712578455
"2,6-dimethylnaphthalene",1,4.803621124711929,4.803621124711929,4.803621124711929,4.803621124711929,0.0
"1,4,5-trimethylnaphthalene",0,0.0,0.0,0.0,0.0,0.0
2-(1-methylethyl)naphthalene,0,0.0,0.0,0.0,0.0,0.0
"1,2-bis(isopropyl)naphthalene",0,0.0,0.0,0.0,0.0,0.0
($E$)-stilbene,1,3.6888794541139363,3.6888794541139363,3.6888794541139363,3.6888794541139363,0.0
acenaphthene,18,1.3470736479666092,5.051457288616511,2.882659799724004,2.9095966630837644,3.704383640649902
acenaphthylene,9,2.302585092994046,2.5383074265151158,2.441302527701972,2.4418471603275536,0.23572233352106986
phenanthrene,21,0.8675005677047231,2.577021938695806,1.5110693020665507,1.3862943611198906,1.7095213709910833
1-methylphenanthrene,1,1.6094379124341003,1.6094379124341003,1.6094379124341003,1.6094379124341003,0.0
"9,10-dihydrophenanthrene",1,2.120263536200091,2.120263536200091,2.120263536200091,2.120263536200091,0.0
"2,3-benzindene",19,1.1394342831883646,3.0576076772720784,2.2601334785240215,2.302585092994046,1.9181733940837138
benzo[$a$]fluorene,1,0.9942522733438668,0.9942522733438668,0.9942522733438668,0.9942522733438668,0.0
anthracene,20,0.6733445532637655,4.961845129926823,2.0750379722057426,1.8022691528400925,4.288500576663058
9-methylanthracene,0,0.0,0.0,0.0,0.0,0.0
"9,10-dimethylanthracene",0,0.0,0.0,0.0,0.0,0.0
pyrene,17,-2.0281482472922856,6.571283042360924,0.4462240431040647,0.18632957819149334,8.599431289653209
1-methylpyrene,0,0.0,0.0,0.0,0.0,0.0
2-methylpyrene,0,0.0,0.0,0.0,0.0,0.0
"2,7-dimethylpyrene",0,0.0,0.0,0.0,0.0,0.0
chrysene,8,-2.2407096892759584,5.381698975487088,-0.5245927723680461,-0.9130804479726937,7.6224086647630465
naphthacene,1,-5.521460917862246,-5.521460917862246,-5.521460917862246,-5.521460917862246,0.0
triphenylene,1,-4.605170185988091,-4.605170185988091,-4.605170185988091,-4.605170185988091,0.0
benzo[$jk$]fluorene,11,-0.40546510810816444,5.403677882205863,0.7303954288654765,0.28768207245178085,5.809142990314028
benz[$a$]anthracene,10,-4.406719247264253,0.19845093872383823,-1.2337316772919003,-0.500315940153953,4.605170185988092
7-methylbenz[$a$]anthracene,0,0.0,0.0,0.0,0.0,0.0
10-methylbenz[$a$]anthracene,0,0.0,0.0,0.0,0.0,0.0
12-methylbenz[$a$]anthracene,0,0.0,0.0,0.0,0.0,0.0
"7,12-dimethyl-benz[$a$]anthracene",0,0.0,0.0,0.0,0.0,0.0
"9,10-dimethyl-benz[$a$]anthracene",0,0.0,0.0,0.0,0.0,0.0
20-methylcholanthrene,0,0.0,0.0,0.0,0.0,0.0
benzo[$b$]fluoranthene,4,-2.70805020110221,0.18632957819149334,-1.984455256278784,-2.70805020110221,2.8943797792937036
benzo[$k$]fluoranthene,6,-2.890371757896165,4.645992180508347,-0.8045161662290675,-2.567899218525131,7.536363938404511
benzo[$a$]pyrene,8,-3.0910424533583156,7.106206217705975,-0.3116246424997551,-2.5649493574615367,10.19724867106429
benzo[$e$]pyrene,0,0.0,0.0,0.0,0.0,0.0
"dibenzo[$a,e$]pyrene",0,0.0,0.0,0.0,0.0,0.0
"dibenzo[$a,h$]pyrene",0,0.0,0.0,0.0,0.0,0.0
"dibenzo[$a,i$]pyrene",0,0.0,0.0,0.0,0.0,0.0
perylene,1,-5.799092654460526,-5.799092654460526,-5.799092654460526,-5.799092654460526,0.0
"dibenz[$a,h$]anthracene",1,-4.941642422609305,-4.941642422609305,-4.941642422609305,-4.941642422609305,0.0
"indeno[1,2,3-$cd$]pyrene",4,-4.941642422609305,-2.995732273553991,-3.6592187590812433,-3.349750170080839,1.945910149055314
benzo[$ghi$]perylene,5,-5.19295685089021,-2.5649493574615367,-3.547670960404801,-3.4011973816621555,2.6280074934286737
coronene,0,0.0,0.0,0.0,0.0,0.0
benzo[$b$]triphenylene,0,0.0,0.0,0.0,0.0,0.0
"dibenz[$a,j$]anthracene",0,0.0,0.0,0.0,0.0,0.0
picene,0,0.0,0.0,0.0,0.0,0.0
"1,2-benzfluoranthene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrahydronaphthalene",1,5.278514739251857,5.278514739251857,5.278514739251857,5.278514739251857,0.0
indane,0,0.0,0.0,0.0,0.0,0.0
"2,3-dihydro-1,1,3,3,5-pentamethyl-1H-indene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrahydro-1,1,3,4,4,6-hexamethylnaphthalene",0,0.0,0.0,0.0,0.0,0.0
[2.2]paracyclophane,0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrahydro-5-(1-phenylethyl)-naphthalene",0,0.0,0.0,0.0,0.0,0.0
5-methylchrysene,0,0.0,0.0,0.0,0.0,0.0
benzo[$j$]fluoranthene,0,0.0,0.0,0.0,0.0,0.0
benzo[$c$]chrysene,0,0.0,0.0,0.0,0.0,0.0
benzo[$g$]chrysene,0,0.0,0.0,0.0,0.0,0.0
"dibenz[$a,e$]aceanthrylene",0,0.0,0.0,0.0,0.0,0.0
"dibenzo[$b,k$]chrysene",0,0.0,0.0,0.0,0.0,0.0
carbon monoxide,13,9.446062705497253,11.748647798491298,11.41951417964547,11.543384672454938,2.302585092994045
carbon dioxide,21,7.706262975199909,8.016417903503749,7.962916386116128,7.986564940354067,0.31015492830383984
carbon suboxide,1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
methanol,24,-0.9555114450274365,3.324236340526027,-0.5006331625999239,-0.7419373447293773,4.279747785553464
ethanol,23,-0.8329091229351039,-0.0953101798043249,-0.5690927249868052,-0.6418538861723948,0.737598943130779
1-propanol,16,-0.9932517730102834,-0.0953101798043249,-0.35950992750762234,-0.3364722366212129,0.8979415932059586
2-propanol,17,-0.5306282510621704,6.907755278982137,0.4623345586137659,-0.0953101798043249,7.438383530044307
glycidol,0,0.0,0.0,0.0,0.0,0.0
1-butanol,23,-0.587786664902119,1.9661128563728327,0.008482170488231,-0.0953101798043249,2.5538995212749516
2-butanol,7,-0.0953101798043249,0.0408219945202552,-0.030693643103099848,0.0,0.13613217432458008
2-methyl-1-propanol,10,-0.0953101798043249,1.5141277326297755,0.3086508501509485,0.11357578635587427,1.6094379124341005
2-methyl-2-propanol,9,-0.3364722366212129,0.38566248081198456,0.1823646851677757,0.2613647641344075,0.7221347174331975
1-pentanol,11,0.0,0.28768207245178085,0.1360591459516281,0.10536051565782635,0.28768207245178085
2-pentanol,2,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.0
3-pentanol,1,0.47803580094299963,0.47803580094299963,0.47803580094299963,0.47803580094299963,0.0
2-methyl-1-butanol,2,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.0
($S$)-2-methyl-1-butanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-1-butanol,1,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.0
2-methyl-2-butanol,2,0.3285040669720359,0.342490308946776,0.335497187959406,0.335497187959406,0.013986241974740132
3-methyl-2-butanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-propanol",0,0.0,0.0,0.0,0.0,0.0
1-hexanol,10,0.020202707317519254,0.9416085398584448,0.5506903171739441,0.5534230467976067,0.9214058325409256
2-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-hexanol,1,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.0
2-methyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-pentanol,1,1.1711829815029449,1.1711829815029449,1.1711829815029449,1.1711829815029449,0.0
3-methyl-2-pentanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-pentanol,1,1.5141277326297755,1.5141277326297755,1.5141277326297755,1.5141277326297755,0.0
2-methyl-3-pentanol,1,1.2378743560016174,1.2378743560016174,1.2378743560016174,1.2378743560016174,0.0
3-methyl-3-pentanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-1-butanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-butanol",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-1-butanol",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-2-butanol",0,0.0,0.0,0.0,0.0,0.0
"3,3-dimethyl-2-butanol",0,0.0,0.0,0.0,0.0,0.0
1-heptanol,6,0.1508228897345837,1.7147984280919264,0.7850871169463196,0.8303656034108255,1.5639755383573428
2-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-heptanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-1-hexanol,1,0.37106368139083185,0.37106368139083185,0.37106368139083185,0.37106368139083185,0.0
3-methyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,3-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,4-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"4,4-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,3-dimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,4-dimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"4,4-dimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-3-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
2-ethyl-2-methyl-1-butanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-3-methyl-1-butanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,3-trimethyl-1-butanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,3-trimethyl-1-butanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,3-trimethyl-2-butanol",0,0.0,0.0,0.0,0.0,0.0
1-octanol,6,0.43078291609245417,1.6607312068216509,0.9937965226450137,0.9162907318741551,1.2299482907291968
2-octanol,0,0.0,0.0,0.0,0.0,0.0
3-octanol,0,0.0,0.0,0.0,0.0,0.0
4-octanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
6-methyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-2-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-heptanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-2-heptanol,0,0.0,0.0,0.0,0.0,0.0
6-methyl-2-heptanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,4-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
"5,5-dimethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-ethyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,4-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"4,4-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"5,5-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
2-propyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-2-methyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-4-methyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,3-trimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4,4-trimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-2-pentanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-4-methyl-2-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,3,3-trimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4,4-trimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,3,4-trimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,4,4-trimethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-3-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,3-trimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
3-methyl-2-(1-methylethyl)-1-butanol,0,0.0,0.0,0.0,0.0,0.0
1-nonanol,4,0.5276327420823718,2.2072749131897207,1.4847237169116356,1.601993606187225,1.679642171107349
2-nonanol,0,0.0,0.0,0.0,0.0,0.0
3-nonanol,0,0.0,0.0,0.0,0.0,0.0
4-nonanol,0,0.0,0.0,0.0,0.0,0.0
5-nonanol,0,0.0,0.0,0.0,0.0,0.0
6-methyl-1-octanol,0,0.0,0.0,0.0,0.0,0.0
7-methyl-1-octanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-octanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-octanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-3-octanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-4-octanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-4-octanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-4-octanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,6-dimethyl-2-heptanol",0,0.0,0.0,0.0,0.0,0.0
"4,6-dimethyl-2-heptanol",0,0.0,0.0,0.0,0.0,0.0
"5,6-dimethyl-2-heptanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-3-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,6-dimethyl-3-heptanol",0,0.0,0.0,0.0,0.0,0.0
4-ethyl-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,6-dimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
"3,3-dimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
2-ethyl-4-methyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
"3,4,4-trimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,5,5-trimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
"4,5,5-trimethyl-1-hexanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-2-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-ethyl-5-methyl-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,3-trimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,5-trimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,4,4-trimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,4,4-trimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-propyl-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-(1-methylethyl)-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2-ethyl-2,4-dimethyl-1-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4-tetramethyl-2-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3-ethyl-2,2-dimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3-ethyl-2,4-dimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,3,4-tetramethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4,4-tetramethylpentan-3-ol",0,0.0,0.0,0.0,0.0,0.0
1-decanol,5,0.9942522733438668,2.7333680090865,1.8273112818901538,1.6607312068216509,1.7391157357426332
2-decanol,0,0.0,0.0,0.0,0.0,0.0
4-decanol,0,0.0,0.0,0.0,0.0,0.0
5-decanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-1-nonanol,0,0.0,0.0,0.0,0.0,0.0
8-methyl-1-nonanol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-nonanol,0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-1-octanol",0,0.0,0.0,0.0,0.0,0.0
"3,7-dimethyl-1-octanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-3-octanol,0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethyl-3-octanol",0,0.0,0.0,0.0,0.0,0.0
"2,7-dimethyl-3-octanol",0,0.0,0.0,0.0,0.0,0.0
"3,6-dimethyl-3-octanol",0,0.0,0.0,0.0,0.0,0.0
"3,7-dimethyl-3-octanol",0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethyl-4-octanol",0,0.0,0.0,0.0,0.0,0.0
"4,7-dimethyl-4-octanol",0,0.0,0.0,0.0,0.0,0.0
2-propyl-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
3-(1-methylethyl)-1-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,5,6-trimethyl-2-heptanol",0,0.0,0.0,0.0,0.0,0.0
3-ethyl-2-methyl-3-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,3-trimethyl-3-heptanol",0,0.0,0.0,0.0,0.0,0.0
"3,5,5-trimethyl-3-heptanol",0,0.0,0.0,0.0,0.0,0.0
4-propyl-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
4-(1-methylethyl)-4-heptanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trimethyl-4-heptanol",0,0.0,0.0,0.0,0.0,0.0
2-butyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-propyl-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-(1-methylethyl)-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-2-(1-methylethyl)-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4-tetramethyl-2-hexanol",0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-(1-methylethyl)-3-hexanol,0,0.0,0.0,0.0,0.0,0.0
"4-ethyl-2,2-dimethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,3,4-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4,4-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,5,5-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,4,4,5-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
"3,4,5,5-tetramethyl-3-hexanol",0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-(2-methylpropyl)-1-pentanol,0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-3-propyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-3-(1-methylethyl)-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"3-ethyl-2,2,4-trimethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
"2,2,3,4,4-pentamethyl-3-pentanol",0,0.0,0.0,0.0,0.0,0.0
1-undecanol,0,0.0,0.0,0.0,0.0,0.0
1-dodecanol,2,0.8209805520698301,2.2072749131897207,1.5141277326297753,1.5141277326297753,1.3862943611198906
"2,6,8-trimethyl-4-nonanol",0,0.0,0.0,0.0,0.0,0.0
1-tridecanol,0,0.0,0.0,0.0,0.0,0.0
1-tetradecanol,2,-8.268731832117737,1.5141277326297755,-3.3773020497439807,-3.3773020497439807,9.782859564747513
1-pentadecanol,1,-8.006367567650246,-8.006367567650246,-8.006367567650246,-8.006367567650246,0.0
1-hexadecanol,2,0.5276327420823718,1.0498221244986776,0.7887274332905247,0.7887274332905247,0.5221893824163059
1-heptadecanol,1,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,0.0
1-octadecanol,2,0.09431067947124121,0.9675840262617057,0.5309473528664734,0.5309473528664734,0.8732733467904645
1-nonadecanol,0,0.0,0.0,0.0,0.0,0.0
1-eicosanol,0,0.0,0.0,0.0,0.0,0.0
1-docosanol,0,0.0,0.0,0.0,0.0,0.0
1-tetracosanol,0,0.0,0.0,0.0,0.0,0.0
cyclopentanol,1,-1.4586150226995167,-1.4586150226995167,-1.4586150226995167,-1.4586150226995167,0.0
cyclohexanol,3,-1.410986973710262,-0.7884573603642702,-1.160126059845532,-1.2809338454620642,0.6225296133459919
cycloheptanol,1,-1.4350845252893227,-1.4350845252893227,-1.4350845252893227,-1.4350845252893227,0.0
2-methylcyclohexanol,1,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,0.0
3-methylcyclohexanol,1,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,0.0
cyclododecanol,1,-1.2237754316221157,-1.2237754316221157,-1.2237754316221157,-1.2237754316221157,0.0
perhydrobisphenol a,0,0.0,0.0,0.0,0.0,0.0
"3-(5,5,6-trimethyl-2-norbornyl)cyclohexanol",0,0.0,0.0,0.0,0.0,0.0
"4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol",0,0.0,0.0,0.0,0.0,0.0
"4-((1R,2R,4R)-born-2-yl)cyclohexanol",0,0.0,0.0,0.0,0.0,0.0
2-propen-1-ol,4,-1.4586150226995167,-0.587786664902119,-0.8581740121803816,-0.6931471805599453,0.8708283577973978
2-propyn-1-ol,1,-1.3350010667323402,-1.3350010667323402,-1.3350010667323402,-1.3350010667323402,0.0
2-buten-1-ol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-3-buten-2-ol,2,0.44628710262841936,0.7550225842780328,0.6006548434532261,0.6006548434532261,0.30873548164961345
2-methyl-3-butyn-2-ol,1,-0.916290731874155,-0.916290731874155,-0.916290731874155,-0.916290731874155,0.0
3-methyl-1-pentyn-3-ol,0,0.0,0.0,0.0,0.0,0.0
1-octen-3-ol,1,2.0402208285265546,2.0402208285265546,2.0402208285265546,2.0402208285265546,0.0
bicyclo[2.2.1]heptan-2-ol,0,0.0,0.0,0.0,0.0,0.0
"3,7-dimethyl-1,6-octadien-3-ol",2,0.7765287894989965,1.6094379124341003,1.1929833509665484,1.1929833509665484,0.8329091229351038
"($E$)-3,7-dimethyl-2,6-octadien-1-ol",0,0.0,0.0,0.0,0.0,0.0
"tricyclo[3.3.1.1(3,7)]decan-1-ol",0,0.0,0.0,0.0,0.0,0.0
plinol,0,0.0,0.0,0.0,0.0,0.0
"3,7,11-trimethyl-2,6,10-dodecatrien-1-ol",0,0.0,0.0,0.0,0.0,0.0
($Z$)-9-octadecen-1-ol,0,0.0,0.0,0.0,0.0,0.0
dihydroabietyl alcohol,0,0.0,0.0,0.0,0.0,0.0
ethylestrenol,0,0.0,0.0,0.0,0.0,0.0
hydroxybenzene,23,-4.394449154672439,-0.6418538861723948,-2.5933517048020227,-2.772588722239781,3.7525952685000443
(hydroxymethyl)-benzene,5,-3.6109179126442243,-2.890371757896165,-3.2909514310763077,-3.367295829986474,0.7205461547480594
1-hydroxy-2-methylbenzene,12,-2.4849066497880004,-0.9555114450274365,-1.9187769637635703,-2.019768162863553,1.529395204760564
1-hydroxy-3-methylbenzene,7,-2.639057329615259,-1.4586150226995167,-2.191504636477341,-2.3978952727983707,1.1804423069157421
1-hydroxy-4-methylbenzene,11,-3.2188758248682006,-1.0647107369924282,-2.3322451743531207,-2.5649493574615367,2.1541650878757723
"1-hydroxy-2,3-dimethylbenzene",3,-2.5649493574615367,-2.2300144001592104,-2.3658496168715977,-2.3025850929940455,0.33493495730232636
"1-hydroxy-2,4-dimethylbenzene",9,-2.833213344056216,6.2659013928097425,-0.596540475497115,-1.589235205116581,9.099114736865959
"1-hydroxy-2,5-dimethylbenzene",2,-2.174751721484161,-2.0149030205422647,-2.0948273710132126,-2.0948273710132126,0.1598487009418963
"1-hydroxy-2,6-dimethylbenzene",3,-1.0647107369924282,-0.2623642644674911,-0.7199947081316744,-0.8329091229351039,0.8023464725249372
"1-hydroxy-3,4-dimethylbenzene",2,-3.1780538303479458,-3.1780538303479458,-3.1780538303479458,-3.1780538303479458,0.0
"1-hydroxy-3,5-dimethylbenzene",2,-2.772588722239781,-2.772588722239781,-2.772588722239781,-2.772588722239781,0.0
4-methylbenzenemethanol,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-methylbenzyl alcohol,0,0.0,0.0,0.0,0.0,0.0
"2,3,5-trimethylphenol",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trimethylphenol",0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trimethylphenol",0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-2-ethylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-3-ethylbenzene,2,-2.772588722239781,-1.589235205116581,-2.180911963678181,-2.180911963678181,1.1833535171232001
1-hydroxy-4-ethylbenzene,1,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,0.0
1-hydroxy-4-propylbenzene,1,-2.151762203259462,-2.151762203259462,-2.151762203259462,-2.151762203259462,0.0
2-(1-methylethyl)-phenol,0,0.0,0.0,0.0,0.0,0.0
2-phenylisopropanol,0,0.0,0.0,0.0,0.0,0.0
3-methyl-5-ethylphenol,0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trimethylphenol",0,0.0,0.0,0.0,0.0,0.0
"2-(1,1-dimethylethyl)phenol",0,0.0,0.0,0.0,0.0,0.0
2-(1-methylpropyl)phenol,0,0.0,0.0,0.0,0.0,0.0
4-(1-methylpropyl)-phenol,0,0.0,0.0,0.0,0.0,0.0
4-{\it tert}-butylphenol,3,-2.186051276738094,1.8971199848858813,-0.8212276711121246,-2.174751721484161,4.083171261623976
2-methyl-5-(1-methylethyl)-phenol,0,0.0,0.0,0.0,0.0,0.0
5-methyl-2-(1-methylethyl)-phenol,0,0.0,0.0,0.0,0.0,0.0
"2-(1,1-dimethylethyl)-4-methylphenol",0,0.0,0.0,0.0,0.0,0.0
"4-(1,1-dimethylpropyl)phenol",0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-4-octylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-4-nonylbenzene,0,0.0,0.0,0.0,0.0,0.0
"4-(1,1,3,3-tetramethylbutyl)-phenol",1,-0.8329091229351039,-0.8329091229351039,-0.8329091229351039,-0.8329091229351039,0.0
"2,6-bis(1,1-dimethylethyl)-4-methylphenol",0,0.0,0.0,0.0,0.0,0.0
"4-(3',5'-dimethyl-3'-heptyl)-phenol(+)",1,-1.0647107369924282,-1.0647107369924282,-1.0647107369924282,-1.0647107369924282,0.0
"4-(3',5'-dimethyl-3'-heptyl)-phenol(-)",1,-1.1939224684724346,-1.1939224684724346,-1.1939224684724346,-1.1939224684724346,0.0
2-phenylethanol,2,-3.6635616461296463,-3.6109179126442243,-3.6372397793869355,-3.6372397793869355,0.05264373348542195
3-phenyl-1-propanol,2,-5.19295685089021,-3.871201010907891,-4.532078930899051,-4.532078930899051,1.3217558399823193
4-phenyl-1-butanol,1,-1.9021075263969205,-1.9021075263969205,-1.9021075263969205,-1.9021075263969205,0.0
1-naphthalenol,1,-5.135798437050262,-5.135798437050262,-5.135798437050262,-5.135798437050262,0.0
2-naphthalenol,1,-5.886104031450156,-5.886104031450156,-5.886104031450156,-5.886104031450156,0.0
$o$-hydroxybiphenyl,0,0.0,0.0,0.0,0.0,0.0
$p$-hydroxybiphenyl,0,0.0,0.0,0.0,0.0,0.0
"2,4,6-tris(1,1-dimethylethyl)phenol",0,0.0,0.0,0.0,0.0,0.0
dehydroabietol,0,0.0,0.0,0.0,0.0,0.0
"2,2'-methylenebis(6-(1,1-dimethylethyl)-4-methylphenol)",0,0.0,0.0,0.0,0.0,0.0
"2,4-dinonylphenol",0,0.0,0.0,0.0,0.0,0.0
"1,2-ethanediol",2,-8.294049640102028,-5.075173815233827,-6.684611727667927,-6.684611727667927,3.218875824868201
"1,2-propanediol",0,0.0,0.0,0.0,0.0,0.0
"1,3-propanediol",1,-9.116029692504942,-9.116029692504942,-9.116029692504942,-9.116029692504942,0.0
"1,2,3-propanetriol",1,-6.363028103540465,-6.363028103540465,-6.363028103540465,-6.363028103540465,0.0
"1,2-butanediol",1,-5.8289456176102075,-5.8289456176102075,-5.8289456176102075,-5.8289456176102075,0.0
"1,3-butanediol",0,0.0,0.0,0.0,0.0,0.0
"1,4-butanediol",1,-6.802394763324311,-6.802394763324311,-6.802394763324311,-6.802394763324311,0.0
"2,3-butanediol",0,0.0,0.0,0.0,0.0,0.0
"2-methylpropane-1,3-diol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3-butanetriol",0,0.0,0.0,0.0,0.0,0.0
"1,2,4-butanetriol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-butanetetrol",0,0.0,0.0,0.0,0.0,0.0
"2($R$),3($S$)-1,2,3,4-butanetetrol",0,0.0,0.0,0.0,0.0,0.0
"1,2-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"1,4-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"1,5-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"2,3-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"2,4-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"2-(hydroxymethyl)-2-methyl-1,3-propanediol",0,0.0,0.0,0.0,0.0,0.0
"2,2-bis(hydroxymethyl)1,3-propanediol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5-pentanepentol",0,0.0,0.0,0.0,0.0,0.0
"(2R,3R,4S)-pentane-1,2,3,4,5-pentol",0,0.0,0.0,0.0,0.0,0.0
"(2R,3S,4S)-pentane-1,2,3,4,5-pentol",0,0.0,0.0,0.0,0.0,0.0
"(2R,4R)-pentane-1,2,3,4,5-pentol",0,0.0,0.0,0.0,0.0,0.0
"1,2-hexanediol",0,0.0,0.0,0.0,0.0,0.0
"1,6-hexanediol",0,0.0,0.0,0.0,0.0,0.0
"2,5-hexanediol",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-1,3-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2,4-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"1,2,6-hexanetriol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5,6-hexahydroxy hexane",0,0.0,0.0,0.0,0.0,0.0
"(2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",0,0.0,0.0,0.0,0.0,0.0
"(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol",0,0.0,0.0,0.0,0.0,0.0
"(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-cyclohexanetetrol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5,6-hexahydroxycyclohexane",0,0.0,0.0,0.0,0.0,0.0
"1,7-heptanediol",0,0.0,0.0,0.0,0.0,0.0
"2,4-heptanediol",0,0.0,0.0,0.0,0.0,0.0
"2,2-diethyl-1,3-propanediol",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5-pentahydroxyheptane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6-pentahydroxyheptane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,5,7-pentahydroxyheptane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5,6-hexahydroxyheptane",0,0.0,0.0,0.0,0.0,0.0
4-methylcyclohexanemethanol,0,0.0,0.0,0.0,0.0,0.0
"1,4-cyclohexanedimethanol",0,0.0,0.0,0.0,0.0,0.0
"2-ethyl-1,3-hexanediol",0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-1,3-pentanediol",0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyl-2,5-hexanediol",0,0.0,0.0,0.0,0.0,0.0
"1,9-nonanediol",0,0.0,0.0,0.0,0.0,0.0
"1,10-decanediol",0,0.0,0.0,0.0,0.0,0.0
"2-butene-1,4-diol",1,-5.8289456176102075,-5.8289456176102075,-5.8289456176102075,-5.8289456176102075,0.0
"2-butyne-1,4-diol",1,-7.600902459542082,-7.600902459542082,-7.600902459542082,-7.600902459542082,0.0
"1,2-dihydroxybenzene",0,0.0,0.0,0.0,0.0,0.0
"1,3-dihydroxybenzene",2,-11.302204433654575,-11.06663836234181,-11.184421397998193,-11.184421397998193,0.23556607131276586
"1,4-dihydroxybenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3-benzenetriol",0,0.0,0.0,0.0,0.0,0.0
hexylresorcinol,0,0.0,0.0,0.0,0.0,0.0
"2,6-bis(1,1-dimethylethyl)phenol",0,0.0,0.0,0.0,0.0,0.0
4-(1-methyl-1-phenylethyl)phenol,0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol",0,0.0,0.0,0.0,0.0,0.0
"4,4'-(3,3,5-trimethylcyclohexane-1,1-diyl)diphenol",0,0.0,0.0,0.0,0.0,0.0
"3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6'-tetrol",0,0.0,0.0,0.0,0.0,0.0
"9,9-bis(4-hydroxyphenyl)fluorene",0,0.0,0.0,0.0,0.0,0.0
methyl hydroperoxide,8,-2.4849066497880004,-0.916290731874155,-1.2530686509551392,-1.0986122886681098,1.5686159179138452
ethyl hydroperoxide,3,-2.3978952727983707,-1.1939224684724346,-1.59524673658108,-1.1939224684724346,1.2039728043259361
hydroxymethyl hydroperoxide,6,-9.740968623038354,-8.45531778769815,-9.49638117290677,-9.680344001221918,1.2856508353402045
bis-(hydroxymethyl)-peroxide,2,-11.502875129116727,-8.389359819906353,-9.94611747451154,-9.94611747451154,3.1135153092103742
{\it tert}-butyl hydroperoxide,0,0.0,0.0,0.0,0.0,0.0
di-{\it tert}-butylperoxide,0,0.0,0.0,0.0,0.0,0.0
1-methyl-1-phenylethylhydroperoxide,0,0.0,0.0,0.0,0.0,0.0
dicumyl peroxide,0,0.0,0.0,0.0,0.0,0.0
methylperoxy radical,0,0.0,0.0,0.0,0.0,0.0
hydroxymethylperoxy radical,0,0.0,0.0,0.0,0.0,0.0
peroxyacetyl radical,3,6.917805614835639,6.917805614835639,6.917805614835639,6.917805614835639,0.0
methanal,17,-4.941642422609305,3.1700856606987684,-3.352585951963491,-3.4657359027997265,8.111728083308073
ethanal,21,1.3862943611198906,4.074541934925921,2.0870119634491466,1.9661128563728327,2.68824757380603
propanal,12,2.0402208285265546,3.6119184129778077,2.3685157283453377,2.176428128687051,1.571697584451253
butanal,10,2.3538783873815965,2.9187712324178623,2.5305502862429825,2.4534079827286295,0.5648928450362658
2-methylpropanal,5,2.9759296462578115,5.132802928070463,3.5794214639527793,3.3813947543659757,2.1568732818126515
pentanal,9,2.645075401940822,3.2441936328524905,2.8246892281625615,2.703062659591171,0.5991182309116687
2-methylbutanal,1,3.7722610630529876,3.7722610630529876,3.7722610630529876,3.7722610630529876,0.0
3-methylbutanal,3,3.649658740960655,3.912023005428146,3.8083048625491718,3.863232841258714,0.26236426446749084
hexanal,8,2.8473122684357177,3.9633162998156966,3.1928098551073383,3.079113882493042,1.1160040313799788
2-methylpentanal,0,0.0,0.0,0.0,0.0,0.0
heptanal,6,2.8134107167600364,3.7722610630529876,3.314571932723736,3.2968373663379125,0.9588503462929512
octanal,7,-0.6931471805599453,3.9633162998156966,3.073362080978629,3.863232841258714,4.656463480375642
nonanal,6,2.645075401940822,4.976233867378923,4.196798207952653,4.3428059215206005,2.3311584654381012
2-ethylhexanal,0,0.0,0.0,0.0,0.0,0.0
"3,5,5-trimethylhexanal",0,0.0,0.0,0.0,0.0,0.0
decanal,4,1.7719568419318752,5.44914025628262,4.385025023678072,5.159501498248897,3.6771834143507447
undecanal,0,0.0,0.0,0.0,0.0,0.0
propenal,7,-0.7884573603642702,2.6310891599660815,1.847100209545163,2.302585092994046,3.4195465203303517
2-methylpropenal,3,2.7488721956224653,3.1700856606987684,2.9851707081318266,3.036554268074246,0.4212134650763031
2-butenal,0,0.0,0.0,0.0,0.0,0.0
($E$)-2-butenal,4,0.5276327420823718,0.6931471805599453,0.646817914116507,0.6832458669118554,0.16551443847757352
2-hexenal,0,0.0,0.0,0.0,0.0,0.0
($E$)-2-hexenal,2,1.6094379124341003,1.9661128563728327,1.7877753844034665,1.7877753844034665,0.35667494393873245
"($E$,$E$)-2,4-hexadienal",1,0.0,0.0,0.0,0.0,0.0
2-heptenal,0,0.0,0.0,0.0,0.0,0.0
($Z$)-4-heptenal,1,2.4304184645039304,2.4304184645039304,2.4304184645039304,2.4304184645039304,0.0
2-octenal,0,0.0,0.0,0.0,0.0,0.0
($E$)-2-octenal,1,2.0402208285265546,2.0402208285265546,2.0402208285265546,2.0402208285265546,0.0
($E$)-2-nonenal,1,2.8473122684357177,2.8473122684357177,2.8473122684357177,2.8473122684357177,0.0
"3,7-dimethyl-6-octenal",0,0.0,0.0,0.0,0.0,0.0
"3,7-dimethyl-2,6-octadienal",0,0.0,0.0,0.0,0.0,0.0
benzaldehyde,10,0.8209805520698301,1.1394342831883646,0.9818737135333441,0.9942522733438668,0.3184537311185345
phenylacetaldehyde,0,0.0,0.0,0.0,0.0,0.0
2-methylbenzaldehyde,0,0.0,0.0,0.0,0.0,0.0
3-methylbenzaldehyde,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzaldehyde,1,0.6161861394238168,0.6161861394238168,0.6161861394238168,0.6161861394238168,0.0
2-hydroxybenzaldehyde,0,0.0,0.0,0.0,0.0,0.0
3-hydroxybenzaldehyde,2,-8.268731832117737,-8.242756345714477,-8.255744088916106,-8.255744088916106,0.02597548640325975
4-hydroxybenzaldehyde,1,-9.852194258148577,-9.852194258148577,-9.852194258148577,-9.852194258148577,0.0
3-phenyl-2-propenal,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-amyl cinnamaldehyde,0,0.0,0.0,0.0,0.0,0.0
ethanedial,7,-13.102160670086809,-8.006367567650246,-9.70713591230873,-8.318742252692399,5.095793102436563
pentanedial,1,-5.703782474656201,-5.703782474656201,-5.703782474656201,-5.703782474656201,0.0
propanone,40,0.6348782724359694,6.969630682700225,1.6215962090541935,1.3470736479666092,6.334752410264255
propanone-2-13C,1,1.1711829815029449,1.1711829815029449,1.1711829815029449,1.1711829815029449,0.0
1-hydroxypropanone,1,-4.343805421853684,-4.343805421853684,-4.343805421853684,-4.343805421853684,0.0
butanone,37,0.8915981192837835,3.6119184129778077,1.927866922429833,1.7719568419318752,2.7203202936940243
"butanone-1,1,1,3,3-d5",1,0.9942522733438668,0.9942522733438668,0.9942522733438668,0.9942522733438668,0.0
2-pentanone,18,1.1711829815029449,2.7488721956224653,2.0935140933329466,2.1637692246949056,1.5776892141195205
3-pentanone,8,1.6094379124341003,9.24079957946089,2.9687573873773747,2.080242182363323,7.63136166702679
1-cyclopropyl-ethanone,0,0.0,0.0,0.0,0.0,0.0
3-methyl-2-butanone,2,2.2072749131897207,2.3330443004787544,2.2701596068342376,2.2701596068342376,0.12576938728903375
cyclopentanone,2,-0.0953101798043249,0.19845093872383823,0.05157037945975667,0.05157037945975667,0.2937611185281631
2-hexanone,8,1.8971199848858813,3.146555163288575,2.371012399099513,2.302585092994046,1.2494351784026936
"2-hexanone-1,1,1,3,3-d5",1,1.7719568419318752,1.7719568419318752,1.7719568419318752,1.7719568419318752,0.0
3-hexanone,1,2.5257286443082556,2.5257286443082556,2.5257286443082556,2.5257286443082556,0.0
3-methyl-2-pentanone,1,2.3434070875143007,2.3434070875143007,2.3434070875143007,2.3434070875143007,0.0
4-methyl-2-pentanone,11,1.203972804325936,3.816712825623821,2.7875430314190393,2.7333680090865,2.6127400212978853
2-methyl-3-pentanone,1,2.7488721956224653,2.7488721956224653,2.7488721956224653,2.7488721956224653,0.0
"3,3-dimethyl-2-butanone",1,2.7488721956224653,2.7488721956224653,2.7488721956224653,2.7488721956224653,0.0
cyclohexanone,2,-0.4700036292457356,0.19845093872383823,-0.13577634526094867,-0.13577634526094867,0.6684545679695738
2-heptanone,11,1.0498221244986776,3.2968373663379125,2.5764312784294807,2.6882475738060303,2.247015241839235
3-heptanone,1,3.7297014486341915,3.7297014486341915,3.7297014486341915,3.7297014486341915,0.0
4-heptanone,2,2.882403588246988,3.7722610630529876,3.327332325649988,3.327332325649988,0.8898574748059995
3-methyl-2-hexanone,1,3.4420193761824107,3.4420193761824107,3.4420193761824107,3.4420193761824107,0.0
4-methyl-2-hexanone,1,3.4112477175156566,3.4112477175156566,3.4112477175156566,3.4112477175156566,0.0
5-methyl-2-hexanone,1,3.6119184129778077,3.6119184129778077,3.6119184129778077,3.6119184129778077,0.0
2-methyl-3-hexanone,1,3.1941832122778293,3.1941832122778293,3.1941832122778293,3.1941832122778293,0.0
4-methyl-3-hexanone,1,3.2968373663379125,3.2968373663379125,3.2968373663379125,3.2968373663379125,0.0
5-methyl-3-hexanone,1,3.2968373663379125,3.2968373663379125,3.2968373663379125,3.2968373663379125,0.0
3-ethyl-2-pentanone,1,3.3813947543659757,3.3813947543659757,3.3813947543659757,3.3813947543659757,0.0
"3,3-dimethyl-2-pentanone",1,3.101092789211817,3.101092789211817,3.101092789211817,3.101092789211817,0.0
"3,4-dimethyl-2-pentanone",1,3.146555163288575,3.146555163288575,3.146555163288575,3.146555163288575,0.0
"4,4-dimethyl-2-pentanone",1,2.900422093749666,2.900422093749666,2.900422093749666,2.900422093749666,0.0
"2,2-dimethyl-3-pentanone",1,2.900422093749666,2.900422093749666,2.900422093749666,2.900422093749666,0.0
"2,4-dimethyl-3-pentanone",1,3.575550768806933,3.575550768806933,3.575550768806933,3.575550768806933,0.0
cycloheptanone,0,0.0,0.0,0.0,0.0,0.0
2-methylcyclohexanone,0,0.0,0.0,0.0,0.0,0.0
4-methylcyclohexanone,0,0.0,0.0,0.0,0.0,0.0
dicyclopropylmethanone,0,0.0,0.0,0.0,0.0,0.0
2-octanone,4,1.8971199848858813,2.9565115604007097,2.6916636665220026,2.9565115604007097,1.0593915755148284
3-octanone,0,0.0,0.0,0.0,0.0,0.0
4-octanone,0,0.0,0.0,0.0,0.0,0.0
6-methyl-3-heptanone,0,0.0,0.0,0.0,0.0,0.0
cyclohexyl methyl ketone,0,0.0,0.0,0.0,0.0,0.0
2-nonanone,4,3.1941832122778293,3.6119184129778077,3.4896198718072773,3.5761889309867354,0.4177352006999784
5-nonanone,2,3.3524072174927233,3.3813947543659757,3.3669009859293495,3.3669009859293495,0.028987536873252395
"2,6-dimethyl-4-heptanone",1,2.385966701933097,2.385966701933097,2.385966701933097,2.385966701933097,0.0
"2,2,4,4-tetramethyl-3-pentanone",0,0.0,0.0,0.0,0.0,0.0
2-decanone,2,3.863232841258714,4.268697949366879,4.065965395312796,4.065965395312796,0.40546510810816505
2-undecanone,3,4.135166556742356,5.149897361429764,4.494922998684015,4.199705077879927,1.0147308046874075
6-undecanone,0,0.0,0.0,0.0,0.0,0.0
2-dodecanone,1,6.165817934252759,6.165817934252759,6.165817934252759,6.165817934252759,0.0
2-tridecanone,1,7.308232845579262,7.308232845579262,7.308232845579262,7.308232845579262,0.0
2-tetradecanone,1,8.468403027246806,8.468403027246806,8.468403027246806,8.468403027246806,0.0
2-pentadecanone,1,9.826526511399999,9.826526511399999,9.826526511399999,9.826526511399999,0.0
2-hexadecanone,1,10.982297213908058,10.982297213908058,10.982297213908058,10.982297213908058,0.0
2-heptadecanone,1,12.454534004828673,12.454534004828673,12.454534004828673,12.454534004828673,0.0
menthone,1,2.8647040111475865,2.8647040111475865,2.8647040111475865,2.8647040111475865,0.0
"tricyclo[3.3.1.1(3,7)]decanone",0,0.0,0.0,0.0,0.0,0.0
3-buten-2-one,4,0.843970070294529,1.5606477482646683,1.1669955495999904,1.1316821899203822,0.7166776779701394
4-methyl-3-penten-2-one,0,0.0,0.0,0.0,0.0,0.0
1-phenylethanone,7,-0.0953101798043249,0.08338160893905121,0.01411729285278415,0.030459207484708654,0.1786917887433761
1-phenylethanone-d5,1,-0.8329091229351039,-0.8329091229351039,-0.8329091229351039,-0.8329091229351039,0.0
phenyl ethyl ketone,0,0.0,0.0,0.0,0.0,0.0
4-methoxy-4-methyl-2-pentanone,0,0.0,0.0,0.0,0.0,0.0
(4-methylphenyl)-ethanone,1,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,0.0
4-methoxyphenyl methyl ketone,0,0.0,0.0,0.0,0.0,0.0
2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one,1,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.0
benzophenone,0,0.0,0.0,0.0,0.0,0.0
"3,5,5-trimethyl-2-cyclohexen-1-one",2,-0.587786664902119,-0.5306282510621704,-0.5592074579821447,-0.5592074579821447,0.057158413839948574
bicyclo[2.2.1]heptan-2-one,0,0.0,0.0,0.0,0.0,0.0
4-methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexan-3-one,0,0.0,0.0,0.0,0.0,0.0
isopropyl phenyl ketone,0,0.0,0.0,0.0,0.0,0.0
carvone,0,0.0,0.0,0.0,0.0,0.0
thujone,0,0.0,0.0,0.0,0.0,0.0
9H-fluoren-9-one,0,0.0,0.0,0.0,0.0,0.0
anthrone,0,0.0,0.0,0.0,0.0,0.0
"1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trimethylbenzophenone",0,0.0,0.0,0.0,0.0,0.0
"1-(1,2,3,5,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one",0,0.0,0.0,0.0,0.0,0.0
"1-(2,3-dihydro-1,1,2,3,3,6-hexamethyl-1H-inden-5-yl)ethanone",0,0.0,0.0,0.0,0.0,0.0
celestolide,0,0.0,0.0,0.0,0.0,0.0
7H-benz[$de$]anthracen-7-one,0,0.0,0.0,0.0,0.0,0.0
"1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethanone",0,0.0,0.0,0.0,0.0,0.0
tonalid,0,0.0,0.0,0.0,0.0,0.0
"2,3-butanedione",9,-0.6418538861723948,0.9942522733438668,0.22908021103754475,0.3147107448397002,1.6361061595162616
"2,4-pentanedione",1,-0.5306282510621704,-0.5306282510621704,-0.5306282510621704,-0.5306282510621704,0.0
"1,2-naphthalenedione",0,0.0,0.0,0.0,0.0,0.0
"1,4-naphthalenedione",0,0.0,0.0,0.0,0.0,0.0
menadione,0,0.0,0.0,0.0,0.0,0.0
"2,6-di-{\it tert}-butyl-$p$-benzoquinone",0,0.0,0.0,0.0,0.0,0.0
"9,10-phenanthrenedione",0,0.0,0.0,0.0,0.0,0.0
dibenzoylmethane,0,0.0,0.0,0.0,0.0,0.0
"2-ethyl-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
"9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
methanoic acid,16,-4.867534450455582,-2.186051276738094,-3.9142775594491117,-3.9889840465642745,2.681483173717488
ethanoic acid,16,-4.59511985013459,-2.1041341542702074,-3.6452630862041824,-3.7587604253015154,2.4909856958643823
propanoic acid,7,-4.110873864173311,-2.70805020110221,-3.4463909001882986,-3.0910424533583156,1.4028236630711013
butanoic acid,6,-3.8501476017100584,-2.272125885509337,-3.1000085417797014,-2.890371757896165,1.5780217162007215
2-methylpropanoic acid,4,-4.02535169073515,-2.2617630984737906,-2.7707263337014205,-2.3978952727983707,1.763588592261359
pentanoic acid,5,-3.1354942159291497,-2.4849066497880004,-2.8730733753662516,-3.044522437723423,0.6505875661411493
2-methylbutanoic acid,0,0.0,0.0,0.0,0.0,0.0
3-methylbutanoic acid,5,-2.4849066497880004,-2.3978952727983707,-2.467504374390074,-2.4849066497880004,0.08701137698962969
"2,2-dimethylpropanoic acid",2,-1.252762968495368,-1.252762968495368,-1.252762968495368,-1.252762968495368,0.0
hexanoic acid,5,-2.70805020110221,-2.0149030205422647,-2.483560258805817,-2.5649493574615367,0.6931471805599454
2-methylpentanoic acid,0,0.0,0.0,0.0,0.0,0.0
2-ethylbutanoic acid,0,0.0,0.0,0.0,0.0,0.0
heptanoic acid,1,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,0.0
"4,4-dimethylpentanoic acid",0,0.0,0.0,0.0,0.0,0.0
2-ethyl-2-methylbutanoic acid,0,0.0,0.0,0.0,0.0,0.0
octanoic acid,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
2-ethylhexanoic acid,0,0.0,0.0,0.0,0.0,0.0
nonanoic acid,1,-1.9315214116032136,-1.9315214116032136,-1.9315214116032136,-1.9315214116032136,0.0
decanoic acid,1,-1.8718021769015913,-1.8718021769015913,-1.8718021769015913,-1.8718021769015913,0.0
"3,3,5,5-tetramethylhexanoic acid",0,0.0,0.0,0.0,0.0,0.0
undecanoic acid,0,0.0,0.0,0.0,0.0,0.0
dodecanoic acid,0,0.0,0.0,0.0,0.0,0.0
octadecanoic acid,0,0.0,0.0,0.0,0.0,0.0
propenoic acid,1,-3.1780538303479458,-3.1780538303479458,-3.1780538303479458,-3.1780538303479458,0.0
($E$)-2-butenoic acid,0,0.0,0.0,0.0,0.0,0.0
($Z$)-2-butenoic acid,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-propenoic acid,1,-3.2188758248682006,-3.2188758248682006,-3.2188758248682006,-3.2188758248682006,0.0
benzenecarboxylic acid,4,-5.66988092298052,-4.941642422609305,-5.25845117288528,-5.211140672975648,0.7282385003712148
sorbic acid,0,0.0,0.0,0.0,0.0,0.0
$D$(-)-isoascorbic acid,0,0.0,0.0,0.0,0.0,0.0
shikimic acid,0,0.0,0.0,0.0,0.0,0.0
4-hydroxybenzoic acid,0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trihydroxybenzoic acid",0,0.0,0.0,0.0,0.0,0.0
3-methylbenzoic acid,0,0.0,0.0,0.0,0.0,0.0
2-methylbenzoic acid,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzoic acid,0,0.0,0.0,0.0,0.0,0.0
2-hydroxy-benzoic acid,0,0.0,0.0,0.0,0.0,0.0
benzeneethanoic acid,0,0.0,0.0,0.0,0.0,0.0
phthalic anhydride,0,0.0,0.0,0.0,0.0,0.0
"1,2-benzenedicarboxylic acid",0,0.0,0.0,0.0,0.0,0.0
terephthalic acid,0,0.0,0.0,0.0,0.0,0.0
isophthalic acid,0,0.0,0.0,0.0,0.0,0.0
dehydroacetic acid,0,0.0,0.0,0.0,0.0,0.0
caffeic acid,0,0.0,0.0,0.0,0.0,0.0
4-methylphthalic anhydride,0,0.0,0.0,0.0,0.0,0.0
$p$-{\it tert}-butylbenzoic acid,0,0.0,0.0,0.0,0.0,0.0
"benzoic acid, anhydride",0,0.0,0.0,0.0,0.0,0.0
pyromellitic dianhydride,0,0.0,0.0,0.0,0.0,0.0
"($Z$,$Z$)-9,12-octadecadienoic acid",0,0.0,0.0,0.0,0.0,0.0
rosmarinic acid,0,0.0,0.0,0.0,0.0,0.0
ethanedioic acid,1,-11.141861783579396,-11.141861783579396,-11.141861783579396,-11.141861783579396,0.0
propanedioic acid,0,0.0,0.0,0.0,0.0,0.0
butanedioic acid,0,0.0,0.0,0.0,0.0,0.0
pentanedioic acid,1,-16.759949537130716,-16.759949537130716,-16.759949537130716,-16.759949537130716,0.0
hexanedioic acid,1,-12.100712129872347,-12.100712129872347,-12.100712129872347,-12.100712129872347,0.0
heptanedioic acid,0,0.0,0.0,0.0,0.0,0.0
octanedioic acid,0,0.0,0.0,0.0,0.0,0.0
nonanedioic acid,0,0.0,0.0,0.0,0.0,0.0
decanedioic acid,0,0.0,0.0,0.0,0.0,0.0
{\it cis}-butenedioic acid,0,0.0,0.0,0.0,0.0,0.0
methanoic peroxyacid,1,-3.367295829986474,-3.367295829986474,-3.367295829986474,-3.367295829986474,0.0
ethanoic peroxyacid,5,-3.1780538303479458,-1.8718021769015913,-2.254048277001797,-2.1162555148025524,1.3062516534463544
"1,3-dioxolan-2-one",0,0.0,0.0,0.0,0.0,0.0
"carbonic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
dimethyl dicarbonate,0,0.0,0.0,0.0,0.0,0.0
methyl methanoate,7,3.123565645063876,3.2441936328524905,3.1710628864110864,3.1941832122778293,0.12062798778861472
ethyl methanoate,5,3.3813947543659757,6.571283042360924,4.614748403679922,3.473768074496991,3.189888287994948
propyl methanoate,3,3.6119184129778077,3.649658740960655,3.6370786316330395,3.649658740960655,0.03774032798284743
isopropyl methanoate,1,4.422848629194137,4.422848629194137,4.422848629194137,4.422848629194137,0.0
(2-methylpropyl)-methanoate,1,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
"(1,1-dimethylethyl)-methanoate",1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
"methanoic acid, pentyl ester",0,0.0,0.0,0.0,0.0,0.0
isopentyl methanoate,1,4.199705077879927,4.199705077879927,4.199705077879927,4.199705077879927,0.0
"methanoic acid, hexyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl ethanoate,7,2.120263536200091,2.7181005369557116,2.4431473706886515,2.513306124309698,0.5978370007556206
ethyl ethanoate,12,2.4304184645039304,3.146555163288575,2.8615126578560948,2.8473122684357177,0.7161366987846445
ethyl ethanoate-1-13C,1,2.645075401940822,2.645075401940822,2.645075401940822,2.645075401940822,0.0
propyl ethanoate,4,3.101092789211817,3.123565645063876,3.1067110031748317,3.101092789211817,0.022472855852058604
"ethanoic acid, 2-propenyl ester",0,0.0,0.0,0.0,0.0,0.0
isopropyl ethanoate,2,3.3524072174927233,3.540459448995663,3.446433333244193,3.446433333244193,0.18805223150293982
"ethanol, 2-methoxy-, acetate",0,0.0,0.0,0.0,0.0,0.0
glycerol monoacetate,0,0.0,0.0,0.0,0.0,0.0
"1-propen-2-ol, acetate",0,0.0,0.0,0.0,0.0,0.0
butyl ethanoate,8,3.3524072174927233,3.863232841258714,3.5797571330219373,3.5410543330634576,0.5108256237659905
{\it sec}-butyl acetate,0,0.0,0.0,0.0,0.0,0.0
"acetic acid, 1,1-dimethylethyl ester",0,0.0,0.0,0.0,0.0,0.0
(2-methylpropyl)-ethanoate,1,3.816712825623821,3.816712825623821,3.816712825623821,3.816712825623821,0.0
pentyl ethanoate,3,3.3813947543659757,3.575550768806933,3.5108320973266136,3.575550768806933,0.19415601444095731
"1,2-propanediol, diacetate",0,0.0,0.0,0.0,0.0,0.0
"2-pentanol, acetate",0,0.0,0.0,0.0,0.0,0.0
isopentyl ethanoate,2,3.7297014486341915,4.074541934925921,3.902121691780056,3.902121691780056,0.34484048629172914
hexyl ethanoate,2,4.017383521085972,4.199705077879927,4.10854429948295,4.10854429948295,0.1823215567939549
4-methyl-2-pentyl ethanoate,0,0.0,0.0,0.0,0.0,0.0
"acetic acid, cyclohexyl ester",0,0.0,0.0,0.0,0.0,0.0
"ethanol, 2-(2-ethoxyethoxy)-, acetate",0,0.0,0.0,0.0,0.0,0.0
"acetic acid, phenyl ester",0,0.0,0.0,0.0,0.0,0.0
"acetic acid, phenylmethyl ester",0,0.0,0.0,0.0,0.0,0.0
2-ethylhexyl ethanoate,0,0.0,0.0,0.0,0.0,0.0
"ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate",0,0.0,0.0,0.0,0.0,0.0
1-methoxy-2-propyl ethanoate,0,0.0,0.0,0.0,0.0,0.0
2-ethoxyethyl ethanoate,1,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,0.0
2-butoxyethyl ethanoate,1,-0.587786664902119,-0.587786664902119,-0.587786664902119,-0.587786664902119,0.0
"2-(2-butoxyethoxy)-ethanol, ethanoate",0,0.0,0.0,0.0,0.0,0.0
"1,2-ethanediol, diethanoate",0,0.0,0.0,0.0,0.0,0.0
geranyl acetate,0,0.0,0.0,0.0,0.0,0.0
linalyl acetate,0,0.0,0.0,0.0,0.0,0.0
"cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate",0,0.0,0.0,0.0,0.0,0.0
methyl propanoate,3,2.8473122684357177,2.8647040111475865,2.858906763576963,2.8647040111475865,0.01739174271186883
methyl 2-hydroxypropanoate,0,0.0,0.0,0.0,0.0,0.0
ethyl propanoate,2,3.1941832122778293,3.270169119255751,3.2321761657667905,3.2321761657667905,0.07598590697792185
propyl propanoate,1,3.6888794541139363,3.6888794541139363,3.6888794541139363,3.6888794541139363,0.0
isopropyl propanoate,1,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
(2-methylpropyl)-propanoate,0,0.0,0.0,0.0,0.0,0.0
pentyl propanoate,1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
"propanoic acid, 2-hydroxy-, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
"propanoic acid, 2-phenylethyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl butanoate,3,3.036554268074246,3.2968373663379125,3.1233153008288017,3.036554268074246,0.26028309826366636
ethyl butanoate,3,3.540459448995663,3.7297014486341915,3.627359770202554,3.6119184129778077,0.1892419996385284
propyl butanoate,1,3.9633162998156966,3.9633162998156966,3.9633162998156966,3.9633162998156966,0.0
"butanoic acid, 2-methylpropyl ester",0,0.0,0.0,0.0,0.0,0.0
(2-methylpropyl)-2-methylpropanoate,2,4.605170185988092,4.961845129926823,4.783507657957458,4.783507657957458,0.35667494393873156
"2-methylpropanoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methylpropanoic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
cyclohexyl butanoate,0,0.0,0.0,0.0,0.0,0.0
"3-oxobutanoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"3-oxobutanoic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl pentanoate,2,3.473768074496991,3.473768074496991,3.473768074496991,3.473768074496991,0.0
ethyl pentanoate,1,3.6119184129778077,3.6119184129778077,3.6119184129778077,3.6119184129778077,0.0
"2-methylbutanoic acid, ethyl ester",2,3.6119184129778077,4.721704002244043,4.166811207610925,4.166811207610925,1.1097855892662354
"3-methylbutanoic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
"2,2-dimethylpropanoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl hexanoate,3,3.6119184129778077,3.9633162998156966,3.729051041923771,3.6119184129778077,0.35139788683788886
ethyl hexanoate,2,4.017383521085972,4.268697949366879,4.143040735226426,4.143040735226426,0.25131442828090655
"2-ethylbutanoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester",0,0.0,0.0,0.0,0.0,0.0
ethyl heptanoate,1,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
methyl octanoate,2,4.3428059215206005,4.615220521841593,4.479013221681097,4.479013221681097,0.2724146003209924
ethyl octanoate,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"octadecanoic acid, 2-methylpropyl ester",0,0.0,0.0,0.0,0.0,0.0
"octadecanoic acid, butyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl nonanoate,0,0.0,0.0,0.0,0.0,0.0
ethyl nonanoate,0,0.0,0.0,0.0,0.0,0.0
"nonanedioic acid, bis(2-ethylhexyl) ester",0,0.0,0.0,0.0,0.0,0.0
methyl decanoate,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
ethyl decanoate,1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
methyl dodecanoate,0,0.0,0.0,0.0,0.0,0.0
ethyl dodecanoate,0,0.0,0.0,0.0,0.0,0.0
propyl dodecanoate,0,0.0,0.0,0.0,0.0,0.0
butyl dodecanoate,0,0.0,0.0,0.0,0.0,0.0
2-ethylhexyl dodecanoate,0,0.0,0.0,0.0,0.0,0.0
methyl tetradecanoate,0,0.0,0.0,0.0,0.0,0.0
methyl hexadecanoate,0,0.0,0.0,0.0,0.0,0.0
isopropyl palmitate,0,0.0,0.0,0.0,0.0,0.0
ascorbic palmitate,0,0.0,0.0,0.0,0.0,0.0
methyl octadecanoate,0,0.0,0.0,0.0,0.0,0.0
methyl eicosanoate,0,0.0,0.0,0.0,0.0,0.0
methyl docosanoate,0,0.0,0.0,0.0,0.0,0.0
"cyclopropanecarboxylic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"cyclohexanecarboxylic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"($Z$,$Z$,$Z$)-9,12,15-octadecatrienoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"($Z$,$Z$)-9,12-octadecadienoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"($Z$)-9-octadecenoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"($Z$)-13-docosenoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
oxacyclohexadecan-2-one,1,5.521460917862246,5.521460917862246,5.521460917862246,5.521460917862246,0.0
2-{\it tert}-butylcyclohexyl acetate,0,0.0,0.0,0.0,0.0,0.0
"2-ethyl-3-oxo-butanoic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
"carbonic acid, diethyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-hydroxypropanoic acid, butyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl propenoate,0,0.0,0.0,0.0,0.0,0.0
ethyl propenoate,0,0.0,0.0,0.0,0.0,0.0
"2-propenoic acid, butyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-propenoic acid, 2-methylpropyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-propenoic acid, 2-ethylhexyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-propenoic acid, 2-hydroxyethyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, ethyl ester",1,4.135166556742356,4.135166556742356,4.135166556742356,4.135166556742356,0.0
"2-methyl-2-propenoic acid, 2-propenyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, oxiranylmethyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, propyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, butyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, 2-methylpropyl ester",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-2-propenoic acid, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester",0,0.0,0.0,0.0,0.0,0.0
methyl methacrylate,1,3.146555163288575,3.146555163288575,3.146555163288575,3.146555163288575,0.0
($E$)-3-hexenyl ethanoate,1,3.4112477175156566,3.4112477175156566,3.4112477175156566,3.4112477175156566,0.0
($Z$)-3-hexenyl ethanoate,1,3.473768074496991,3.473768074496991,3.473768074496991,3.473768074496991,0.0
ethenyl ethanoate,2,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
"3-(4-methoxyphenyl)-2-propenoic acid, 2-ethylhexyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl benzoate,2,0.5798184952529422,1.1711829815029449,0.8755007383779435,0.8755007383779435,0.5913644862500027
ethyl benzoate,2,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
2-hydroxybenzoic acid methyl ester,0,0.0,0.0,0.0,0.0,0.0
"benzoic acid, 4-methyl-, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"1,4-benzenedicarboxylic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
butyl benzoate,0,0.0,0.0,0.0,0.0,0.0
diphenyl carbonate,0,0.0,0.0,0.0,0.0,0.0
benzyl benzoate,0,0.0,0.0,0.0,0.0,0.0
dimethyl phthalate,4,-3.912023005428146,-3.1354942159291497,-3.454002608251481,-3.384246605824315,0.7765287894989963
"1,4-cyclohexanedicarboxylic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
"1,3-benzenedicarboxylic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
diethyl phthalate,4,-2.4849066497880004,1.5606477482646683,-0.716109593967415,-0.970089737173164,4.045554398052669
dipropyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diallyl phthalate,0,0.0,0.0,0.0,0.0,0.0
bis(2-methoxyethyl) phthalate,0,0.0,0.0,0.0,0.0,0.0
dibutyl phthalate,4,-3.5263605246161616,1.83258146374831,-1.4071353883163717,-1.9673812461988178,5.358941988364472
diisobutyl phthalate,0,0.0,0.0,0.0,0.0,0.0
"1,2-benzenedicarboxylic acid, butyl cyclohexyl ester",0,0.0,0.0,0.0,0.0,0.0
butyl glycolyl butyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diamyl phthalate,0,0.0,0.0,0.0,0.0,0.0
butyl benzyl phthalate,2,-4.605170185988091,-2.2617630984737906,-3.4334666422309406,-3.4334666422309406,2.3434070875143003
dihexyl phthalate,0,0.0,0.0,0.0,0.0,0.0
butyl 2-ethylhexyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diphenyl terephthalate,0,0.0,0.0,0.0,0.0,0.0
dicyclohexyl phthalate,0,0.0,0.0,0.0,0.0,0.0
bis(2-butoxyethyl) phthalate,0,0.0,0.0,0.0,0.0,0.0
diheptyl phthalate,0,0.0,0.0,0.0,0.0,0.0
dioctyl phthalate,1,-3.5263605246161616,-3.5263605246161616,-3.5263605246161616,-3.5263605246161616,0.0
diisooctyl phthalate,0,0.0,0.0,0.0,0.0,0.0
decyl hexyl phthalate,0,0.0,0.0,0.0,0.0,0.0
bis(2-ethylhexyl)-phthalate,2,-4.406719247264253,-3.5263605246161616,-3.9665398859402075,-3.9665398859402075,0.8803587226480918
bis(2-ethylhexyl) terephthalate,0,0.0,0.0,0.0,0.0,0.0
dinonyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diisononyl phthalate,0,0.0,0.0,0.0,0.0,0.0
didecyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diisodecyl phthalate,0,0.0,0.0,0.0,0.0,0.0
diundecyl phthalate,0,0.0,0.0,0.0,0.0,0.0
ditridecyl phthalate,0,0.0,0.0,0.0,0.0,0.0
"ethanedioic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
"propanedioic acid, dimethyl ester",1,-3.6375861597263857,-3.6375861597263857,-3.6375861597263857,-3.6375861597263857,0.0
"propanedioic acid, diethyl ester",0,0.0,0.0,0.0,0.0,0.0
"butanedioic acid, dimethyl ester",1,-3.4011973816621555,-3.4011973816621555,-3.4011973816621555,-3.4011973816621555,0.0
diethyl succinate,0,0.0,0.0,0.0,0.0,0.0
($Z$)-2-butenedioic acid dimethyl ester,0,0.0,0.0,0.0,0.0,0.0
diethyl pimelate,0,0.0,0.0,0.0,0.0,0.0
"1,3-benzenedicarboxylic acid, diethyl ester",0,0.0,0.0,0.0,0.0,0.0
"2,6-naphthalenedicarboxylic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
di-(2-ethylhexyl)-adipate,1,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,0.0
"peroxybenzoic acid, {\it tert}-butyl ester",0,0.0,0.0,0.0,0.0,0.0
"neodecaneperoxoic acid, 1,1-dimethylethyl ester",0,0.0,0.0,0.0,0.0,0.0
"neoheptaneperoxoic acid, 1-methyl-1-phenylethyl ester",0,0.0,0.0,0.0,0.0,0.0
hydroxypropyl acrylate,0,0.0,0.0,0.0,0.0,0.0
2-hydroxyethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
2-hydroxypropyl acrylate,0,0.0,0.0,0.0,0.0,0.0
dimethyl fumarate,0,0.0,0.0,0.0,0.0,0.0
"hexanedioic acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
methyl 4-hydroxybenzoate,0,0.0,0.0,0.0,0.0,0.0
diethyl fumarate,0,0.0,0.0,0.0,0.0,0.0
diethyl adipate,0,0.0,0.0,0.0,0.0,0.0
propyl 4-hydroxybenzoate,0,0.0,0.0,0.0,0.0,0.0
diethylene glycol diacrylate,0,0.0,0.0,0.0,0.0,0.0
"(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate",0,0.0,0.0,0.0,0.0,0.0
methyl jasmonate,0,0.0,0.0,0.0,0.0,0.0
cinoxate,0,0.0,0.0,0.0,0.0,0.0
trimethylolpropane triacrylate,0,0.0,0.0,0.0,0.0,0.0
benzyl cinnamate,0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-1,3-pentanediol diisobutyrate",0,0.0,0.0,0.0,0.0,0.0
"nonanedioic acid, dibutyl ester",0,0.0,0.0,0.0,0.0,0.0
isopropyl myristate,0,0.0,0.0,0.0,0.0,0.0
"decanedioic acid, dibutyl ester",0,0.0,0.0,0.0,0.0,0.0
diethylene glycol dibenzoate,0,0.0,0.0,0.0,0.0,0.0
"12-hydroxy-9-octadecenoic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"chrysanthemumic acid 2,4-dimethylbenzyl ester",0,0.0,0.0,0.0,0.0,0.0
tributyl acetylcitrate,0,0.0,0.0,0.0,0.0,0.0
"hexanedioic acid, dioctyl ester",1,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,0.0
diisooctyl adipate,0,0.0,0.0,0.0,0.0,0.0
"hexanedioic acid, bis[2-(2-butoxyethoxy)ethyl] ester",0,0.0,0.0,0.0,0.0,0.0
"1,2-benzenedicarboxylic acid, decyl octyl ester",0,0.0,0.0,0.0,0.0,0.0
"phthalic acid, isodecyl octyl ester",0,0.0,0.0,0.0,0.0,0.0
diisononyl hexahydrophthalate,0,0.0,0.0,0.0,0.0,0.0
"decanedioic acid, bis(2-ethylhexyl) ester",0,0.0,0.0,0.0,0.0,0.0
glycerol tricaprylate,0,0.0,0.0,0.0,0.0,0.0
tris(2-ethylhexyl) trimellitate,0,0.0,0.0,0.0,0.0,0.0
emamectin benzoate,0,0.0,0.0,0.0,0.0,0.0
dimethyl ether,2,4.615220521841593,4.62537289330561,4.620296707573601,4.620296707573601,0.010152371464017484
ethyl methyl ether,0,0.0,0.0,0.0,0.0,0.0
diethyl ether,9,2.3538783873815965,5.298317366548036,4.615236538552423,4.866534950122499,2.94443897916644
diethyl ether-d10,1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
methyl propyl ether,0,0.0,0.0,0.0,0.0,0.0
methyl 2-propyl ether,0,0.0,0.0,0.0,0.0,0.0
divinyl ether,1,7.523941418405954,7.523941418405954,7.523941418405954,7.523941418405954,0.0
methyl butyl ether,0,0.0,0.0,0.0,0.0,0.0
2-methoxybutane,0,0.0,0.0,0.0,0.0,0.0
methyl {\it tert}-butyl ether,10,3.4420193761824107,4.933674252960127,4.214347170971827,4.2019322530546175,1.4916548767777167
ethyl propyl ether,1,4.866534950122499,4.866534950122499,4.866534950122499,4.866534950122499,0.0
1-ethoxy-butane,1,5.051457288616511,5.051457288616511,5.051457288616511,5.051457288616511,0.0
ethyl {\it tert}-butyl ether,5,5.06720564558465,5.599422459331958,5.332983220894043,5.426150738057921,0.5322168137473078
2-methoxy-2-methylbutane,5,4.605170185988092,5.298317366548036,4.976084482316077,4.961845129926823,0.6931471805599445
dipropyl ether,6,5.403677882205863,6.2659013928097425,5.880684877987819,5.843044541989709,0.8622235106038794
diisopropyl ether,9,5.1672891041416324,6.917805614835639,5.61747813177695,5.44914025628262,1.7505165106940064
2-ethyl-2-ethoxypropane,0,0.0,0.0,0.0,0.0,0.0
dibutyl ether,4,6.119297918617867,6.6453910145146455,6.410048058151329,6.437751649736401,0.5260930958967789
diisobutyl ether,0,0.0,0.0,0.0,0.0,0.0
"1,1'-oxybispentane",0,0.0,0.0,0.0,0.0,0.0
"1,1'-oxybis(3-methylbutane)",0,0.0,0.0,0.0,0.0,0.0
"1,1'-oxybishexane",0,0.0,0.0,0.0,0.0,0.0
"1-ethoxy-3,7-dimethyloctane",0,0.0,0.0,0.0,0.0,0.0
methoxycyclohexane,0,0.0,0.0,0.0,0.0,0.0
methyl cedryl ether,0,0.0,0.0,0.0,0.0,0.0
dimethoxymethane,1,2.8647040111475865,2.8647040111475865,2.8647040111475865,2.8647040111475865,0.0
trimethoxymethane,0,0.0,0.0,0.0,0.0,0.0
"1,1-diethoxyethane",0,0.0,0.0,0.0,0.0,0.0
"1,2-diethoxyethane",1,2.120263536200091,2.120263536200091,2.120263536200091,2.120263536200091,0.0
"1,1,1-trimethoxyethane",0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethoxyethane",0,0.0,0.0,0.0,0.0,0.0
3-oxa-1-hexanol,0,0.0,0.0,0.0,0.0,0.0
3-oxa-1-heptanol,3,-2.5649493574615367,-0.9932517730102834,-1.6036546996557295,-1.252762968495368,1.5716975844512533
1-methoxy-2-propanol,2,-2.3978952727983707,-1.5686159179138452,-1.983255595356108,-1.983255595356108,0.8292793548845254
4-methyl-3-oxa-1-pentanol,1,-1.5686159179138452,-1.5686159179138452,-1.5686159179138452,-1.5686159179138452,0.0
"1,2-dibutoxyethane",0,0.0,0.0,0.0,0.0,0.0
"3,6-dioxa-1-decanol",1,-7.24422751560335,-7.24422751560335,-7.24422751560335,-7.24422751560335,0.0
"1,1'-[oxybis(2,1-ethanediyloxy)]bisbutane",0,0.0,0.0,0.0,0.0,0.0
methoxyethene,0,0.0,0.0,0.0,0.0,0.0
1-(ethenyloxy)butane,0,0.0,0.0,0.0,0.0,0.0
vinylisobutyl ether,0,0.0,0.0,0.0,0.0,0.0
methoxybenzene,6,2.6736487743848776,6.074846156047033,3.8449186584474293,3.595059094978159,3.4011973816621555
ethoxybenzene,2,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
"1,2-dimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
2-phenoxyethanol,0,0.0,0.0,0.0,0.0,0.0
2-(phenylmethoxy)-ethanol,0,0.0,0.0,0.0,0.0,0.0
"1,2,3-trimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
1-methoxy-4-(1-propenyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
2-methoxy-4-(2-propenyl)-phenol,0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethoxy-4-(2-propenyl)-benzene",0,0.0,0.0,0.0,0.0,0.0
diphenyl ether,0,0.0,0.0,0.0,0.0,0.0
(phenoxymethyl)-oxirane,0,0.0,0.0,0.0,0.0,0.0
1-dodecyl-4-phenoxybenzene,0,0.0,0.0,0.0,0.0,0.0
"2,2,4-trimethyl-4-(4-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)phenyl)pentane",0,0.0,0.0,0.0,0.0,0.0
di-{\it tert}-butyl {\it sec}-butylidene diperoxide,0,0.0,0.0,0.0,0.0,0.0
"peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl",0,0.0,0.0,0.0,0.0,0.0
"di-{\it tert}-butyl 1,1,4,4-tetramethyltetramethylene diperoxide",0,0.0,0.0,0.0,0.0,0.0
"1,4-bis(1-{\it tert}-butylperoxy-1-methyl-ethyl)benzene",0,0.0,0.0,0.0,0.0,0.0
2-furanmethanol,0,0.0,0.0,0.0,0.0,0.0
tetrahydropyran-2-methanol,0,0.0,0.0,0.0,0.0,0.0
oxirane,1,2.8473122684357177,2.8473122684357177,2.8473122684357177,2.8473122684357177,0.0
"1,2-epoxypropane",2,2.9565115604007097,2.9759296462578115,2.9662206033292606,2.9662206033292606,0.019418085857101808
phenyloxirane,0,0.0,0.0,0.0,0.0,0.0
oxacyclopentadiene,1,6.319968614080018,6.319968614080018,6.319968614080018,6.319968614080018,0.0
dibenzofuran,1,2.396895772465287,2.396895772465287,2.396895772465287,2.396895772465287,0.0
2-furancarboxaldehyde,0,0.0,0.0,0.0,0.0,0.0
tetrahydrofuran,2,1.5141277326297755,1.9661128563728327,1.7401202945013041,1.7401202945013041,0.4519851237430572
tetrahydrofuran-d8,1,1.469675970058942,1.469675970058942,1.469675970058942,1.469675970058942,0.0
2-methyltetrahydrofuran,0,0.0,0.0,0.0,0.0,0.0
"2,5-dimethyltetrahydrofuran",0,0.0,0.0,0.0,0.0,0.0
tetrahydropyran,1,2.5383074265151158,2.5383074265151158,2.5383074265151158,2.5383074265151158,0.0
3-methyltetrahydropyran,0,0.0,0.0,0.0,0.0,0.0
"3,4-dihydro-2H-pyran",0,0.0,0.0,0.0,0.0,0.0
"1,3-dioxolane",0,0.0,0.0,0.0,0.0,0.0
"1,3-dioxane",0,0.0,0.0,0.0,0.0,0.0
"1,4-dioxane",8,-0.8329091229351039,-0.3364722366212129,-0.6067906348520757,-0.7175422626446613,0.496436886313891
"1,4-dioxane-d8",1,-1.0296194171811581,-1.0296194171811581,-1.0296194171811581,-1.0296194171811581,0.0
"4-methyl-1,3-dioxolan-2-one",1,-4.941642422609305,-4.941642422609305,-4.941642422609305,-4.941642422609305,0.0
"1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane",3,2.120263536200091,2.882403588246988,2.6109616531744986,2.8302178350764176,0.762140052046897
"dibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
piperonal,0,0.0,0.0,0.0,0.0,0.0
paraldehyde,0,0.0,0.0,0.0,0.0,0.0
benzofuran,0,0.0,0.0,0.0,0.0,0.0
$\gamma$-nonalactone,0,0.0,0.0,0.0,0.0,0.0
"1,5,5,9-tetramethyl-13-oxatricyclo(8.3.0.0(4,9))tridecane",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[$g$]-2-benzopyran",0,0.0,0.0,0.0,0.0,0.0
"(1S-endo)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-ol",1,0.7985076962177716,0.7985076962177716,0.7985076962177716,0.7985076962177716,0.0
"(1R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol",1,1.0216512475319812,1.0216512475319812,1.0216512475319812,1.0216512475319812,0.0
2-(4-methyl-3-cyclohexen-1-yl)-2-propanol,1,-1.4816045409242156,-1.4816045409242156,-1.4816045409242156,-1.4816045409242156,0.0
"1,2-dimethyl-3-(1-methylethenyl)-cyclopentanol",0,0.0,0.0,0.0,0.0,0.0
1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane,1,3.2441936328524905,3.2441936328524905,3.2441936328524905,3.2441936328524905,0.0
"1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one",0,0.0,0.0,0.0,0.0,0.0
"2,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane",1,3.7722610630529876,3.7722610630529876,3.7722610630529876,3.7722610630529876,0.0
5-methyl-2-(1-methylethylidene)-cyclohexanone,0,0.0,0.0,0.0,0.0,0.0
"exo-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-oxy]ethanol",0,0.0,0.0,0.0,0.0,0.0
"4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one",1,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,0.0
oxoethanoic acid,2,-4.700480365792417,-4.700480365792417,-4.700480365792417,-4.700480365792417,0.0
hydroxyethanoic acid,2,-5.634789603169249,-5.634789603169249,-5.634789603169249,-5.634789603169249,0.0
2-hydroxyethanal,2,-6.897704943128636,-6.016157159698353,-6.456931051413495,-6.456931051413495,0.8815477834302827
propanonal,3,-5.91350300563827,-3.5263605246161616,-5.0693948420160675,-5.768320995793772,2.3871424810221082
2-oxopropanoic acid,6,-8.039157390473237,-8.006367567650246,-8.033692420002739,-8.039157390473237,0.032789822822991255
3-oxopropanoic acid,0,0.0,0.0,0.0,0.0,0.0
2-hydroxypropanoic acid,0,0.0,0.0,0.0,0.0,0.0
glycidaldehyde,0,0.0,0.0,0.0,0.0,0.0
trimethylene oxide,0,0.0,0.0,0.0,0.0,0.0
"2,3-dihydroxypropanal",0,0.0,0.0,0.0,0.0,0.0
dihydroxyacetone,0,0.0,0.0,0.0,0.0,0.0
2-methoxyethanol,3,-2.639057329615259,8.421883011611913,1.4337403803574793,-1.4816045409242156,11.060940341227171
4-oxobutanoic acid,0,0.0,0.0,0.0,0.0,0.0
"2,3-dihydroxybutanedioic acid",0,0.0,0.0,0.0,0.0,0.0
"3-oxapentane-1,5-diol",0,0.0,0.0,0.0,0.0,0.0
hydroxybutanedioic acid,0,0.0,0.0,0.0,0.0,0.0
2-ethoxyethanol,2,-3.4965075614664802,-2.186051276738094,-2.841279419102287,-2.841279419102287,1.310456284728386
2-methoxy-1-propanol,0,0.0,0.0,0.0,0.0,0.0
"1,1-dimethoxyethane",0,0.0,0.0,0.0,0.0,0.0
4-methylene-2-oxetanone,0,0.0,0.0,0.0,0.0,0.0
2(5H)-furanone,0,0.0,0.0,0.0,0.0,0.0
"2,2'-bioxirane",0,0.0,0.0,0.0,0.0,0.0
butyrolactone,0,0.0,0.0,0.0,0.0,0.0
ethyloxirane,0,0.0,0.0,0.0,0.0,0.0
"2,3-epoxy-2-methyl-1,4-butanediol",0,0.0,0.0,0.0,0.0,0.0
"2,3-epoxy-6-oxo-heptenal",0,0.0,0.0,0.0,0.0,0.0
3-hydroxy-2-butanone,1,0.5621189181535412,0.5621189181535412,0.5621189181535412,0.5621189181535412,0.0
2-(vinyloxy)ethanol,0,0.0,0.0,0.0,0.0,0.0
2-methyloxetane,0,0.0,0.0,0.0,0.0,0.0
5-oxopentanoic acid,0,0.0,0.0,0.0,0.0,0.0
2-oxopentanedioic acid,0,0.0,0.0,0.0,0.0,0.0
tetrahydro-2-furanmethanol,0,0.0,0.0,0.0,0.0,0.0
xylose,0,0.0,0.0,0.0,0.0,0.0
2-(2-methoxyethoxy)ethanol,0,0.0,0.0,0.0,0.0,0.0
"3,6-dioxaoctane-1,8-diol",0,0.0,0.0,0.0,0.0,0.0
2-oxepanone,0,0.0,0.0,0.0,0.0,0.0
glycidyl ether,0,0.0,0.0,0.0,0.0,0.0
4-hydroxy-4-methyl-2-pentanone,0,0.0,0.0,0.0,0.0,0.0
1-propoxy-2-propanol,0,0.0,0.0,0.0,0.0,0.0
2-(2-ethoxyethoxy)ethanol,0,0.0,0.0,0.0,0.0,0.0
"2,5,8-trioxanonane",0,0.0,0.0,0.0,0.0,0.0
oxydipropanol,0,0.0,0.0,0.0,0.0,0.0
$p$-benzoquinone,0,0.0,0.0,0.0,0.0,0.0
5-hydroxymethylfurfural,0,0.0,0.0,0.0,0.0,0.0
5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one,0,0.0,0.0,0.0,0.0,0.0
"2-hydroxy-1,2,3-propanetricarboxylic acid",0,0.0,0.0,0.0,0.0,0.0
(butoxymethyl)oxirane,0,0.0,0.0,0.0,0.0,0.0
"1-(1,1-dimethylethoxy)-2-propanol",0,0.0,0.0,0.0,0.0,0.0
2-[2-(2-methoxyethoxy)ethoxy]ethanol,0,0.0,0.0,0.0,0.0,0.0
2-methylp-benzoquinone,0,0.0,0.0,0.0,0.0,0.0
patulin,0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-3-methoxybenzene,1,-5.135798437050262,-5.135798437050262,-5.135798437050262,-5.135798437050262,0.0
mequinol,0,0.0,0.0,0.0,0.0,0.0
1-hydroxy-2-methoxybenzene,3,-2.2082744135228043,-1.6094379124341003,-1.9529775516055141,-2.0412203288596382,0.598836501088704
"1,4-dimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-methoxyphenol,2,-2.0412203288596382,-1.9600947840472698,-2.000657556453454,-2.000657556453454,0.08112554481236844
"1,3-dimethoxy-2-hydroxybenzene",2,-3.912023005428146,-3.6109179126442243,-3.761470459036185,-3.761470459036185,0.3011050927839216
"hexahydro-1,3-isobenzofurandione",0,0.0,0.0,0.0,0.0,0.0
1-methoxy-4-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
dimethoxane,0,0.0,0.0,0.0,0.0,0.0
metaldehyde,0,0.0,0.0,0.0,0.0,0.0
diethyl carbitol,0,0.0,0.0,0.0,0.0,0.0
2-[2-(2-ethoxyethoxy)ethoxy]ethanol,0,0.0,0.0,0.0,0.0,0.0
tetraethylene glycol,0,0.0,0.0,0.0,0.0,0.0
vanillin,0,0.0,0.0,0.0,0.0,0.0
ethylparaben,0,0.0,0.0,0.0,0.0,0.0
ethyl vanillin,0,0.0,0.0,0.0,0.0,0.0
1-phenoxypropan-2-ol,0,0.0,0.0,0.0,0.0,0.0
triacetin,0,0.0,0.0,0.0,0.0,0.0
tripropylene glycol,0,0.0,0.0,0.0,0.0,0.0
coumarin,0,0.0,0.0,0.0,0.0,0.0
"5-(1-propenyl)-1,3-benzodioxole",0,0.0,0.0,0.0,0.0,0.0
safrole,0,0.0,0.0,0.0,0.0,0.0
"5-propyl-1,3-benzodioxole",0,0.0,0.0,0.0,0.0,0.0
2-methoxy-4-(1-propenyl)phenol,0,0.0,0.0,0.0,0.0,0.0
$p$-cresyl glycidyl ether,0,0.0,0.0,0.0,0.0,0.0
4-(4-hydroxyphenyl)-2-butanone,0,0.0,0.0,0.0,0.0,0.0
guaifenesin,0,0.0,0.0,0.0,0.0,0.0
levomenthol,0,0.0,0.0,0.0,0.0,0.0
diethylene glycol hexyl ether,0,0.0,0.0,0.0,0.0,0.0
2-[2-(2-butoxyethoxy)ethoxy]ethanol,0,0.0,0.0,0.0,0.0,0.0
"4-methoxy-6-(2-propenyl)-1,3-benzodioxole",0,0.0,0.0,0.0,0.0,0.0
butylparaben,0,0.0,0.0,0.0,0.0,0.0
2-{\it tert}-butyl-4-methoxyphenol,0,0.0,0.0,0.0,0.0,0.0
3-hydroxy-2-naphthalenecarboxylic acid,0,0.0,0.0,0.0,0.0,0.0
arbutin,0,0.0,0.0,0.0,0.0,0.0
butopyronoxyl,0,0.0,0.0,0.0,0.0,0.0
diethylene glycol bis(methacrylate),0,0.0,0.0,0.0,0.0,0.0
dikegulac,0,0.0,0.0,0.0,0.0,0.0
propofol,0,0.0,0.0,0.0,0.0,0.0
lactitol,0,0.0,0.0,0.0,0.0,0.0
maltitol,0,0.0,0.0,0.0,0.0,0.0
naphthalic anhydride,0,0.0,0.0,0.0,0.0,0.0
methoxsalen,0,0.0,0.0,0.0,0.0,0.0
bisphenol F,0,0.0,0.0,0.0,0.0,0.0
ibuprofen,0,0.0,0.0,0.0,0.0,0.0
benzoyl peroxide,0,0.0,0.0,0.0,0.0,0.0
oxybenzone,0,0.0,0.0,0.0,0.0,0.0
resveratrol,0,0.0,0.0,0.0,0.0,0.0
pindone,0,0.0,0.0,0.0,0.0,0.0
"1,1'-[oxybis(methylene)]bisbenzene",0,0.0,0.0,0.0,0.0,0.0
"butanoic acid, 3,3-bis((1,1-dimethylethyl)dioxy)-, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
"1-hydroxy-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
danthron,0,0.0,0.0,0.0,0.0,0.0
bisphenol A,0,0.0,0.0,0.0,0.0,0.0
atractylenolide III,0,0.0,0.0,0.0,0.0,0.0
deoxynivalenol,0,0.0,0.0,0.0,0.0,0.0
nivalenol,0,0.0,0.0,0.0,0.0,0.0
tributyrin,0,0.0,0.0,0.0,0.0,0.0
diosmetin,0,0.0,0.0,0.0,0.0,0.0
shikonin,0,0.0,0.0,0.0,0.0,0.0
"2,2-bis(4-hydroxyphenyl)butane",0,0.0,0.0,0.0,0.0,0.0
"ethyl 3,3-bis({\it tert}-amylperoxy)butyrate",0,0.0,0.0,0.0,0.0,0.0
aflatoxin B1,0,0.0,0.0,0.0,0.0,0.0
aflatoxin G1,0,0.0,0.0,0.0,0.0,0.0
aflatoxin B2,0,0.0,0.0,0.0,0.0,0.0
aflatoxin G2,0,0.0,0.0,0.0,0.0,0.0
bisphenol C,0,0.0,0.0,0.0,0.0,0.0
PR-toxin,0,0.0,0.0,0.0,0.0,0.0
fusarenon X,0,0.0,0.0,0.0,0.0,0.0
dihydrotanshinone I,0,0.0,0.0,0.0,0.0,0.0
diethylstilbestrol,0,0.0,0.0,0.0,0.0,0.0
estrone,0,0.0,0.0,0.0,0.0,0.0
estradiol,0,0.0,0.0,0.0,0.0,0.0
estriol,0,0.0,0.0,0.0,0.0,0.0
nandrolone,0,0.0,0.0,0.0,0.0,0.0
diofenolan,1,-5.0106352940962555,-5.0106352940962555,-5.0106352940962555,-5.0106352940962555,0.0
dicumarol,0,0.0,0.0,0.0,0.0,0.0
coumatetralyl,0,0.0,0.0,0.0,0.0,0.0
warfarin,0,0.0,0.0,0.0,0.0,0.0
tanshinone II,0,0.0,0.0,0.0,0.0,0.0
gibberellic acid,0,0.0,0.0,0.0,0.0,0.0
prallethrin,0,0.0,0.0,0.0,0.0,0.0
testolactone,0,0.0,0.0,0.0,0.0,0.0
androstenedione,0,0.0,0.0,0.0,0.0,0.0
diacetoxyscirpenol,0,0.0,0.0,0.0,0.0,0.0
testosterone,0,0.0,0.0,0.0,0.0,0.0
5$\alpha$-androst-16-en-4-one,1,3.3813947543659757,3.3813947543659757,3.3813947543659757,3.3813947543659757,0.0
oxandrolone,0,0.0,0.0,0.0,0.0,0.0
piperonyl butoxide,0,0.0,0.0,0.0,0.0,0.0
methoprene,0,0.0,0.0,0.0,0.0,0.0
fluorescein,0,0.0,0.0,0.0,0.0,0.0
phenolphthalein,0,0.0,0.0,0.0,0.0,0.0
avobenzone,0,0.0,0.0,0.0,0.0,0.0
ethinyl estradiol,0,0.0,0.0,0.0,0.0,0.0
norethynodrel,0,0.0,0.0,0.0,0.0,0.0
norethindrone,0,0.0,0.0,0.0,0.0,0.0
methandrostenolone,0,0.0,0.0,0.0,0.0,0.0
cinerin I,0,0.0,0.0,0.0,0.0,0.0
17-methyltestosterone,0,0.0,0.0,0.0,0.0,0.0
drostanolone,0,0.0,0.0,0.0,0.0,0.0
curcumin,0,0.0,0.0,0.0,0.0,0.0
bisphenol A diglycidyl ether,0,0.0,0.0,0.0,0.0,0.0
mestranol,0,0.0,0.0,0.0,0.0,0.0
prednisone,0,0.0,0.0,0.0,0.0,0.0
norgestrel,0,0.0,0.0,0.0,0.0,0.0
levonorgestrel,0,0.0,0.0,0.0,0.0,0.0
pyrethrin I,0,0.0,0.0,0.0,0.0,0.0
cinerin II,0,0.0,0.0,0.0,0.0,0.0
prednisolone,0,0.0,0.0,0.0,0.0,0.0
dronabinol,0,0.0,0.0,0.0,0.0,0.0
progesterone,0,0.0,0.0,0.0,0.0,0.0
hydrocortisone,0,0.0,0.0,0.0,0.0,0.0
calusterone,0,0.0,0.0,0.0,0.0,0.0
oxymetholone,0,0.0,0.0,0.0,0.0,0.0
resmethrin,0,0.0,0.0,0.0,0.0,0.0
pyrethrin II,0,0.0,0.0,0.0,0.0,0.0
methylprednisolone,0,0.0,0.0,0.0,0.0,0.0
medroxyprogesterone,0,0.0,0.0,0.0,0.0,0.0
dimethirimol,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
rotenone,0,0.0,0.0,0.0,0.0,0.0
phenothrin,1,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,0.0
spiromesifen,0,0.0,0.0,0.0,0.0,0.0
digoxigenin,0,0.0,0.0,0.0,0.0,0.0
annatto,0,0.0,0.0,0.0,0.0,0.0
acequinocyl,0,0.0,0.0,0.0,0.0,0.0
T-2 mycotoxin,0,0.0,0.0,0.0,0.0,0.0
milk thistle extract,0,0.0,0.0,0.0,0.0,0.0
simvastatin,0,0.0,0.0,0.0,0.0,0.0
calcitriol,0,0.0,0.0,0.0,0.0,0.0
paricalcitol,0,0.0,0.0,0.0,0.0,0.0
cholecalciferol,0,0.0,0.0,0.0,0.0,0.0
cholesterol,0,0.0,0.0,0.0,0.0,0.0
ergosterol,0,0.0,0.0,0.0,0.0,0.0
dihydrotachysterol,0,0.0,0.0,0.0,0.0,0.0
etoposide,0,0.0,0.0,0.0,0.0,0.0
stigmasterol,0,0.0,0.0,0.0,0.0,0.0
pseudohypericin,0,0.0,0.0,0.0,0.0,0.0
gossypol,0,0.0,0.0,0.0,0.0,0.0
maslinic acid,0,0.0,0.0,0.0,0.0,0.0
difenacoum,0,0.0,0.0,0.0,0.0,0.0
nonoxynol 9,0,0.0,0.0,0.0,0.0,0.0
azadirachtin,0,0.0,0.0,0.0,0.0,0.0
monensin,0,0.0,0.0,0.0,0.0,0.0
gossyplure,0,0.0,0.0,0.0,0.0,0.0
capsanthin,0,0.0,0.0,0.0,0.0,0.0
digitoxin,0,0.0,0.0,0.0,0.0,0.0
digoxin,0,0.0,0.0,0.0,0.0,0.0
pyrethrum,0,0.0,0.0,0.0,0.0,0.0
punicalagin,0,0.0,0.0,0.0,0.0,0.0
abamectin,0,0.0,0.0,0.0,0.0,0.0
notoginsenoside R1,0,0.0,0.0,0.0,0.0,0.0
triolein,0,0.0,0.0,0.0,0.0,0.0
tristearin,0,0.0,0.0,0.0,0.0,0.0
cyanamide,0,0.0,0.0,0.0,0.0,0.0
methylhydrazine,0,0.0,0.0,0.0,0.0,0.0
methanamine,5,-0.3364722366212129,1.0498221244986776,0.2148501783798505,0.1165338162559514,1.3862943611198906
ethanamine,5,0.010050335853501286,1.0498221244986776,0.30324197976681994,0.22314355131420976,1.0397717886451763
"1H-1,2,4-triazole",0,0.0,0.0,0.0,0.0,0.0
dicyandiamide,0,0.0,0.0,0.0,0.0,0.0
ethylenimine,0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethylhydrazine",0,0.0,0.0,0.0,0.0,0.0
"1,1-dimethylhydrazine",0,0.0,0.0,0.0,0.0,0.0
1-propanamine,5,0.24846135929849955,0.6931471805599453,0.40121258194314713,0.40047756659712525,0.44468582126144574
2-propanamine,1,1.5141277326297755,1.5141277326297755,1.5141277326297755,1.5141277326297755,0.0
propanedinitrile,0,0.0,0.0,0.0,0.0,0.0
1-butanamine,6,0.4155154439616658,0.6539264674066639,0.552298047562222,0.5798184952529422,0.23841102344499815
2-butanamine,2,0.9162907318741551,2.7333680090865,1.8248293704803276,1.8248293704803276,1.817077277212345
2-methyl-1-propanamine,1,0.3285040669720359,0.3285040669720359,0.3285040669720359,0.3285040669720359,0.0
2-methyl-2-propanamine,1,1.2729656758128876,1.2729656758128876,1.2729656758128876,1.2729656758128876,0.0
"1,2-diethylhydrazine",0,0.0,0.0,0.0,0.0,0.0
"N-(2-aminoethyl)-1,2-ethanediamine",0,0.0,0.0,0.0,0.0,0.0
butanedinitrile,0,0.0,0.0,0.0,0.0,0.0
2-methyl-1H-imidazole,0,0.0,0.0,0.0,0.0,0.0
4-methyl-1H-imidazole,0,0.0,0.0,0.0,0.0,0.0
1-pentanamine,4,0.9162907318741551,1.1711829815029449,0.9800137942813525,0.9162907318741551,0.25489224962878976
3-methyl-1-butanamine,0,0.0,0.0,0.0,0.0,0.0
1-hexanamine,3,0.9942522733438668,1.1394342831883646,1.0910402799068653,1.1394342831883646,0.1451820098444978
"1,6-hexanediamine",0,0.0,0.0,0.0,0.0,0.0
"N,N'-methanetetraylbis-2-propanamine",0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-hexanamine,0,0.0,0.0,0.0,0.0,0.0
1-heptanamine,2,1.4271163556401458,1.4271163556401458,1.4271163556401458,1.4271163556401458,0.0
1-octanamine,2,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
2-ethyl-1-hexanamine,0,0.0,0.0,0.0,0.0,0.0
1-tridecanamine,1,2.407945608651872,2.407945608651872,2.407945608651872,2.407945608651872,0.0
dimethylamine,4,0.5621189181535412,1.203972804325936,0.7314321782463403,0.5798184952529422,0.6418538861723947
diethylamine,5,-0.2623642644674911,1.8971199848858813,0.897111365279397,0.9416085398584448,2.1594842493533726
dipropylamine,2,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
N-methylpropanamine,0,0.0,0.0,0.0,0.0,0.0
N-methyl-2-propanamine,0,0.0,0.0,0.0,0.0,0.0
N-(1-methylethyl)-2-propanamine,1,2.385966701933097,2.385966701933097,2.385966701933097,2.385966701933097,0.0
"N,N-dipropyl-1-propanamine",1,3.649658740960655,3.649658740960655,3.649658740960655,3.649658740960655,0.0
N-methyl-1-butanamine,0,0.0,0.0,0.0,0.0,0.0
dibutylamine,3,0.0,2.3330443004787544,1.5134397378894917,2.2072749131897207,2.3330443004787544
diisobutylamine,0,0.0,0.0,0.0,0.0,0.0
bis-(1-methylpropyl)-amine,0,0.0,0.0,0.0,0.0,0.0
tetraethylenepentamine,0,0.0,0.0,0.0,0.0,0.0
"N,N-di-2-propenyl-2-propen-1-amine",0,0.0,0.0,0.0,0.0,0.0
trimethylamine,4,1.8971199848858813,2.577021938695806,2.308991479903789,2.3809119980167344,0.6799019538099249
triethylamine,2,2.385966701933097,2.7181005369557116,2.552033619444404,2.552033619444404,0.33213383502261484
tributylamine,1,0.9162907318741551,0.9162907318741551,0.9162907318741551,0.9162907318741551,0.0
"N,N-dimethyl-1-dodecanamine",1,-1.3862943611198906,-1.3862943611198906,-1.3862943611198906,-1.3862943611198906,0.0
ethylenediamine,1,-8.66561319653451,-8.66561319653451,-8.66561319653451,-8.66561319653451,0.0
2-propen-1-amine,1,0.6161861394238168,0.6161861394238168,0.6161861394238168,0.6161861394238168,0.0
di-2-propenylamine,0,0.0,0.0,0.0,0.0,0.0
hexamethyleneimine,0,0.0,0.0,0.0,0.0,0.0
cyclohexanamine,2,-0.8754687373538999,0.05129329438755048,-0.4120877214831747,-0.4120877214831747,0.9267620317414503
3-methylcyclohexylamine,0,0.0,0.0,0.0,0.0,0.0
N-ethylcyclohexanamine,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethylcyclohexylamine",1,0.8675005677047231,0.8675005677047231,0.8675005677047231,0.8675005677047231,0.0
hexamethylenetetramine,0,0.0,0.0,0.0,0.0,0.0
1-decanamine,1,1.8971199848858813,1.8971199848858813,1.8971199848858813,1.8971199848858813,0.0
N-cyclohexylcyclohexanamine,0,0.0,0.0,0.0,0.0,0.0
1-dodecanamine,0,0.0,0.0,0.0,0.0,0.0
1-octadecanamine,0,0.0,0.0,0.0,0.0,0.0
"N,N-dioctyl-1-octanamine",0,0.0,0.0,0.0,0.0,0.0
aminobenzene,8,-1.6486586255873819,9.552830680922959,1.195069930879931,-0.13881586829913975,11.201489306510341
2-methylbenzenamine,2,-1.6094379124341003,-1.5260563034950492,-1.5677471079645748,-1.5677471079645748,0.08338160893905111
3-methylbenzenamine,1,-1.7749523509116738,-1.7749523509116738,-1.7749523509116738,-1.7749523509116738,0.0
4-methylbenzenamine,3,-2.5649493574615367,-1.4816045409242156,-1.8853306036066177,-1.6094379124341003,1.0833448165373212
2-ethylaniline,0,0.0,0.0,0.0,0.0,0.0
4-ethylaniline,0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
"3,4-dimethylbenzenamine",1,-1.667706820558076,-1.667706820558076,-1.667706820558076,-1.667706820558076,0.0
"2,5-dimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,6-dimethylbenzenamine",1,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,0.0
"2,4,5-trimethylbenzenamine",1,-1.3609765531356006,-1.3609765531356006,-1.3609765531356006,-1.3609765531356006,0.0
2-(1-methylethyl)-benzenamine,0,0.0,0.0,0.0,0.0,0.0
"2,6-diethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
"1,2-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"1,3-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-1,3-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"3-methyl-1,2-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"4-methyl-1,3-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"3,5-diaminotoluene",0,0.0,0.0,0.0,0.0,0.0
phenylhydrazine,0,0.0,0.0,0.0,0.0,0.0
(methylamino)-benzene,1,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,0.0
(ethylamino)-benzene,1,0.0,0.0,0.0,0.0,0.0
(dimethylamino)-benzene,1,1.9661128563728327,1.9661128563728327,1.9661128563728327,1.9661128563728327,0.0
benzeneethanamine,0,0.0,0.0,0.0,0.0,0.0
"2,3-dimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
"3,5-dimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
dimethylaniline,0,0.0,0.0,0.0,0.0,0.0
phenelzine,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
N-ethyl-3-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
N-(1-methylethyl)benzenamine,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-6-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethylbenzylamine",0,0.0,0.0,0.0,0.0,0.0
"N,N,4-trimethylbenzenamine",0,0.0,0.0,0.0,0.0,0.0
"N,N'-di-{\it tert}-butylethylenediamine",0,0.0,0.0,0.0,0.0,0.0
(diethylamino)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-naphthylamine,2,-5.075173815233827,-4.477336814478207,-4.776255314856017,-4.776255314856017,0.5978370007556197
2-naphthylamine,2,-4.787491742782046,-4.787491742782046,-4.787491742782046,-4.787491742782046,0.0
"1,5-naphthalenediamine",0,0.0,0.0,0.0,0.0,0.0
phentermine,0,0.0,0.0,0.0,0.0,0.0
"N,N-diethyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"3,5-diethyltoluene-2,6-diamine",0,0.0,0.0,0.0,0.0,0.0
"2,4-diethyl-6-methylbenzene-1,3-diamine",0,0.0,0.0,0.0,0.0,0.0
diphenylamine,1,-1.252762968495368,-1.252762968495368,-1.252762968495368,-1.252762968495368,0.0
benzidine,1,-3.2188758248682006,-3.2188758248682006,-3.2188758248682006,-3.2188758248682006,0.0
"1,1-diphenylhydrazine",0,0.0,0.0,0.0,0.0,0.0
"1,2-diphenylhydrazine",0,0.0,0.0,0.0,0.0,0.0
4-(phenylazo)-benzenamine,0,0.0,0.0,0.0,0.0,0.0
azobenzene,0,0.0,0.0,0.0,0.0,0.0
2-aminobiphenyl,0,0.0,0.0,0.0,0.0,0.0
4-aminobiphenyl,0,0.0,0.0,0.0,0.0,0.0
"N-phenyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
2-fluorenamine,0,0.0,0.0,0.0,0.0,0.0
"4,4'-methylenebisbenzenamine",0,0.0,0.0,0.0,0.0,0.0
2-anthracenamine,0,0.0,0.0,0.0,0.0,0.0
"3,3'-dimethylbenzidine",0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethyl-4-(phenylazo)-benzenamine",0,0.0,0.0,0.0,0.0,0.0
N-ethyl-N-phenylbenzenemethanamine,0,0.0,0.0,0.0,0.0,0.0
"N-(1-methylethyl)-N'-phenyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"4,4'-methylene-bis-(N-methylaniline)",0,0.0,0.0,0.0,0.0,0.0
C.I. Food Yellow 10,0,0.0,0.0,0.0,0.0,0.0
"3,3',5,5'-tetramethylbenzidine",0,0.0,0.0,0.0,0.0,0.0
N-phenyl-1-naphthalenamine,0,0.0,0.0,0.0,0.0,0.0
yellow OB,0,0.0,0.0,0.0,0.0,0.0
auramine,0,0.0,0.0,0.0,0.0,0.0
benzphetamine,0,0.0,0.0,0.0,0.0,0.0
"4,4'-methylenebis(N,N-dimethylbenzenamine)",0,0.0,0.0,0.0,0.0,0.0
phencyclidine,0,0.0,0.0,0.0,0.0,0.0
"N,N'-diphenyl-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"N-(1,3-dimethylbutyl)-N'-phenyl-1,4-phenylenediamine",0,0.0,0.0,0.0,0.0,0.0
amitraz,1,0.0,0.0,0.0,0.0,0.0
"N,N'-bis(1-ethyl-3-methylpentyl)-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"$p$,$p$'-benzylidenebis(N,N-dimethylaniline)",0,0.0,0.0,0.0,0.0,0.0
"N-phenyl-N-(2,4,4-trimethyl-2-pentanyl)-1-naphthalenamine",0,0.0,0.0,0.0,0.0,0.0
tris(2-ethylhexyl)amine,0,0.0,0.0,0.0,0.0,0.0
"4,4',4''-methylidyne-tris(N,N-dimethylbenzenamine)",0,0.0,0.0,0.0,0.0,0.0
N-phenylbenzenamide,0,0.0,0.0,0.0,0.0,0.0
"4,4',4''-methanetriyltris(N,N-diethylaniline)",0,0.0,0.0,0.0,0.0,0.0
pyrrolidine,0,0.0,0.0,0.0,0.0,0.0
1-pyrroline,1,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,0.0
3-pyrroline,0,0.0,0.0,0.0,0.0,0.0
N-methylpyrrolidine,0,0.0,0.0,0.0,0.0,0.0
piperidine,1,-1.0296194171811581,-1.0296194171811581,-1.0296194171811581,-1.0296194171811581,0.0
N-methylpiperidine,1,1.4271163556401458,1.4271163556401458,1.4271163556401458,1.4271163556401458,0.0
N-ethylpiperidine,0,0.0,0.0,0.0,0.0,0.0
"1,4-diazacyclohexane",0,0.0,0.0,0.0,0.0,0.0
N-methylpiperazine,0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethylpiperazine",0,0.0,0.0,0.0,0.0,0.0
cyromazine,0,0.0,0.0,0.0,0.0,0.0
1H-benzotriazole,0,0.0,0.0,0.0,0.0,0.0
1H-benzimidazole,0,0.0,0.0,0.0,0.0,0.0
2-ethenylpyridine,0,0.0,0.0,0.0,0.0,0.0
4-ethenylpyridine,0,0.0,0.0,0.0,0.0,0.0
"1,3,5-tricyclohexylhexahydro-1,3,5-triazine",0,0.0,0.0,0.0,0.0,0.0
1-piperazineethanamine,0,0.0,0.0,0.0,0.0,0.0
pyrrole,1,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.0
1-methyl-1H-pyrrole,0,0.0,0.0,0.0,0.0,0.0
pyridine,10,-0.0953101798043249,3.079113882493042,0.3857875048153604,0.010611818225813252,3.174424062297367
pyridine-d5,1,-1.4350845252893227,-1.4350845252893227,-1.4350845252893227,-1.4350845252893227,0.0
2-methylpyridine,4,0.010050335853501286,1.0788096613719298,0.2772401672331084,0.010050335853501286,1.0687593255184284
3-methylpyridine,5,-0.2623642644674911,0.8675005677047231,0.1393187827452133,-0.2623642644674911,1.1298648321722142
4-methylpyridine,4,-0.5306282510621704,-0.3364722366212129,-0.4669330919978223,-0.500315940153953,0.19415601444095748
4-aminopyridine,0,0.0,0.0,0.0,0.0,0.0
2-aminopyridine,0,0.0,0.0,0.0,0.0,0.0
2-ethylpyridine,2,0.5108256237659906,0.5108256237659906,0.5108256237659906,0.5108256237659906,0.0
3-ethylpyridine,2,0.05129329438755048,0.05129329438755048,0.05129329438755048,0.05129329438755048,0.0
4-ethylpyridine,2,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,0.0
"2,3-dimethylpyridine",3,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,0.0
"2,4-dimethylpyridine",4,-0.40546510810816444,0.010050335853501286,-0.301586247117748,-0.40546510810816444,0.41551544396166573
"2,5-dimethylpyridine",2,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,0.0
"2,6-dimethylpyridine",4,0.05129329438755048,0.4155154439616658,0.14499435911371356,0.056584349052818964,0.3642221495741153
"3,4-dimethylpyridine",2,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,-0.9932517730102834,0.0
"3,5-dimethylpyridine",2,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,0.0
5-ethyl-2-methylpyridine,0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trimethylpyridine",1,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,0.0
"4-(1,1-dimethylethyl)-pyridine",2,0.28768207245178085,0.28768207245178085,0.28768207245178085,0.28768207245178085,0.0
"2,6-bis-(1,1-dimethylethyl)-pyridine",1,7.1308988302963465,7.1308988302963465,7.1308988302963465,7.1308988302963465,0.0
1-methyl-1H-imidazole,0,0.0,0.0,0.0,0.0,0.0
amitrole,0,0.0,0.0,0.0,0.0,0.0
"1,3-diazine",0,0.0,0.0,0.0,0.0,0.0
"1,3,5-triazine-2,4,6-triamine",0,0.0,0.0,0.0,0.0,0.0
3-cyanopyridine,1,-3.58351893845611,-3.58351893845611,-3.58351893845611,-3.58351893845611,0.0
4-cyanopyridine,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
indole,1,-2.70805020110221,-2.70805020110221,-2.70805020110221,-2.70805020110221,0.0
2-methylpyrazine,1,-1.5040773967762742,-1.5040773967762742,-1.5040773967762742,-1.5040773967762742,0.0
2-ethylpyrazine,1,-1.3862943611198906,-1.3862943611198906,-1.3862943611198906,-1.3862943611198906,0.0
"2,5-dimethylpyrazine",1,-1.9600947840472698,-1.9600947840472698,-1.9600947840472698,-1.9600947840472698,0.0
"2,6-dimethylpyrazine",1,0.020202707317519254,0.020202707317519254,0.020202707317519254,0.020202707317519254,0.0
2-isobutylpyrazine,1,-0.6931471805599453,-0.6931471805599453,-0.6931471805599453,-0.6931471805599453,0.0
2-(1-methylpropyl)-pyrazine,0,0.0,0.0,0.0,0.0,0.0
5-ethenyl-2-methylpyridine,0,0.0,0.0,0.0,0.0,0.0
nornicotine,0,0.0,0.0,0.0,0.0,0.0
"2,4-diamino-6-phenyl-1,3,5-triazine",0,0.0,0.0,0.0,0.0,0.0
3-methylindole,0,0.0,0.0,0.0,0.0,0.0
"2,3-diethyl-5-methylpyrazine",1,0.21072103131565253,0.21072103131565253,0.21072103131565253,0.21072103131565253,0.0
benzo[$b$]pyridine,3,-3.6888794541139363,-1.8562979903656263,-3.052031785707929,-3.6109179126442243,1.83258146374831
benzo[$c$]pyridine,0,0.0,0.0,0.0,0.0,0.0
nicotine,0,0.0,0.0,0.0,0.0,0.0
"2,2'-bipyridine",0,0.0,0.0,0.0,0.0,0.0
4-methylquinoline,0,0.0,0.0,0.0,0.0,0.0
MEIQX,0,0.0,0.0,0.0,0.0,0.0
"3-(phenylazo)-2,6-pyridinediamine",0,0.0,0.0,0.0,0.0,0.0
"2-amino-9H-pyrido[2,3-b]indole",0,0.0,0.0,0.0,0.0,0.0
benzo[$f$]quinoline,0,0.0,0.0,0.0,0.0,0.0
carbazole,2,-4.532599493153256,2.7806208939370456,-0.8759892996081053,-0.8759892996081053,7.313220387090302
$o$-phenanthroline,0,0.0,0.0,0.0,0.0,0.0
benzyladenine,0,0.0,0.0,0.0,0.0,0.0
MEIQ,0,0.0,0.0,0.0,0.0,0.0
pyrimethanil,0,0.0,0.0,0.0,0.0,0.0
paraquat,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethyltryptamine",0,0.0,0.0,0.0,0.0,0.0
PHIP,0,0.0,0.0,0.0,0.0,0.0
"N,N'-diphenylguanidine",0,0.0,0.0,0.0,0.0,0.0
acridine,0,0.0,0.0,0.0,0.0,0.0
cyprodinil,0,0.0,0.0,0.0,0.0,0.0
imiquimod,0,0.0,0.0,0.0,0.0,0.0
benz[$c$]acridine,0,0.0,0.0,0.0,0.0,0.0
"6-pentyl-1,2,3,4,7,8,9,10-octahydrophenanthridine",0,0.0,0.0,0.0,0.0,0.0
2-diphenylmethylpiperidine,0,0.0,0.0,0.0,0.0,0.0
"7H-dibenzo[$c,g$]carbazole",0,0.0,0.0,0.0,0.0,0.0
"dibenz[$a,j$]acridine",0,0.0,0.0,0.0,0.0,0.0
"dibenz[$a,h$]acridine",0,0.0,0.0,0.0,0.0,0.0
cyano radical,0,0.0,0.0,0.0,0.0,0.0
hydrogen cyanide,7,1.7719568419318752,2.603690185777967,2.2695277510954712,2.2072749131897207,0.8317333438460919
ethane nitrile,17,0.5108256237659906,1.2378743560016174,0.796255761460625,0.7133498878774646,0.7270487322356268
propane nitrile,8,0.843970070294529,1.7719568419318752,1.346886965075817,1.3470736479666092,0.9279867716373462
butane nitrile,7,1.3093333199837622,2.0402208285265546,1.7083702617385366,1.6607312068216509,0.7308875085427924
2-methylpropane nitrile,1,2.364460496712133,2.364460496712133,2.364460496712133,2.364460496712133,0.0
pentane nitrile,2,1.8971199848858813,1.9661128563728327,1.9316164206293571,1.9316164206293571,0.06899287148695143
hexanenitrile,0,0.0,0.0,0.0,0.0,0.0
heptanenitrile,0,0.0,0.0,0.0,0.0,0.0
octanenitrile,0,0.0,0.0,0.0,0.0,0.0
nonanenitrile,0,0.0,0.0,0.0,0.0,0.0
decanenitrile,0,0.0,0.0,0.0,0.0,0.0
undecanenitrile,0,0.0,0.0,0.0,0.0,0.0
cyclohexanecarbonitrile,0,0.0,0.0,0.0,0.0,0.0
ethanedinitrile,1,6.319968614080018,6.319968614080018,6.319968614080018,6.319968614080018,0.0
hexanedinitrile,0,0.0,0.0,0.0,0.0,0.0
2-propenenitrile,5,2.120263536200091,2.407945608651872,2.230006776884225,2.2072749131897207,0.2876820724517808
2-methyl-2-propene nitrile,1,2.9187712324178623,2.9187712324178623,2.9187712324178623,2.9187712324178623,0.0
benzenenitrile,4,0.6931471805599453,4.017383521085972,1.7100007942328297,1.0647362376427005,3.324236340526027
2-pyridinecarbonitrile,0,0.0,0.0,0.0,0.0,0.0
2-methylpentanedinitrile,0,0.0,0.0,0.0,0.0,0.0
"3,3'-iminobispropanenitrile",0,0.0,0.0,0.0,0.0,0.0
2-methylbenzonitrile,0,0.0,0.0,0.0,0.0,0.0
3-methylbenzonitrile,0,0.0,0.0,0.0,0.0,0.0
benzeneacetonitrile,0,0.0,0.0,0.0,0.0,0.0
tetramethylbutanedinitrile,0,0.0,0.0,0.0,0.0,0.0
"1,2-benzenedicarbonitrile",0,0.0,0.0,0.0,0.0,0.0
"3,7-dimethyl-2,6-octadienenitrile",1,3.540459448995663,3.540459448995663,3.540459448995663,3.540459448995663,0.0
"2,2'-azobis(2-methylbutyronitrile)",0,0.0,0.0,0.0,0.0,0.0
formamide,0,0.0,0.0,0.0,0.0,0.0
methyl nitrite,0,0.0,0.0,0.0,0.0,0.0
urea,0,0.0,0.0,0.0,0.0,0.0
ethanolamine,1,-11.002099841204238,-11.002099841204238,-11.002099841204238,-11.002099841204238,0.0
"1,1'-azodiformamide",0,0.0,0.0,0.0,0.0,0.0
ethyl nitrite,0,0.0,0.0,0.0,0.0,0.0
"carbamic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
acetaldoxime,0,0.0,0.0,0.0,0.0,0.0
ethanamide,1,-8.575462099540212,-8.575462099540212,-8.575462099540212,-8.575462099540212,0.0
N-methylmethanamide,1,-7.313220387090301,-7.313220387090301,-7.313220387090301,-7.313220387090301,0.0
N-nitrosodimethylamine,4,-1.8082887711792655,1.203972804325936,-0.26225044702869393,-0.22234291063072298,3.0122615755052013
methylnitrosourea,1,-5.247024072160486,-5.247024072160486,-5.247024072160486,-5.247024072160486,0.0
nitrosoazetidine,1,-5.247024072160486,-5.247024072160486,-5.247024072160486,-5.247024072160486,0.0
methylnitrosoacetamide,1,2.4534079827286295,2.4534079827286295,2.4534079827286295,2.4534079827286295,0.0
ethylnitrosocyanamide,1,1.3470736479666092,1.3470736479666092,1.3470736479666092,1.3470736479666092,0.0
2-propenamide,0,0.0,0.0,0.0,0.0,0.0
methylvinylnitrosamine,0,0.0,0.0,0.0,0.0,0.0
urethane,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethylmethanamide",2,-5.393627546352362,-5.075173815233827,-5.234400680793094,-5.234400680793094,0.31845373111853537
N-methylacetamide,1,-8.070906088787817,-8.070906088787817,-8.070906088787817,-8.070906088787817,0.0
N-methyl-N-nitrosoethanamine,0,0.0,0.0,0.0,0.0,0.0
2-methoxyethanamine,0,0.0,0.0,0.0,0.0,0.0
2-(methylamino)ethanol,0,0.0,0.0,0.0,0.0,0.0
1-amino-2-propanol,0,0.0,0.0,0.0,0.0,0.0
N-nitroso-N-methylurethane,1,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.0
dinitrosopiperazine,1,-5.247024072160486,-5.247024072160486,-5.247024072160486,-5.247024072160486,0.0
2-amino-3(methylamino)propionic acid,0,0.0,0.0,0.0,0.0,0.0
N-nitrosodiethanolamine,0,0.0,0.0,0.0,0.0,0.0
N-nitrosodiethylamine,2,-1.7227665977411035,-0.3364722366212129,-1.0296194171811581,-1.0296194171811581,1.3862943611198906
diethanolamine,0,0.0,0.0,0.0,0.0,0.0
3-methoxy-1-propanamine,0,0.0,0.0,0.0,0.0,0.0
2-[(2-aminoethyl)amino]ethanol,0,0.0,0.0,0.0,0.0,0.0
tetramethylammonium hydroxide,0,0.0,0.0,0.0,0.0,0.0
acetone cyanohydrin,0,0.0,0.0,0.0,0.0,0.0
"carbamic acid, 1-methylethyl ester",0,0.0,0.0,0.0,0.0,0.0
propylcarbamate,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethylacetamide",1,-6.0867747269123065,-6.0867747269123065,-6.0867747269123065,-6.0867747269123065,0.0
"2-butanone, oxime",0,0.0,0.0,0.0,0.0,0.0
nitrosoethylurethane,0,0.0,0.0,0.0,0.0,0.0
N-nitroso-N-butylurea,0,0.0,0.0,0.0,0.0,0.0
methyldiethanolamine,0,0.0,0.0,0.0,0.0,0.0
methylbutylnitrosamine,1,-0.5306282510621704,-0.5306282510621704,-0.5306282510621704,-0.5306282510621704,0.0
methylpentylnitrosamine,1,-0.6931471805599453,-0.6931471805599453,-0.6931471805599453,-0.6931471805599453,0.0
ethylbutylnitrosamine,1,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.0
nitrosohexamethyleneimine,1,-3.7612001156935624,-3.7612001156935624,-3.7612001156935624,-3.7612001156935624,0.0
"2,6-dimethylnitrosomorpholine",1,-3.5553480614894135,-3.5553480614894135,-3.5553480614894135,-3.5553480614894135,0.0
"2,6-dimethyldinitrosopiperazine",1,-5.247024072160486,-5.247024072160486,-5.247024072160486,-5.247024072160486,0.0
N-(1-methylethyl)-2-propenamide,0,0.0,0.0,0.0,0.0,0.0
N-butylacetamide,1,-7.901007051992421,-7.901007051992421,-7.901007051992421,-7.901007051992421,0.0
N-(1-methylethyl)-N-nitroso-2-propanamine,1,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,0.0
N-nitrosodipropylamine,2,-0.587786664902119,-0.4700036292457356,-0.5288951470739273,-0.5288951470739273,0.11778303565638337
ethyldiethanolamine,0,0.0,0.0,0.0,0.0,0.0
triethanolamine,0,0.0,0.0,0.0,0.0,0.0
$o$-aminophenol,0,0.0,0.0,0.0,0.0,0.0
4-aminophenol,0,0.0,0.0,0.0,0.0,0.0
3-aminophenol,0,0.0,0.0,0.0,0.0,0.0
$p$-diaminoanisole,0,0.0,0.0,0.0,0.0,0.0
"4-methoxy-1,3-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
2-cyano-N-[(ethylamino)carbonyl]-2-(methoxyimino)acetamide,0,0.0,0.0,0.0,0.0,0.0
isocyanatocyclohexane,0,0.0,0.0,0.0,0.0,0.0
$L$-theanine,0,0.0,0.0,0.0,0.0,0.0
tetryl,0,0.0,0.0,0.0,0.0,0.0
anthranilic acid,0,0.0,0.0,0.0,0.0,0.0
4-aminobenzoic acid,0,0.0,0.0,0.0,0.0,0.0
salicylamide,0,0.0,0.0,0.0,0.0,0.0
mesalamine,0,0.0,0.0,0.0,0.0,0.0
N-phenylformamide,0,0.0,0.0,0.0,0.0,0.0
benzamide,2,-10.757902880692196,-10.596634733096073,-10.677268806894133,-10.677268806894133,0.1612681475961235
anthranilamide,0,0.0,0.0,0.0,0.0,0.0
N-methyl-N-nitrosobenzenamine,0,0.0,0.0,0.0,0.0,0.0
2-methoxy-benzenamine,1,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,0.0
3-methoxy-benzenamine,1,-4.499809670330265,-4.499809670330265,-4.499809670330265,-4.499809670330265,0.0
4-methoxy-benzenamine,2,-5.0106352940962555,-4.787491742782046,-4.899063518439151,-4.899063518439151,0.2231435513142097
4-(methylamino)phenol,0,0.0,0.0,0.0,0.0,0.0
defenuron,1,-13.652991628466498,-13.652991628466498,-13.652991628466498,-13.652991628466498,0.0
N-methyl-N-nitrosobenzenemethanamine,1,0.23572233352106978,0.23572233352106978,0.23572233352106978,0.23572233352106978,0.0
norepinephrine,0,0.0,0.0,0.0,0.0,0.0
4-methoxy-2-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
$p$-cresidine,0,0.0,0.0,0.0,0.0,0.0
N-nitrosodi-N-butylamine,1,0.3285040669720359,0.3285040669720359,0.3285040669720359,0.3285040669720359,0.0
(diisopropylamino)-ethanol,0,0.0,0.0,0.0,0.0,0.0
phthalamide,0,0.0,0.0,0.0,0.0,0.0
acetaminophen,0,0.0,0.0,0.0,0.0,0.0
methyl anthranilate,0,0.0,0.0,0.0,0.0,0.0
4'-aminoacetophenone,0,0.0,0.0,0.0,0.0,0.0
N-phenylacetamide,0,0.0,0.0,0.0,0.0,0.0
"methylcarbamic acid, 3-methylphenyl ester",0,0.0,0.0,0.0,0.0,0.0
"phenylcarbamic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
ethyl anthranilate,0,0.0,0.0,0.0,0.0,0.0
benzocaine,0,0.0,0.0,0.0,0.0,0.0
1-(4-aminophenyl)-1-propanone,0,0.0,0.0,0.0,0.0,0.0
(4-ethoxyphenyl)urea,0,0.0,0.0,0.0,0.0,0.0
fenuron,0,0.0,0.0,0.0,0.0,0.0
epinephrine,0,0.0,0.0,0.0,0.0,0.0
meprobamate,0,0.0,0.0,0.0,0.0,0.0
propamocarb,0,0.0,0.0,0.0,0.0,0.0
proximpham,1,-8.268731832117737,-8.268731832117737,-8.268731832117737,-8.268731832117737,0.0
dioxacarb,1,-13.415032991367148,-13.415032991367148,-13.415032991367148,-13.415032991367148,0.0
"phenol, 3,5-dimethyl-, methylcarbamate",1,-6.063785208687608,-6.063785208687608,-6.063785208687608,-6.063785208687608,0.0
"phenylcarbamic acid, 1-methylethyl ester",0,0.0,0.0,0.0,0.0,0.0
xylylcarb,1,-4.51085950651685,-4.51085950651685,-4.51085950651685,-4.51085950651685,0.0
phenacetin,0,0.0,0.0,0.0,0.0,0.0
ephedrine,0,0.0,0.0,0.0,0.0,0.0
$m$-cumenyl methylcarbamate,0,0.0,0.0,0.0,0.0,0.0
propoxur,0,0.0,0.0,0.0,0.0,0.0
methocarbamol,0,0.0,0.0,0.0,0.0,0.0
aminocarb,0,0.0,0.0,0.0,0.0,0.0
monodesmethylisoproturon,0,0.0,0.0,0.0,0.0,0.0
cycluron,0,0.0,0.0,0.0,0.0,0.0
methylneodecanamide,0,0.0,0.0,0.0,0.0,0.0
4-(phenylazo)phenol,0,0.0,0.0,0.0,0.0,0.0
N-nitrosodiphenylamine,1,4.199705077879927,4.199705077879927,4.199705077879927,4.199705077879927,0.0
carbaryl,4,-8.1886891244442,-4.59511985013459,-7.171247905993384,-7.950591324697372,3.593569274309611
"4,4'-oxybisbenzenamine",0,0.0,0.0,0.0,0.0,0.0
carbofuran,1,-4.59511985013459,-4.59511985013459,-4.59511985013459,-4.59511985013459,0.0
"phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate",1,-5.736572297479192,-5.736572297479192,-5.736572297479192,-5.736572297479192,0.0
fenobucarb,1,-5.0106352940962555,-5.0106352940962555,-5.0106352940962555,-5.0106352940962555,0.0
diethyltoluamide,0,0.0,0.0,0.0,0.0,0.0
"N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-urea",0,0.0,0.0,0.0,0.0,0.0
carisoprodol,0,0.0,0.0,0.0,0.0,0.0
diethylpropion,0,0.0,0.0,0.0,0.0,0.0
salbutamol,0,0.0,0.0,0.0,0.0,0.0
disperse blue 1,0,0.0,0.0,0.0,0.0,0.0
"3,3'-dimethoxybenzidine",0,0.0,0.0,0.0,0.0,0.0
aspartame,0,0.0,0.0,0.0,0.0,0.0
dinobuton,0,0.0,0.0,0.0,0.0,0.0
N-(2-methylcyclohexyl)-N'-phenylurea,0,0.0,0.0,0.0,0.0,0.0
butralin,0,0.0,0.0,0.0,0.0,0.0
lauramine oxide,0,0.0,0.0,0.0,0.0,0.0
2-aminoanthraquinone,0,0.0,0.0,0.0,0.0,0.0
"1-amino-2-methyl-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
N-2-fluorenylacetamide,0,0.0,0.0,0.0,0.0,0.0
metalaxyl,0,0.0,0.0,0.0,0.0,0.0
tebutam,1,-4.204692619390966,-4.204692619390966,-4.204692619390966,-4.204692619390966,0.0
isopropalin,0,0.0,0.0,0.0,0.0,0.0
metoprolol,0,0.0,0.0,0.0,0.0,0.0
"(3-methylphenyl)-carbamic acid, 3-[(methoxycarbonyl)amino]phenyl ester",0,0.0,0.0,0.0,0.0,0.0
fenam,0,0.0,0.0,0.0,0.0,0.0
difenoxuron,1,-17.840862248699423,-17.840862248699423,-17.840862248699423,-17.840862248699423,0.0
butacarb,0,0.0,0.0,0.0,0.0,0.0
oseltamivir,0,0.0,0.0,0.0,0.0,0.0
"N,N-bis(2-hydroxyethyl)dodecanamide",0,0.0,0.0,0.0,0.0,0.0
1-[(2-methoxyphenyl)azo]-2-naphthol,0,0.0,0.0,0.0,0.0,0.0
furalaxyl,1,-9.305650551780507,-9.305650551780507,-9.305650551780507,-9.305650551780507,0.0
fenoxycarb,0,0.0,0.0,0.0,0.0,0.0
bifenazate,1,-6.907755278982137,-6.907755278982137,-6.907755278982137,-6.907755278982137,0.0
napropamide,0,0.0,0.0,0.0,0.0,0.0
padimate O,0,0.0,0.0,0.0,0.0,0.0
nadolol,0,0.0,0.0,0.0,0.0,0.0
"2,6-di-{\it tert}-butyl-4-(dimethylaminomethyl)phenol",0,0.0,0.0,0.0,0.0,0.0
naptalam,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
citrus red 2,0,0.0,0.0,0.0,0.0,0.0
kresoxim-methyl,0,0.0,0.0,0.0,0.0,0.0
dinocap,0,0.0,0.0,0.0,0.0,0.0
capsaicin,0,0.0,0.0,0.0,0.0,0.0
($RS$)-$\alpha$-2-naphthoxypropionanilide,0,0.0,0.0,0.0,0.0,0.0
phenylbutazone,0,0.0,0.0,0.0,0.0,0.0
phenisopham,1,-9.472704636443673,-9.472704636443673,-9.472704636443673,-9.472704636443673,0.0
formoterol,0,0.0,0.0,0.0,0.0,0.0
benalaxyl,0,0.0,0.0,0.0,0.0,0.0
tralkoxydim,0,0.0,0.0,0.0,0.0,0.0
neotame,0,0.0,0.0,0.0,0.0,0.0
colchicine,0,0.0,0.0,0.0,0.0,0.0
tebufenozide,0,0.0,0.0,0.0,0.0,0.0
methoxyfenozide,0,0.0,0.0,0.0,0.0,0.0
propoxyphene,0,0.0,0.0,0.0,0.0,0.0
($Z$)-13-docosenamide,0,0.0,0.0,0.0,0.0,0.0
butroxydim,1,-9.740968623038354,-9.740968623038354,-9.740968623038354,-9.740968623038354,0.0
"2,2-bis[4-(4-aminophenoxy)phenyl]propane",0,0.0,0.0,0.0,0.0,0.0
"1,4-bis[(4-methylphenyl)amino]-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
mifepristone,0,0.0,0.0,0.0,0.0,0.0
"2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one",0,0.0,0.0,0.0,0.0,0.0
glutamic acid,0,0.0,0.0,0.0,0.0,0.0
asparagine,0,0.0,0.0,0.0,0.0,0.0
serine,0,0.0,0.0,0.0,0.0,0.0
glutamine,0,0.0,0.0,0.0,0.0,0.0
glycine,0,0.0,0.0,0.0,0.0,0.0
arginine,0,0.0,0.0,0.0,0.0,0.0
alanine,0,0.0,0.0,0.0,0.0,0.0
leucine,0,0.0,0.0,0.0,0.0,0.0
cyanuric acid,0,0.0,0.0,0.0,0.0,0.0
isoxazole,0,0.0,0.0,0.0,0.0,0.0
glycidamide,0,0.0,0.0,0.0,0.0,0.0
cyclonite,0,0.0,0.0,0.0,0.0,0.0
5-methyl-3-(2H)-isoxazolone,0,0.0,0.0,0.0,0.0,0.0
allantoin,0,0.0,0.0,0.0,0.0,0.0
2-pyrrolidinone,0,0.0,0.0,0.0,0.0,0.0
4-nitrosomorpholine,1,-5.966146739123692,-5.966146739123692,-5.966146739123692,-5.966146739123692,0.0
N-nitrosopyrrolidine,2,-5.247024072160486,-5.0106352940962555,-5.128829683128371,-5.128829683128371,0.23638877806423064
cyclotetramethylenetetranitramine,0,0.0,0.0,0.0,0.0,0.0
1-oxa-4-azacyclohexane,0,0.0,0.0,0.0,0.0,0.0
1-aziridineethanol,0,0.0,0.0,0.0,0.0,0.0
2-ethyl-3-methoxypyrazine,1,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.0
2-isobutyl-3-methoxypyrazine,2,1.6094379124341003,1.7719568419318752,1.6906973771829876,1.6906973771829876,0.1625189294977749
1-nitrosopiperidine,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
butyl carbamate,0,0.0,0.0,0.0,0.0,0.0
4-methyl-1-oxa-4-azacyclohexane,0,0.0,0.0,0.0,0.0,0.0
allopurinol,0,0.0,0.0,0.0,0.0,0.0
4-methoxypyridine,0,0.0,0.0,0.0,0.0,0.0
N-methyl-2-pyrrolidone,2,-8.039157390473237,-7.649692623711514,-7.844425007092376,-7.844425007092376,0.3894647667617228
"5,5-dimethyl-2,4-imidazolidinedione",0,0.0,0.0,0.0,0.0,0.0
2-azacycloheptanone,0,0.0,0.0,0.0,0.0,0.0
N-acetylpyrrolidine,1,-8.732304571033183,-8.732304571033183,-8.732304571033183,-8.732304571033183,0.0
glucosamine,0,0.0,0.0,0.0,0.0,0.0
N-ethylmorpholine,0,0.0,0.0,0.0,0.0,0.0
3-formylpyridine,1,-4.174387269895637,-4.174387269895637,-4.174387269895637,-4.174387269895637,0.0
4-formylpyridine,1,-4.02535169073515,-4.02535169073515,-4.02535169073515,-4.02535169073515,0.0
niacinamide,0,0.0,0.0,0.0,0.0,0.0
metronidazole,0,0.0,0.0,0.0,0.0,0.0
glydant,0,0.0,0.0,0.0,0.0,0.0
3-quinuclidinol,0,0.0,0.0,0.0,0.0,0.0
dinotefuran,0,0.0,0.0,0.0,0.0,0.0
"1,2,3-benzotriazin-4(1H)-one",0,0.0,0.0,0.0,0.0,0.0
4-acetylpyridine,1,-5.075173815233827,-5.075173815233827,-5.075173815233827,-5.075173815233827,0.0
3-acetylpyridine,1,-6.13122648948314,-6.13122648948314,-6.13122648948314,-6.13122648948314,0.0
theophylline,0,0.0,0.0,0.0,0.0,0.0
theobromine,0,0.0,0.0,0.0,0.0,0.0
2-pyridineethanol,0,0.0,0.0,0.0,0.0,0.0
caffeine,0,0.0,0.0,0.0,0.0,0.0
acyclovir,0,0.0,0.0,0.0,0.0,0.0
2-methoxy-3-(1-methylethyl)-pyrazine,0,0.0,0.0,0.0,0.0,0.0
simeton,0,0.0,0.0,0.0,0.0,0.0
N-isobutylmorpholine,0,0.0,0.0,0.0,0.0,0.0
phthalimide,0,0.0,0.0,0.0,0.0,0.0
furazolidone,0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6-tetrahydrophthalimide",0,0.0,0.0,0.0,0.0,0.0
N-nitrosonornicotine,0,0.0,0.0,0.0,0.0,0.0
"9-[(1,3-dihydroxy-2-propoxy)methyl]guanine",0,0.0,0.0,0.0,0.0,0.0
atraton,1,-7.696212639346407,-7.696212639346407,-7.696212639346407,-7.696212639346407,0.0
"4-hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxy",0,0.0,0.0,0.0,0.0,0.0
8-hydroxyquinoline,0,0.0,0.0,0.0,0.0,0.0
carbendazim,0,0.0,0.0,0.0,0.0,0.0
metamitron,1,-14.603967918328545,-14.603967918328545,-14.603967918328545,-14.603967918328545,0.0
pymetrozin,0,0.0,0.0,0.0,0.0,0.0
3-oxo-N-phenylbutanamide,0,0.0,0.0,0.0,0.0,0.0
"2,3'-didehydro-3'-deoxythymidine (stavudine)",0,0.0,0.0,0.0,0.0,0.0
cotinine,0,0.0,0.0,0.0,0.0,0.0
4-(N-nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone,0,0.0,0.0,0.0,0.0,0.0
9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine,0,0.0,0.0,0.0,0.0,0.0
anatoxin A,0,0.0,0.0,0.0,0.0,0.0
dimetilan,0,0.0,0.0,0.0,0.0,0.0
isolan,0,0.0,0.0,0.0,0.0,0.0
amicarbazone,1,-16.523560759066484,-16.523560759066484,-16.523560759066484,-16.523560759066484,0.0
prometone,0,0.0,0.0,0.0,0.0,0.0
secbumeton,1,-7.901007051992421,-7.901007051992421,-7.901007051992421,-7.901007051992421,0.0
terbumeton,0,0.0,0.0,0.0,0.0,0.0
kinetin,0,0.0,0.0,0.0,0.0,0.0
carbadox,0,0.0,0.0,0.0,0.0,0.0
bendiocarb,0,0.0,0.0,0.0,0.0,0.0
"2,3,5-trimethylphenol, methylcarbamate",0,0.0,0.0,0.0,0.0,0.0
butalbital,0,0.0,0.0,0.0,0.0,0.0
dexrazoxane,0,0.0,0.0,0.0,0.0,0.0
pentobarbital,0,0.0,0.0,0.0,0.0,0.0
pirimor,0,0.0,0.0,0.0,0.0,0.0
ethirimol,0,0.0,0.0,0.0,0.0,0.0
fenfuram,0,0.0,0.0,0.0,0.0,0.0
phenobarbital,0,0.0,0.0,0.0,0.0,0.0
triaziquone,0,0.0,0.0,0.0,0.0,0.0
triallyl cyanurate,0,0.0,0.0,0.0,0.0,0.0
entecavir,0,0.0,0.0,0.0,0.0,0.0
metaxalone,0,0.0,0.0,0.0,0.0,0.0
phendimetrazine,0,0.0,0.0,0.0,0.0,0.0
hexazinone,1,-4.59511985013459,-4.59511985013459,-4.59511985013459,-4.59511985013459,0.0
picaridin,0,0.0,0.0,0.0,0.0,0.0
pyrinuron,0,0.0,0.0,0.0,0.0,0.0
melatonin,0,0.0,0.0,0.0,0.0,0.0
"dibenz[$b,f$]][1,4]oxazepine",0,0.0,0.0,0.0,0.0,0.0
benomyl,0,0.0,0.0,0.0,0.0,0.0
trimethoprim,0,0.0,0.0,0.0,0.0,0.0
famciclovir,0,0.0,0.0,0.0,0.0,0.0
furmecyclox,1,-4.941642422609305,-4.941642422609305,-4.941642422609305,-4.941642422609305,0.0
oxcarbazepine,0,0.0,0.0,0.0,0.0,0.0
phenytoin,0,0.0,0.0,0.0,0.0,0.0
carbamazepine,0,0.0,0.0,0.0,0.0,0.0
propylthiouracil,0,0.0,0.0,0.0,0.0,0.0
ancymidol,0,0.0,0.0,0.0,0.0,0.0
imazethapyr,0,0.0,0.0,0.0,0.0,0.0
imazamox,0,0.0,0.0,0.0,0.0,0.0
cycloheximide,0,0.0,0.0,0.0,0.0,0.0
oxymatrine,0,0.0,0.0,0.0,0.0,0.0
mebendazole,0,0.0,0.0,0.0,0.0,0.0
fenpyroximate,1,-2.0281482472922856,-2.0281482472922856,-2.0281482472922856,-2.0281482472922856,0.0
imazamethabenz-methyl,0,0.0,0.0,0.0,0.0,0.0
nifedipine,0,0.0,0.0,0.0,0.0,0.0
oxymorphone,0,0.0,0.0,0.0,0.0,0.0
desomorphine,0,0.0,0.0,0.0,0.0,0.0
cocaine,0,0.0,0.0,0.0,0.0,0.0
"N-(2-ethylhexyl)-5-norbornene-2,3-dicarboximide",0,0.0,0.0,0.0,0.0,0.0
quinophthalone,0,0.0,0.0,0.0,0.0,0.0
tetramethrin,0,0.0,0.0,0.0,0.0,0.0
isoxaben,1,-8.961879012677683,-8.961879012677683,-8.961879012677683,-8.961879012677683,0.0
alfuzosin,0,0.0,0.0,0.0,0.0,0.0
pyriproxyfen,0,0.0,0.0,0.0,0.0,0.0
papaverine,0,0.0,0.0,0.0,0.0,0.0
fenazaquin,0,0.0,0.0,0.0,0.0,0.0
bitertanol,0,0.0,0.0,0.0,0.0,0.0
bitertanol diastereoisomer a,0,0.0,0.0,0.0,0.0,0.0
bitertanol diastereoisomer b,0,0.0,0.0,0.0,0.0,0.0
naltrexone,0,0.0,0.0,0.0,0.0,0.0
"$D$-lysergic acid N,N-diethylamide",0,0.0,0.0,0.0,0.0,0.0
ibogaine,0,0.0,0.0,0.0,0.0,0.0
fenpropimorph,0,0.0,0.0,0.0,0.0,0.0
strychnine,0,0.0,0.0,0.0,0.0,0.0
nalmefene,0,0.0,0.0,0.0,0.0,0.0
benztropine,0,0.0,0.0,0.0,0.0,0.0
stanozolol,0,0.0,0.0,0.0,0.0,0.0
azoxystrobin,0,0.0,0.0,0.0,0.0,0.0
famoxadone,0,0.0,0.0,0.0,0.0,0.0
tadalafil,0,0.0,0.0,0.0,0.0,0.0
bisacodyl,0,0.0,0.0,0.0,0.0,0.0
fentanyl,0,0.0,0.0,0.0,0.0,0.0
4-(triphenylmethyl)morpholine,1,-1.1631508098056809,-1.1631508098056809,-1.1631508098056809,-1.1631508098056809,0.0
brucine,0,0.0,0.0,0.0,0.0,0.0
mycophenolate mofetil,0,0.0,0.0,0.0,0.0,0.0
pinoxaden,0,0.0,0.0,0.0,0.0,0.0
valsartan,0,0.0,0.0,0.0,0.0,0.0
donepezil,0,0.0,0.0,0.0,0.0,0.0
2-[4-[4-(2-benzoxazolyl)styryl]phenyl]-5-methylbenzoxazole,0,0.0,0.0,0.0,0.0,0.0
"2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol",0,0.0,0.0,0.0,0.0,0.0
norbormide,0,0.0,0.0,0.0,0.0,0.0
reserpine,0,0.0,0.0,0.0,0.0,0.0
telaprevir,0,0.0,0.0,0.0,0.0,0.0
lopinavir,0,0.0,0.0,0.0,0.0,0.0
atazanavir,0,0.0,0.0,0.0,0.0,0.0
tylosin,0,0.0,0.0,0.0,0.0,0.0
nystatin,0,0.0,0.0,0.0,0.0,0.0
"1,3,5-tris(3,5-di-{\it tert}-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione",0,0.0,0.0,0.0,0.0,0.0
urea nitrate,0,0.0,0.0,0.0,0.0,0.0
methyl nitrate,4,3.649658740960655,3.912023005428146,3.846431939311273,3.912023005428146,0.26236426446749084
ethyl nitrate,3,4.135166556742356,4.135166556742356,4.135166556742356,4.135166556742356,0.0
1-propyl nitrate,5,4.509860006183766,4.9062752787720125,4.6292771997938456,4.509860006183766,0.3964152725882464
2-propyl nitrate,5,4.853631545286591,5.2030071867437115,4.956917490510648,4.853631545286591,0.3493756414571205
1-butyl nitrate,6,4.605170185988092,5.06720564558465,4.703481657839166,4.605170185988092,0.46203545959655834
2-butyl nitrate,6,5.051457288616511,5.426150738057921,5.116530923018103,5.051457288616511,0.37469344944141003
2-methyl-1-nitropropane,1,4.961845129926823,4.961845129926823,4.961845129926823,4.961845129926823,0.0
1-pentyl nitrate,2,4.422848629194137,5.0206856299497575,4.721767129571948,4.721767129571948,0.5978370007556206
2-pentyl nitrate,3,5.599422459331958,5.626821433520073,5.608555450727995,5.599422459331958,0.027398974188114877
3-pentyl nitrate,1,5.572754212249797,5.572754212249797,5.572754212249797,5.572754212249797,0.0
3-methyl-1-butanol nitrate,1,5.298317366548036,5.298317366548036,5.298317366548036,5.298317366548036,0.0
pentaerythritol tetranitrate,0,0.0,0.0,0.0,0.0,0.0
1-hexyl nitrate,1,4.879607031689852,4.879607031689852,4.879607031689852,4.879607031689852,0.0
2-nitrooxyethanol,4,-5.966146739123692,-5.940171252720432,-5.959652867522877,-5.966146739123692,0.02597548640326064
1-nitrooxy-2-propanol,5,-4.700480365792417,-4.189654742026425,-4.309222142177549,-4.189654742026425,0.5108256237659914
2-nitrooxy-1-propanol,5,-4.276666119016055,-3.784189633918261,-4.160768546598571,-4.276666119016055,0.4924764850977943
1-nitrooxy-2-butanol,2,-4.48863636973214,-4.04305126783455,-4.265843818783345,-4.265843818783345,0.4455851018975894
2-nitrooxy-1-butanol,2,-4.477336814478207,-4.07753744390572,-4.277437129191963,-4.277437129191963,0.39979937057248716
2-nitrooxy-3-butanol,1,-4.605170185988091,-4.605170185988091,-4.605170185988091,-4.605170185988091,0.0
3-nitrooxy-1-butanol,1,-4.941642422609305,-4.941642422609305,-4.941642422609305,-4.941642422609305,0.0
4-nitrooxy-1-butanol,1,-5.66988092298052,-5.66988092298052,-5.66988092298052,-5.66988092298052,0.0
4-nitrooxy-2-butanol,1,-4.867534450455582,-4.867534450455582,-4.867534450455582,-4.867534450455582,0.0
4-nitrooxy-1-pentanol,1,-5.298317366548036,-5.298317366548036,-5.298317366548036,-5.298317366548036,0.0
5-nitrooxy-2-pentanol,1,-5.886104031450156,-5.886104031450156,-5.886104031450156,-5.886104031450156,0.0
1-nitrooxy-2-propanone,3,-2.3025850929940455,-2.3025850929940455,-2.3025850929940455,-2.3025850929940455,0.0
"1,2-ethanediol dinitrate",4,-1.8405496333974871,0.24846135929849955,-1.3182968852234904,-1.8405496333974871,2.089010992695987
"1,2-propanediol dinitrate",4,-0.5306282510621704,1.1394342831883646,-0.11311261749953663,-0.5306282510621704,1.670062534250535
"1,3-propanediol dinitrate",1,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,0.0
"1,2,3-propanetriol trinitrate",0,0.0,0.0,0.0,0.0,0.0
"1,2-butanediol dinitrate",1,1.5606477482646683,1.5606477482646683,1.5606477482646683,1.5606477482646683,0.0
"1,3-butanediol dinitrate",1,0.5621189181535412,0.5621189181535412,0.5621189181535412,0.5621189181535412,0.0
"1,4-butanediol dinitrate",1,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,0.0
"2,3-butanediol dinitrate",1,2.120263536200091,2.120263536200091,2.120263536200091,2.120263536200091,0.0
"1,2-pentanediol dinitrate",1,2.0402208285265546,2.0402208285265546,2.0402208285265546,2.0402208285265546,0.0
"1,4-pentanediol dinitrate",1,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.9416085398584448,0.0
"1,5-pentanediol dinitrate",1,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,0.0
"(2R,4S)-2,4-pentanediol dinitrate",1,1.5141277326297755,1.5141277326297755,1.5141277326297755,1.5141277326297755,0.0
"(2R,4R)-2,4-pentanediol dinitrate",1,1.9661128563728327,1.9661128563728327,1.9661128563728327,1.9661128563728327,0.0
"1,2-hexanediol dinitrate",1,2.3434070875143007,2.3434070875143007,2.3434070875143007,2.3434070875143007,0.0
"1,5-hexanediol dinitrate",1,1.3093333199837622,1.3093333199837622,1.3093333199837622,1.3093333199837622,0.0
"1,6-hexanediol dinitrate",1,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,-0.40546510810816444,0.0
"2,5-hexanediol dinitrate",1,1.1711829815029449,1.1711829815029449,1.1711829815029449,1.1711829815029449,0.0
"(1R,2S)-1,2-cyclohexanediol dinitrate",1,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,0.0
"(1R,2R)-1,2-cyclohexanediol dinitrate",1,0.6539264674066639,0.6539264674066639,0.6539264674066639,0.6539264674066639,0.0
"(1R,3S)-1,3-cyclohexanediol dinitrate",1,-1.2237754316221157,-1.2237754316221157,-1.2237754316221157,-1.2237754316221157,0.0
"(1R,3R)-1,3-cyclohexanediol dinitrate",1,0.38566248081198456,0.38566248081198456,0.38566248081198456,0.38566248081198456,0.0
"1,7-heptanediol dinitrate",1,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,-0.0953101798043249,0.0
"(1R,2R)-1,2-cycloheptanediol dinitrate",1,0.1278333715098848,0.1278333715098848,0.1278333715098848,0.1278333715098848,0.0
"1,2-octanediol dinitrate",1,2.9565115604007097,2.9565115604007097,2.9565115604007097,2.9565115604007097,0.0
"1,8-octanediol dinitrate",1,0.24846135929849955,0.24846135929849955,0.24846135929849955,0.24846135929849955,0.0
"1,2-decanediol dinitrate",1,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
"1,10-decanediol dinitrate",1,0.843970070294529,0.843970070294529,0.843970070294529,0.843970070294529,0.0
diethylene glycol dinitrate,0,0.0,0.0,0.0,0.0,0.0
peroxyacetyl nitrate,10,3.0159349808715104,3.575550768806933,3.423131414019955,3.540459448995663,0.5596157879354227
peroxypropionyl nitrate,1,3.540459448995663,3.540459448995663,3.540459448995663,3.540459448995663,0.0
nitro butaneperoxoate,1,3.7722610630529876,3.7722610630529876,3.7722610630529876,3.7722610630529876,0.0
peroxy-2-propenoyl nitrate,1,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
peroxy-isobutyryl nitrate,1,4.615220521841593,4.615220521841593,4.615220521841593,4.615220521841593,0.0
isocyanic acid,1,1.5606477482646683,1.5606477482646683,1.5606477482646683,1.5606477482646683,0.0
hydroxyacetonitrile,0,0.0,0.0,0.0,0.0,0.0
2-hydroxypropanenitrile,0,0.0,0.0,0.0,0.0,0.0
3-hydroxypropanenitrile,0,0.0,0.0,0.0,0.0,0.0
"cyanoethanoic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
2-hydroxybenzoic acid nitrile,0,0.0,0.0,0.0,0.0,0.0
3-hydroxybenzoic acid nitrile,1,-8.242756345714477,-8.242756345714477,-8.242756345714477,-8.242756345714477,0.0
4-hydroxybenzoic acid nitrile,1,-9.392661928770137,-9.392661928770137,-9.392661928770137,-9.392661928770137,0.0
"1,1',1''-nitrilotris-2-propanol",0,0.0,0.0,0.0,0.0,0.0
cyometrinil,1,-9.305650551780507,-9.305650551780507,-9.305650551780507,-9.305650551780507,0.0
fenpropathrin,0,0.0,0.0,0.0,0.0,0.0
nitromethane,9,0.7985076962177716,3.3813947543659757,1.5338560953238833,1.0498221244986776,2.582887058148204
nitromethane-13C,1,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.0
nitroethane,6,-0.3364722366212129,1.5606477482646683,1.2367077481778728,1.5606477482646683,1.8971199848858813
1-nitropropane,5,1.83258146374831,2.2072749131897207,2.0321037725035387,2.0402208285265546,0.3746934494414107
2-nitropropane,5,2.2072749131897207,2.5257286443082556,2.4375542760015754,2.488914671185539,0.3184537311185349
1-nitrobutane,1,2.5902671654458267,2.5902671654458267,2.5902671654458267,2.5902671654458267,0.0
{\it tert}-butylnitrite,0,0.0,0.0,0.0,0.0,0.0
1-nitropentane,1,3.0576076772720784,3.0576076772720784,3.0576076772720784,3.0576076772720784,0.0
tris(hydroxymethyl)ethane trinitrate,0,0.0,0.0,0.0,0.0,0.0
1-nitrohexane,0,0.0,0.0,0.0,0.0,0.0
nitrocyclohexane,0,0.0,0.0,0.0,0.0,0.0
2-nitroethanol,0,0.0,0.0,0.0,0.0,0.0
1-nitro-2-propanol,0,0.0,0.0,0.0,0.0,0.0
2-nitro-1-propanol,0,0.0,0.0,0.0,0.0,0.0
1-nitro-2-butanol,0,0.0,0.0,0.0,0.0,0.0
2-nitro-1-butanol,0,0.0,0.0,0.0,0.0,0.0
3-nitro-2-butanol,0,0.0,0.0,0.0,0.0,0.0
nitroguanidine,0,0.0,0.0,0.0,0.0,0.0
tetranitromethane,0,0.0,0.0,0.0,0.0,0.0
N-methyl-N'-nitro-N-nitrosoguanidine,0,0.0,0.0,0.0,0.0,0.0
"2-(hydroxymethyl)-2-nitro-1,3-propanediol",0,0.0,0.0,0.0,0.0,0.0
nitrobenzene,13,-0.1823215567939546,3.7722610630529876,1.05451034954427,0.8675005677047231,3.954582619846942
nitrobenzene-d5,1,0.16251892949777474,0.16251892949777474,0.16251892949777474,0.16251892949777474,0.0
2-nitrotoluene,3,0.23572233352106978,2.563949857128453,1.5238763441937995,1.7719568419318752,2.3282275236073833
3-nitrotoluene,4,-0.0953101798043249,1.9661128563728327,1.277470302188557,1.6195392660928603,2.0614230361771577
4-nitrotoluene,2,-0.587786664902119,1.83258146374831,0.6223973994230956,0.6223973994230956,2.420368128650429
"1,2-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,3-dinitrobenzene",1,-5.298317366548036,-5.298317366548036,-5.298317366548036,-5.298317366548036,0.0
"1,4-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,3,5-trinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
2-nitrobenzenamine,2,-5.135798437050262,-4.605170185988091,-4.870484311519176,-4.870484311519176,0.5306282510621712
3-nitrobenzenamine,2,-7.090076835776092,-7.090076835776092,-7.090076835776092,-7.090076835776092,0.0
4-nitrobenzenamine,2,-9.546812608597396,-9.0595174822416,-9.303165045419497,-9.303165045419497,0.4872951263557965
"2,4-dinitrobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"1-methyl-2,3-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1-methyl-2,4-dinitrobenzene",4,-5.19295685089021,3.473768074496991,-0.2367495971232053,0.3860951939501991,8.666724925387202
"2-methyl-1,4-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2-methyl-1,3-dinitrobenzene",2,-0.1823215567939546,3.473768074496991,1.6457232588515183,1.6457232588515183,3.6560896312909454
"4-methyl-1,2-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1-methyl-2,4,6-trinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trinitro-1,3-dimethyl-5-{\it tert}-butylbenzene",1,1.1394342831883646,1.1394342831883646,1.1394342831883646,1.1394342831883646,0.0
2-nitrophenol,8,-0.3364722366212129,0.37106368139083185,0.09706398647022044,0.15143169722372238,0.7075359180120447
3-nitrophenol,3,-8.496990484098719,-5.075173815233827,-7.335325293936577,-8.433811582477187,3.421816668864892
4-nitrophenol,5,-10.165851817003619,-0.4700036292457356,-4.982347175498215,-5.3471075307174685,9.695848187757884
3-methyl-2-nitrophenol,1,-1.1631508098056809,-1.1631508098056809,-1.1631508098056809,-1.1631508098056809,0.0
4-methyl-2-nitrophenol,1,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.40047756659712525,0.0
5-methyl-2-nitrophenol,1,0.2613647641344075,0.2613647641344075,0.2613647641344075,0.2613647641344075,0.0
6-methyl-2-nitrophenol,1,1.2378743560016174,1.2378743560016174,1.2378743560016174,1.2378743560016174,0.0
3-methyl-4-nitrophenol,1,-6.429719478039138,-6.429719478039138,-6.429719478039138,-6.429719478039138,0.0
4-methoxy-2-nitrophenol,1,-1.667706820558076,-1.667706820558076,-1.667706820558076,-1.667706820558076,0.0
4-hydroxy-3-nitro-benzaldehyde,0,0.0,0.0,0.0,0.0,0.0
"2,4-dinitrophenol",2,-9.615805480084347,-4.700480365792417,-7.1581429229383815,-7.1581429229383815,4.915325114291931
"2,5-dinitrophenol",0,0.0,0.0,0.0,0.0,0.0
picramic acid,0,0.0,0.0,0.0,0.0,0.0
4-amino-2-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
2-amino-5-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
2-amino-4-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
4-nitro-$o$-phenylenediamine,0,0.0,0.0,0.0,0.0,0.0
"4-nitrobenzene-1,3-diamine",0,0.0,0.0,0.0,0.0,0.0
"2-nitro-1,4-benzenediamine",0,0.0,0.0,0.0,0.0,0.0
"4-methyl-2,6-dinitrophenol",1,-5.247024072160486,-5.247024072160486,-5.247024072160486,-5.247024072160486,0.0
"2-methyl-4,6-dinitrophenol",3,-3.7612001156935624,-1.9459101490553135,-2.5510068046013963,-1.9459101490553135,1.815289966638249
"2,4,6-trinitrobenzoic acid",0,0.0,0.0,0.0,0.0,0.0
5-nitrobenzimidazole,0,0.0,0.0,0.0,0.0,0.0
4-nitrobenzoic acid,0,0.0,0.0,0.0,0.0,0.0
dinitrotoluene,0,0.0,0.0,0.0,0.0,0.0
"1-methyl-3,5-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
1-methoxy-2-nitrobenzene,0,0.0,0.0,0.0,0.0,0.0
2-methyl-5-nitrobenzenamine,0,0.0,0.0,0.0,0.0,0.0
2-methoxy-5-nitrobenzenamine,0,0.0,0.0,0.0,0.0,0.0
(2-nitroethenyl)benzene,0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethyl-3-nitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2-dimethyl-4-nitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,4-dimethyl-2-nitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2,4-dimethyl-1-nitrobenzene",0,0.0,0.0,0.0,0.0,0.0
4-methyl-2-nitroanisole,0,0.0,0.0,0.0,0.0,0.0
1-(1-methylethyl)-4-nitrobenzene,0,0.0,0.0,0.0,0.0,0.0
"2-(1-methylpropyl)-4,6-dinitrophenol",2,-7.438383530044308,-0.7884573603642702,-4.113420445204289,-4.113420445204289,6.649926169680038
1-nitronaphthalene,1,-1.7227665977411035,-1.7227665977411035,-1.7227665977411035,-1.7227665977411035,0.0
dinoterb,1,0.07257069283483517,0.07257069283483517,0.07257069283483517,0.07257069283483517,0.0
4-(1-methylpropyl)-2-nitrophenol,1,2.302585092994046,2.302585092994046,2.302585092994046,2.302585092994046,0.0
musk ambrette (artificial),0,0.0,0.0,0.0,0.0,0.0
bis($p$-nitrophenyl) ether,0,0.0,0.0,0.0,0.0,0.0
4-nitro-N-phenylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
"2-cyclohexyl-4,6-dinitrophenol",0,0.0,0.0,0.0,0.0,0.0
dipicrylamine,0,0.0,0.0,0.0,0.0,0.0
"1,2-dihydro-5-nitroacenaphthylene",0,0.0,0.0,0.0,0.0,0.0
"4-nitro-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
2-nitro-9H-fluorene,0,0.0,0.0,0.0,0.0,0.0
"5-{\it tert}-butyl-4,6-dinitro-1,2,3-trimethylbenzene",0,0.0,0.0,0.0,0.0,0.0
penoxaline,1,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,0.0
"2,6-dinitro-4-octylphenol",0,0.0,0.0,0.0,0.0,0.0
musk ketone,1,-1.0986122886681098,-1.0986122886681098,-1.0986122886681098,-1.0986122886681098,0.0
moskene,0,0.0,0.0,0.0,0.0,0.0
9-ethyl-3-nitrocarbazole,0,0.0,0.0,0.0,0.0,0.0
"1-[(2,4-dinitrophenyl)azo]-2-naphthol",0,0.0,0.0,0.0,0.0,0.0
"3,7-dinitrofluoranthene",0,0.0,0.0,0.0,0.0,0.0
"1,6-dinitropyrene",0,0.0,0.0,0.0,0.0,0.0
"1,8-dinitropyrene",0,0.0,0.0,0.0,0.0,0.0
1-nitropyrene,0,0.0,0.0,0.0,0.0,0.0
4-nitropyrene,0,0.0,0.0,0.0,0.0,0.0
1-[(4-methyl-2-nitrophenyl)azo]-2-naphthalenol,0,0.0,0.0,0.0,0.0,0.0
phenyl 1-hydroxy-4-nitro-2-naphthoate,0,0.0,0.0,0.0,0.0,0.0
6-nitrochrysene,0,0.0,0.0,0.0,0.0,0.0
1-nitrobenzo[$a$]pyrene,0,0.0,0.0,0.0,0.0,0.0
3-nitrobenzo[$a$]pyrene,0,0.0,0.0,0.0,0.0,0.0
6-nitrobenzo[$a$]pyrene,0,0.0,0.0,0.0,0.0,0.0
fluoromethane,7,7.250245587928913,7.523941418405954,7.392526477099599,7.402051600796917,0.27369583047704094
difluoromethane,4,7.05857816871672,7.278818960372969,7.168698564544845,7.168698564544845,0.22024079165624855
trifluoromethane,7,8.87386813535497,9.210340371976184,8.986304536078308,8.947976107508692,0.33647223662121384
tetrafluoromethane,12,13.027053197600004,13.227723893062155,13.107543884749875,13.097968295319612,0.20067069546215066
fluoroethane,1,7.728735831051967,7.728735831051967,7.728735831051967,7.728735831051967,0.0
"1,1-difluoroethane",5,7.542633551418106,7.902007552326004,7.657634095378123,7.600902459542082,0.3593740009078976
"1,1,1,2-tetrafluoroethane",4,8.517193191416238,8.740336742730447,8.6551050959878,8.681445224902255,0.22314355131420882
pentafluoroethane,1,10.26016249647486,10.26016249647486,10.26016249647486,10.26016249647486,0.0
hexafluoroethane,4,14.246293474056728,14.450388830400243,14.358637378495184,14.368933604761882,0.20409535634351528
1-fluoropropane,1,7.402051600796917,7.402051600796917,7.402051600796917,7.402051600796917,0.0
2-fluoropropane,1,7.4524824544238095,7.4524824544238095,7.4524824544238095,7.4524824544238095,0.0
"1,1,1,2,2-pentafluoropropane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,3,3,3-hexafluoropropane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,3,3,3-heptafluoropropane",1,11.176453228349015,11.176453228349015,11.176453228349015,11.176453228349015,0.0
octafluoropropane,1,15.935774094164366,15.935774094164366,15.935774094164366,15.935774094164366,0.0
octafluorocyclobutane,5,12.89921982609012,13.633189001170319,13.454378083084865,13.553146293496782,0.7339691750801993
dodecafluoropentane,0,0.0,0.0,0.0,0.0,0.0
fluorocyclohexane,0,0.0,0.0,0.0,0.0,0.0
1-fluoroheptane,0,0.0,0.0,0.0,0.0,0.0
hexadecafluoroheptane,0,0.0,0.0,0.0,0.0,0.0
1-fluorooctane,0,0.0,0.0,0.0,0.0,0.0
eicosafluorononane,0,0.0,0.0,0.0,0.0,0.0
perfluoroundecane,0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodocosane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorohexacosane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorohexacosane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorooctacosane",0,0.0,0.0,0.0,0.0,0.0
"1,1-difluoroethene",1,10.596634733096073,10.596634733096073,10.596634733096073,10.596634733096073,0.0
tetrafluoroethene,3,11.042921835724492,11.533128172287748,11.206323947912244,11.042921835724492,0.4902063365632561
hexafluoropropene,2,11.898587945782213,12.750799820971846,12.32469388337703,12.32469388337703,0.8522118751896333
(perfluorobutyl)ethene,0,0.0,0.0,0.0,0.0,0.0
(perfluorohexyl)ethene,0,0.0,0.0,0.0,0.0,0.0
(perfluorooctyl)ethene,0,0.0,0.0,0.0,0.0,0.0
(perfluorodecyl)ethene,0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12-pentacosafluorooctacos-13-ene",0,0.0,0.0,0.0,0.0,0.0
fluorobenzene,9,6.437751649736401,6.812445099177812,6.540527644935607,6.502290170873972,0.3746934494414109
"1,2-difluorobenzene",2,6.571283042360924,6.725433722188183,6.648358382274553,6.648358382274553,0.15415067982725894
"1,3-difluorobenzene",1,8.947976107508692,8.947976107508692,8.947976107508692,8.947976107508692,0.0
"1,4-difluorobenzene",2,6.437751649736401,6.6453910145146455,6.541571332125523,6.541571332125523,0.2076393647782444
"1,2,3,5-tetrafluorobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-tetrafluorobenzene",0,0.0,0.0,0.0,0.0,0.0
pentafluorobenzene,1,7.195437351433918,7.195437351433918,7.195437351433918,7.195437351433918,0.0
hexafluorobenzene,1,7.505592279737757,7.505592279737757,7.505592279737757,7.505592279737757,0.0
(trifluoromethyl)-benzene,1,7.418580902748127,7.418580902748127,7.418580902748127,7.418580902748127,0.0
decafluorobiphenyl,1,5.005647752585217,5.005647752585217,5.005647752585217,5.005647752585217,0.0
carbonyl fluoride,3,1.0498221244986776,4.615220521841593,2.4248268529247903,1.6094379124341003,3.565398397342915
formyl fluoride,0,0.0,0.0,0.0,0.0,0.0
2-fluoroethanol,0,0.0,0.0,0.0,0.0,0.0
"2,2,2-trifluoroethanol",4,0.5447271754416722,0.7550225842780328,0.6542228155378197,0.658570751215787,0.21029540883636066
"1,1,1-trifluoro-2-propanol",1,0.7985076962177716,0.7985076962177716,0.7985076962177716,0.7985076962177716,0.0
"2,2,3,3-tetrafluoro-1-propanol",3,-0.4700036292457356,-0.3364722366212129,-0.3809827008293871,-0.3364722366212129,0.13353139262452268
"2,2,3,3,3-pentafluoro-1-propanol",3,0.7985076962177716,1.9661128563728327,1.5769111363211457,1.9661128563728327,1.1676051601550612
"1,1,1,3,3,3-hexafluoro-2-propanol",2,1.4271163556401458,1.469675970058942,1.4483961628495439,1.4483961628495439,0.04255961441879608
trifluoroacetylfluoride,3,3.506557897319982,4.656463480375642,3.889859758338536,3.506557897319982,1.1499055830556602
"1,1,1-trifluoro-2-propanone",2,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,0.0
fluoroethanoic acid,2,-6.684611727667927,-6.684611727667927,-6.684611727667927,-6.684611727667927,0.0
difluoroethanoic acid,2,-5.703782474656201,-5.703782474656201,-5.703782474656201,-5.703782474656201,0.0
trifluoroethanoic acid,3,-4.48863636973214,-4.04305126783455,-4.336341484014966,-4.477336814478207,0.4455851018975894
perfluorohexanoic acid,0,0.0,0.0,0.0,0.0,0.0
perfluoroheptanoic acid,0,0.0,0.0,0.0,0.0,0.0
pentadecafluorooctanoic acid,2,0.9162907318741551,3.0159349808715104,1.9661128563728327,1.9661128563728327,2.0996442489973552
perfluorononanoic acid,0,0.0,0.0,0.0,0.0,0.0
perfluorodecanoic acid,0,0.0,0.0,0.0,0.0,0.0
perfluoroundecanoic acid,0,0.0,0.0,0.0,0.0,0.0
perfluorododecanoic acid,0,0.0,0.0,0.0,0.0,0.0
perfluorotetradecanoic acid,0,0.0,0.0,0.0,0.0,0.0
"ethyl 2,2,2-trifluoroethyl ether",0,0.0,0.0,0.0,0.0,0.0
"(2,2,2-trifluoroethoxy)-ethene",6,7.505592279737757,8.047189562170502,7.781776483261269,7.798758867874826,0.5415972824327442
"2,2,2-trifluoroethyl methanoate",2,5.221356325411908,5.221356325411908,5.221356325411908,5.221356325411908,0.0
"2,2,2-trifluoroethyl ethanoate",2,5.1672891041416324,5.2030071867437115,5.185148145442672,5.185148145442672,0.03571808260207909
"trifluoroethanoic acid, methyl ester",2,6.725433722188183,6.812445099177812,6.768939410682997,6.768939410682997,0.08701137698962924
"trifluoroethanoic acid, ethyl ester",2,7.024289095238089,7.024289095238089,7.024289095238089,7.024289095238089,0.0
trifluoro(trifluoromethyl)-oxirane,1,11.640758836480114,11.640758836480114,11.640758836480114,11.640758836480114,0.0
heptafluorobutanoic acid,0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,4-pentafluorobutan-1-ol",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,4,5,5,5-decafluoropentane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane",0,0.0,0.0,0.0,0.0,0.0
"1-ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane",0,0.0,0.0,0.0,0.0,0.0
"1H,1H,2H,2H-perfluorohexan-1-ol",3,4.3428059215206005,9.704636693790963,6.35604274842044,5.0206856299497575,5.361830772270363
"1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane",0,0.0,0.0,0.0,0.0,0.0
"1H,1H,2H,2H-perfluorooctan-1-ol",3,6.502290170873972,9.372859301473957,8.184953864420647,8.679712120914012,2.8705691305999848
"methyl perfluoro(8-(fluoroformyl)-5-methyl-4,7-dioxanonanoate)",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,6,6,6-nonafluorohexyl methacrylate",0,0.0,0.0,0.0,0.0,0.0
"1H,1H,2H,2H-perfluorodecan-1-ol",2,8.517193191416238,8.679712120914012,8.598452656165126,8.598452656165126,0.16251892949777336
"3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl acrylate",0,0.0,0.0,0.0,0.0,0.0
2-(perfluorohexyl)ethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrahydroperfluoro dodecanol",1,8.947976107508692,8.947976107508692,8.947976107508692,8.947976107508692,0.0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl acrylate",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl methacrylate",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecan-1-ol",0,0.0,0.0,0.0,0.0,0.0
2-(perfluorodecyl)ethyl acrylate,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrahydroperfluoro-1-hexadecanol",0,0.0,0.0,0.0,0.0,0.0
2-(perfluorodecyl)ethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,6,6,7,7,8,8,9,9,\+10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl prop-2-enoate",0,0.0,0.0,0.0,0.0,0.0
2-perfluorododecylethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrahydroperfluoro-1-octadecanol",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrahydroperfluorohexadecyl acrylate",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrahydroperfluoroeicosyl alcohol",0,0.0,0.0,0.0,0.0,0.0
2-hydroxyfluorobenzene,1,-1.1314021114911006,-1.1314021114911006,-1.1314021114911006,-1.1314021114911006,0.0
4-hydroxyfluorobenzene,1,-2.639057329615259,-2.639057329615259,-2.639057329615259,-2.639057329615259,0.0
3-fluorophenol,0,0.0,0.0,0.0,0.0,0.0
"2,6-difluorophenol",0,0.0,0.0,0.0,0.0,0.0
"4,4'-(hexafluoroisopropylidene)diphenol",0,0.0,0.0,0.0,0.0,0.0
perfluorotributylamine,0,0.0,0.0,0.0,0.0,0.0
tris(undecafluoropentyl)amine,0,0.0,0.0,0.0,0.0,0.0
2-fluoroacetamide,0,0.0,0.0,0.0,0.0,0.0
5-fluorouracil,0,0.0,0.0,0.0,0.0,0.0
"1-fluoro-2,4-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
5-fluoro-2-nitrophenol,1,0.6931471805599453,0.6931471805599453,0.6931471805599453,0.6931471805599453,0.0
4-nitro-3-(trifluoromethyl)phenol,0,0.0,0.0,0.0,0.0,0.0
1-nitro-3-(trifluoromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
1-isocyanato-3-(trifluoromethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
flonicamid,0,0.0,0.0,0.0,0.0,0.0
trifluridine,0,0.0,0.0,0.0,0.0,0.0
"N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide",0,0.0,0.0,0.0,0.0,0.0
fluometuron,1,-8.242756345714477,-8.242756345714477,-8.242756345714477,-8.242756345714477,0.0
dinitramine,0,0.0,0.0,0.0,0.0,0.0
5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide,0,0.0,0.0,0.0,0.0,0.0
fluconazole,0,0.0,0.0,0.0,0.0,0.0
ethalfluralin,0,0.0,0.0,0.0,0.0,0.0
benfluralin,0,0.0,0.0,0.0,0.0,0.0
trifluralin,5,0.09431067947124121,2.3538783873815965,1.6448568406241328,1.7719568419318752,2.2595677079103553
fluorodifen,1,-6.476972362889683,-6.476972362889683,-6.476972362889683,-6.476972362889683,0.0
profluralin,1,3.3813947543659757,3.3813947543659757,3.3813947543659757,3.3813947543659757,0.0
flumequine,0,0.0,0.0,0.0,0.0,0.0
flunitrazepam,0,0.0,0.0,0.0,0.0,0.0
fluazifop-butyl,0,0.0,0.0,0.0,0.0,0.0
flumioxazin,0,0.0,0.0,0.0,0.0,0.0
fluridone,0,0.0,0.0,0.0,0.0,0.0
cyhalofop-butyl,1,-6.907755278982137,-6.907755278982137,-6.907755278982137,-6.907755278982137,0.0
raltegravir,0,0.0,0.0,0.0,0.0,0.0
fluacrypyrim,1,-5.703782474656201,-5.703782474656201,-5.703782474656201,-5.703782474656201,0.0
trifloxystrobin,1,-6.063785208687608,-6.063785208687608,-6.063785208687608,-6.063785208687608,0.0
etoxazole,0,0.0,0.0,0.0,0.0,0.0
droperidol,0,0.0,0.0,0.0,0.0,0.0
paliperidone,0,0.0,0.0,0.0,0.0,0.0
risperidone,0,0.0,0.0,0.0,0.0,0.0
ezetimibe,0,0.0,0.0,0.0,0.0,0.0
cerivastatin,0,0.0,0.0,0.0,0.0,0.0
"flucythrinate, isomer 1",0,0.0,0.0,0.0,0.0,0.0
PFBHA-methanal,1,4.135166556742356,4.135166556742356,4.135166556742356,4.135166556742356,0.0
PFBHA-ethanal,1,3.9633162998156966,3.9633162998156966,3.9633162998156966,3.9633162998156966,0.0
PFBHA-propanone,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
PFBHA-butanone,1,5.360192770266124,5.360192770266124,5.360192770266124,5.360192770266124,0.0
PFBHA-2-pentanone,1,5.599422459331958,5.599422459331958,5.599422459331958,5.599422459331958,0.0
PFBHA-hexanal,1,5.149897361429764,5.149897361429764,5.149897361429764,5.149897361429764,0.0
PFBHA-octanal,1,4.840892519509161,4.840892519509161,4.840892519509161,4.840892519509161,0.0
PFBHA-decanal,1,3.7297014486341915,3.7297014486341915,3.7297014486341915,3.7297014486341915,0.0
PFBHA-propenal,1,4.656463480375642,4.656463480375642,4.656463480375642,4.656463480375642,0.0
PFBHA-crotonaldehyde,1,4.990832666800076,4.990832666800076,4.990832666800076,4.990832666800076,0.0
PFBHA-benzaldehyde,1,5.298317366548036,5.298317366548036,5.298317366548036,5.298317366548036,0.0
PFBHA-4-methyl-benzaldehyde,1,5.0206856299497575,5.0206856299497575,5.0206856299497575,5.0206856299497575,0.0
PFBHA-9-fluorenone,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
PFBHA-ethanedial,1,4.135166556742356,4.135166556742356,4.135166556742356,4.135166556742356,0.0
PFBHA-1-hydroxypropanone,1,3.6119184129778077,3.6119184129778077,3.6119184129778077,3.6119184129778077,0.0
PFBHA-3-hydroxy-3-methyl-2-butanone,1,4.422848629194137,4.422848629194137,4.422848629194137,4.422848629194137,0.0
chloromethane,23,6.571283042360924,10.596634733096073,7.064931282462656,6.812445099177812,4.025351690735149
dichloromethane,45,5.1672891041416324,5.8781358618009785,5.586610675561022,5.599422459331958,0.710846757659346
dichloromethane-d2,1,5.572754212249797,5.572754212249797,5.572754212249797,5.572754212249797,0.0
trichloromethane,60,5.339139361068292,6.571283042360924,5.9812598373112165,5.991464547107982,1.2321436812926319
tetrachloromethane,49,6.812445099177812,9.24079957946089,7.965304486538434,7.986564940354067,2.4283544802830788
chloroethane,18,5.298317366548036,7.662777863260169,6.9886632190469316,7.076191437303413,2.364460496712133
"1,1-dichloroethane",29,6.032286541628237,6.907755278982137,6.360410291549527,6.319968614080018,0.8754687373538994
"1,2-dichloroethane",42,4.422848629194137,7.469874197135678,4.90810623162458,4.797560444445757,3.0470255679415414
"1,2-dichloroethane-d4",1,4.744432253321599,4.744432253321599,4.744432253321599,4.744432253321599,0.0
"1,1,1-trichloroethane",42,6.119297918617867,8.2170885989659,7.395975007408493,7.443935237744159,2.097790680348033
"1,1,2-trichloroethane",24,4.199705077879927,6.6453910145146455,4.578529389406657,4.509860006183766,2.4456859366347183
"1,1,2-trichloroethane-d3",1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
"1,1,1,2-tetrachloroethane",9,3.7297014486341915,6.165817934252759,5.376526678443324,5.472670753692815,2.4361164856185678
"1,1,2,2-tetrachloroethane",20,3.2441936328524905,4.268697949366879,3.6720929319663598,3.6692690975372955,1.0245043165143883
pentachloroethane,4,5.132802928070463,5.472670753692815,5.307626972345262,5.312517103808886,0.33986782562235174
hexachloroethane,11,5.683979847360021,7.728735831051967,6.656651796585325,6.725433722188183,2.044755983691946
1-chloropropane,5,7.002065958453379,7.751725349276666,7.293232106828086,7.264430222920869,0.7496593908232869
2-chloropropane,4,7.293417759794122,7.523941418405954,7.426746138308018,7.444812687515999,0.23052365861183244
"1,1-dichloropropane",0,0.0,0.0,0.0,0.0,0.0
"1,2-dichloropropane",25,5.132802928070463,7.070274208479912,5.656766895269841,5.654992310486769,1.937471280409449
"1,2-dichloropropane-d6",1,5.626821433520073,5.626821433520073,5.626821433520073,5.626821433520073,0.0
"1,3-dichloropropane",5,4.3428059215206005,4.615220521841593,4.5376554314751285,4.605170185988092,0.2724146003209924
"2,2-dichloropropane",3,7.1184763102977895,7.728735831051967,7.36581924309289,7.250245587928913,0.6102595207541777
"1,1,1-trichloropropane",1,5.572754212249797,5.572754212249797,5.572754212249797,5.572754212249797,0.0
"1,1,2-trichloropropane",1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
"1,2,3-trichloropropane",8,3.123565645063876,3.816712825623821,3.4340581116345907,3.460927101680819,0.6931471805599454
"1,1,2,2,3-pentachloropropane",0,0.0,0.0,0.0,0.0,0.0
1-chloro-2-methylpropane,2,4.7914997641795845,7.369790738578696,6.08064525137914,6.08064525137914,2.5782909743991116
2-chloro-2-methylpropane,1,9.656627474604601,9.656627474604601,9.656627474604601,9.656627474604601,0.0
1-chlorobutane,9,7.308232845579262,8.016417903503749,7.495826499087978,7.4524824544238095,0.7081850579244868
2-chlorobutane,5,7.542633551418106,7.824046010856292,7.724700924528851,7.728735831051967,0.2814124594381857
"1,1-dichlorobutane",0,0.0,0.0,0.0,0.0,0.0
"1,4-dichlorobutane",2,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
"2,3-dichlorobutane",1,5.991464547107982,5.991464547107982,5.991464547107982,5.991464547107982,0.0
1-chloropentane,7,7.706262975199909,8.517193191416238,7.937952243415507,7.77525584668686,0.8109302162163292
2-chloropentane,1,7.929406526514119,7.929406526514119,7.929406526514119,7.929406526514119,0.0
3-chloropentane,1,7.875339305243843,7.875339305243843,7.875339305243843,7.875339305243843,0.0
"1,2-dichloropentane",1,5.339139361068292,5.339139361068292,5.339139361068292,5.339139361068292,0.0
"1,5-dichloropentane",1,4.017383521085972,4.017383521085972,4.017383521085972,4.017383521085972,0.0
"2,3-dichloropentane",1,5.843044541989709,5.843044541989709,5.843044541989709,5.843044541989709,0.0
2-chloro-2-methylbutane,1,5.809142990314028,5.809142990314028,5.809142990314028,5.809142990314028,0.0
1-chlorohexane,3,7.799353398265921,8.078938260485081,7.900779223202432,7.824046010856292,0.2795848622191608
2-chlorohexane,1,7.600902459542082,7.600902459542082,7.600902459542082,7.600902459542082,0.0
3-chlorohexane,1,7.600902459542082,7.600902459542082,7.600902459542082,7.600902459542082,0.0
1-chloroheptane,1,8.294049640102028,8.294049640102028,8.294049640102028,8.294049640102028,0.0
2-chloroheptane,1,7.849363818840582,7.849363818840582,7.849363818840582,7.849363818840582,0.0
3-chloroheptane,1,7.929406526514119,7.929406526514119,7.929406526514119,7.929406526514119,0.0
4-chloroheptane,1,7.929406526514119,7.929406526514119,7.929406526514119,7.929406526514119,0.0
1-chlorooctane,1,8.254828926948747,8.254828926948747,8.254828926948747,8.254828926948747,0.0
2-chlorooctane,1,8.2170885989659,8.2170885989659,8.2170885989659,8.2170885989659,0.0
3-(chloromethyl)-heptane,0,0.0,0.0,0.0,0.0,0.0
"1,8-dichlorooctane",1,4.892852258439873,4.892852258439873,4.892852258439873,4.892852258439873,0.0
1-chlorononane,1,8.740336742730447,8.740336742730447,8.740336742730447,8.740336742730447,0.0
2-chlorononane,1,8.2170885989659,8.2170885989659,8.2170885989659,8.2170885989659,0.0
5-chlorononane,1,8.421883011611913,8.421883011611913,8.421883011611913,8.421883011611913,0.0
1-chlorodecane,1,8.740336742730447,8.740336742730447,8.740336742730447,8.740336742730447,0.0
"1,10-dichlorodecane",0,0.0,0.0,0.0,0.0,0.0
"1,2,9,10-tetrachlorodecane",1,2.882403588246988,2.882403588246988,2.882403588246988,2.882403588246988,0.0
pentachlorodecane isomers,2,0.9675840262617057,1.6094379124341003,1.2885109693479029,1.2885109693479029,0.6418538861723946
1-chloroundecane,1,8.679712120914012,8.679712120914012,8.679712120914012,8.679712120914012,0.0
"1,2,10,11-tetrachloroundecane",1,1.83258146374831,1.83258146374831,1.83258146374831,1.83258146374831,0.0
pentachloroundecane isomers,2,-0.40546510810816444,0.38566248081198456,-0.009901313648089938,-0.009901313648089938,0.791127588920149
1-chlorododecane,1,8.377431249041079,8.377431249041079,8.377431249041079,8.377431249041079,0.0
"1,12-dichlorododecane",0,0.0,0.0,0.0,0.0,0.0
1-chlorotridecane,1,8.145629634983754,8.145629634983754,8.145629634983754,8.145629634983754,0.0
1-chlorotetradecane,1,7.849363818840582,7.849363818840582,7.849363818840582,7.849363818840582,0.0
tetrachlorocyclopentane,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,3,3,4-hexachlorocyclopentane",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,3,3,4,5-heptachlorocyclopentane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,3,4,5-hexachlorocyclopentene",0,0.0,0.0,0.0,0.0,0.0
heptachlorocyclopentene,0,0.0,0.0,0.0,0.0,0.0
chlorocyclohexane,1,5.8781358618009785,5.8781358618009785,5.8781358618009785,5.8781358618009785,0.0
"$\alpha$-1,2,3,4,5,6-hexachlorocyclohexane",8,-1.0986122886681098,0.8675005677047231,-0.2678884018511115,-0.37096867236468867,1.966112856372833
"$\beta$-1,2,3,4,5,6-hexachlorocyclohexane",6,-4.02535169073515,0.40047756659712525,-2.7732991366133675,-3.295836866004329,4.425829257332275
"$\gamma$-1,2,3,4,5,6-hexachlorocyclohexane",15,-3.4339872044851463,-0.3364722366212129,-1.6387884630689256,-1.4586150226995167,3.0975149678639333
"$\delta$-1,2,3,4,5,6-hexachlorocyclohexane",1,-4.02535169073515,-4.02535169073515,-4.02535169073515,-4.02535169073515,0.0
"4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene",0,0.0,0.0,0.0,0.0,0.0
mirex,2,4.422848629194137,6.917805614835639,5.670327122014887,5.670327122014887,2.494956985641502
dechlorane plus,0,0.0,0.0,0.0,0.0,0.0
chloroethene,14,7.338538195074591,11.675444394468004,8.06486408563287,7.849363818840582,4.336906199393413
chloroethene-d3,1,7.875339305243843,7.875339305243843,7.875339305243843,7.875339305243843,0.0
"1,1-dichloroethene",24,6.119297918617867,9.625855815937848,7.919873199417363,7.888673428784923,3.506557897319982
"1,2-dichloroethene",0,0.0,0.0,0.0,0.0,0.0
"($Z$)-1,2-dichloroethene",23,5.744604469176457,6.812445099177812,6.1615701336199,6.074846156047033,1.0678406300013554
"($E$)-1,2-dichloroethene",29,6.2659013928097425,7.264430222920869,6.776745444721882,6.907755278982137,0.9985288301111268
trichloroethene,61,6.571283042360924,7.600902459542082,6.930657660683303,6.917805614835639,1.0296194171811583
tetrachloroethene,49,5.843044541989709,8.679712120914012,7.42362149540027,7.418580902748127,2.8366675789243025
dichloroethyne,0,0.0,0.0,0.0,0.0,0.0
1-chloro-1-propene,0,0.0,0.0,0.0,0.0,0.0
2-chloro-1-propene,0,0.0,0.0,0.0,0.0,0.0
3-chloro-1-propene,4,6.6453910145146455,7.002065958453379,6.818086792830912,6.812445099177812,0.35667494393873334
"1,1-dichloropropene",2,7.402051600796917,7.523941418405954,7.462996509601435,7.462996509601435,0.12188981760903683
"1,2-dichloropropene",0,0.0,0.0,0.0,0.0,0.0
"1,3-dichloropropene",6,4.8158912173037445,5.8781358618009785,5.441942242125492,5.5140166116153715,1.062244644497234
"{\it cis}-1,3-dichloropropene",5,4.656463480375642,5.472670753692815,5.139532886588971,5.2030071867437115,0.8162072733171728
"{\it trans}-1,3-dichloropropene",5,4.605170185988092,5.184988681241034,4.884598607133762,4.8158912173037445,0.5798184952529422
"2,3-dichloropropene",2,5.654992310486769,5.8781358618009785,5.766564086143873,5.766564086143873,0.2231435513142097
"1,2,3-trichloro-1-propene",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,3,3,3-hexachloro-1-propene",0,0.0,0.0,0.0,0.0,0.0
3-chloro-2-methyl-1-propene,0,0.0,0.0,0.0,0.0,0.0
($Z$)-1-chloro-2-butene,1,6.725433722188183,6.725433722188183,6.725433722188183,6.725433722188183,0.0
($E$)-1-chloro-2-butene,1,5.7763531674910364,5.7763531674910364,5.7763531674910364,5.7763531674910364,0.0
"1,3-dichloro-2-butene",0,0.0,0.0,0.0,0.0,0.0
"1,4-dichloro-2-butene",0,0.0,0.0,0.0,0.0,0.0
"($Z$)-1,4-dichloro-2-butene",1,3.506557897319982,3.506557897319982,3.506557897319982,3.506557897319982,0.0
"($E$)-1,4-dichloro-2-butene",1,3.3524072174927233,3.3524072174927233,3.3524072174927233,3.3524072174927233,0.0
"3,4-dichloro-1-butene",0,0.0,0.0,0.0,0.0,0.0
1-chloro-2-methylpropene,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-1,3-butadiene",0,0.0,0.0,0.0,0.0,0.0
hexachlorobutadiene,11,6.074846156047033,7.824046010856292,6.95009110776741,6.9485772735023925,1.7491998548092589
hexachlorocyclopentadiene,5,7.418580902748127,8.2170885989659,7.674967771907257,7.418580902748127,0.7985076962177722
chlordane,7,1.5606477482646683,2.302585092994046,1.867950768491317,1.7147984280919264,0.7419373447293776
{\it cis}-chlordane,5,1.7147984280919264,4.509860006183766,2.638114525486272,1.8971199848858813,2.7950615780918397
{\it trans}-chlordane,5,1.7719568419318752,4.9062752787720125,2.94427348250927,2.7646205525906042,3.1343184368401373
{\it cis}-nonachlor,1,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,-0.3364722366212129,0.0
{\it trans}-nonachlor,2,2.4304184645039304,3.473768074496991,2.9520932695004607,2.9520932695004607,1.0433496099930606
chlorobenzene,40,5.572754212249797,6.502290170873972,5.925212325267528,5.914503505971854,0.9295359586241752
chlorobenzene-d5,1,5.626821433520073,5.626821433520073,5.626821433520073,5.626821433520073,0.0
"1,2-dichlorobenzene",26,4.803621124711929,5.914503505971854,5.244489296930354,5.259096653394756,1.1108823812599242
"1,2-dichlorobenzene-d4",1,4.803621124711929,4.803621124711929,4.803621124711929,4.803621124711929,0.0
"1,3-dichlorobenzene",17,5.2030071867437115,6.165817934252759,5.651407671236932,5.599422459331958,0.9628107475090477
"1,4-dichlorobenzene",19,5.0206856299497575,6.074846156047033,5.4970212894144925,5.496768305271875,1.0541605260972755
"1,2,3-trichlorobenzene",9,4.199705077879927,5.626821433520073,4.709121551859538,4.8283137373023015,1.4271163556401456
"1,2,3-trichlorobenzene-d3",1,4.199705077879927,4.199705077879927,4.199705077879927,4.199705077879927,0.0
"1,2,4-trichlorobenzene",14,4.509860006183766,7.77525584668686,5.288707955221989,4.969039498652873,3.2653958405030936
"1,2,4-trichlorobenzene-d3",1,4.62537289330561,4.62537289330561,4.62537289330561,4.62537289330561,0.0
"1,3,5-trichlorobenzene",4,3.3524072174927233,6.319968614080018,5.047642284590563,5.259096653394756,2.967561396587295
"1,2,3,4-tetrachlorobenzene",4,2.8647040111475865,5.654992310486769,4.282800048130459,4.305751935443739,2.790288299339182
"1,2,3,5-tetrachlorobenzene",4,4.605170185988092,5.06720564558465,4.951696780685511,5.06720564558465,0.46203545959655834
"1,2,4,5-tetrachlorobenzene",3,4.017383521085972,5.0206856299497575,4.551096557625774,4.615220521841593,1.0033021088637852
pentachlorobenzene,7,1.6094379124341003,5.184988681241034,3.91082518406609,4.268697949366879,3.5755507688069335
hexachlorobenzene,19,-0.9555114450274365,10.637456727616328,4.701666322622492,4.268697949366879,11.592968172643765
(chloromethyl)-benzene,4,3.575550768806933,4.605170185988092,4.128898147354327,4.167435817311142,1.0296194171811588
1-chloro-2-methylbenzene,6,3.9633162998156966,6.032286541628237,5.562435816003887,5.8781358618009785,2.068970241812541
1-chloro-3-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-methylbenzene,2,5.496768305271875,5.843044541989709,5.669906423630792,5.669906423630792,0.34627623671783425
(dichloromethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
"1,2-dichloro-4-methylbenzene",0,0.0,0.0,0.0,0.0,0.0
"1,3-dichloro-2-methylbenzene",0,0.0,0.0,0.0,0.0,0.0
"1-methyl-2,4-dichlorobenzene",1,5.914503505971854,5.914503505971854,5.914503505971854,5.914503505971854,0.0
"1-methyl-2,4,5-trichlorobenzene",1,5.0206856299497575,5.0206856299497575,5.0206856299497575,5.0206856299497575,0.0
"1-methyl-2,3,6-trichlorobenzene",1,5.0206856299497575,5.0206856299497575,5.0206856299497575,5.0206856299497575,0.0
pentachloromethylbenzene,1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
1-chloro-2-(chloromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-(chloromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
chloro(dichloromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
(trichloromethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-(trichloromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-3-ethenylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-ethenylbenzene,0,0.0,0.0,0.0,0.0,0.0
"1,4-dichloro-2,5-dimethylbenzene",0,0.0,0.0,0.0,0.0,0.0
"1,4-bis(trichloromethyl)benzene",0,0.0,0.0,0.0,0.0,0.0
"$\alpha$,$\alpha$-dichloro-$o$-xylene",1,2.302585092994046,2.302585092994046,2.302585092994046,2.302585092994046,0.0
2-chlorostyrene,0,0.0,0.0,0.0,0.0,0.0
octachlorostyrene,1,2.577021938695806,2.577021938695806,2.577021938695806,2.577021938695806,0.0
1-chloronaphthalene,3,3.0576076772720784,5.8781358618009785,4.170431435959997,3.575550768806933,2.8205281845289
2-chloronaphthalene,4,3.473768074496991,4.135166556742356,3.64731515076408,3.490162985908486,0.6613984822453651
"1,2,3-trichloronaphthalene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrachloronaphthalene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5-pentachloronaphthalene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5,6-hexachloronaphthalene",0,0.0,0.0,0.0,0.0,0.0
octachloronaphthalene,0,0.0,0.0,0.0,0.0,0.0
heptachlor,10,3.3813947543659757,5.8781358618009785,4.578578999057778,5.005647752585217,2.4967411074350028
"1,3-dichloronaphthalene",0,0.0,0.0,0.0,0.0,0.0
1-chloro-2-methyl-2-phenylpropane,0,0.0,0.0,0.0,0.0,0.0
"1,3-dichloro-5-[(2$S$)-2,4,4,4-tetrachlorobutan-2-yl]benzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,5,6,7,8,8-nonachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1H-indene",0,0.0,0.0,0.0,0.0,0.0
"1,1-dichloro-2,2-bis-(4-chlorophenyl)-ethane",5,-0.6931471805599453,7.1184763102977895,1.1417419185985511,-0.40546510810816444,7.811623490857735
mitotane,1,-6.327936783729195,-6.327936783729195,-6.327936783729195,-6.327936783729195,0.0
"1,1-dichloro-2,2-bis-(4-chlorophenyl)-ethene",8,0.7985076962177716,4.8158912173037445,2.0084120736754625,1.4271163556401458,4.017383521085973
"o,p'-DDE",1,1.9661128563728327,1.9661128563728327,1.9661128563728327,1.9661128563728327,0.0
"1,1,1-trichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1-trichloro-2,2-bis-(4-chlorophenyl)-ethane",10,-0.1823215567939546,1.7719568419318752,0.6505795162147321,0.18336263989611692,1.9542783987258299
aldrin,15,0.17435338714477774,3.912023005428146,2.442377265892589,3.146555163288575,3.7376696182833684
isodrin,0,0.0,0.0,0.0,0.0,0.0
"1,1'-(2,2-dichloroethylidene)bis[4-ethylbenzene",0,0.0,0.0,0.0,0.0,0.0
2-chlorobiphenyl,4,3.0159349808715104,3.7722610630529876,3.4503279596411156,3.506557897319982,0.7563260821814772
3-chlorobiphenyl,0,0.0,0.0,0.0,0.0,0.0
4-chlorobiphenyl,6,2.882403588246988,3.575550768806933,3.3075238374611833,3.338321779009375,0.693147180559945
"2,2'-dichlorobiphenyl",6,3.079113882493042,3.540459448995663,3.3152081853466733,3.3150617711919286,0.46134556650262093
"2,3-dichlorobiphenyl",1,3.146555163288575,3.146555163288575,3.146555163288575,3.146555163288575,0.0
"2,3'-dichlorobiphenyl",3,3.146555163288575,3.4420193761824107,3.277589390774492,3.2441936328524905,0.29546421289383584
"2,4-dichlorobiphenyl",3,3.2968373663379125,3.6119184129778077,3.4947688493742177,3.575550768806933,0.3150810466398952
"2,4'-dichlorobiphenyl",8,3.123565645063876,4.605170185988092,3.6194280120622477,3.5010329792266894,1.481604540924216
"2,5-dichlorobiphenyl",3,3.6888794541139363,3.7722610630529876,3.7166733237602867,3.6888794541139363,0.08338160893905133
"2,6-dichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3'-dichlorobiphenyl",2,3.1700856606987684,3.1700856606987684,3.1700856606987684,3.1700856606987684,0.0
"3,4-dichlorobiphenyl",3,2.659260036932778,3.036554268074246,2.9107895243604234,3.036554268074246,0.3772942311414682
"3,4'-dichlorobiphenyl",1,3.0159349808715104,3.0159349808715104,3.0159349808715104,3.0159349808715104,0.0
"3,5-dichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"4,4'-dichlorobiphenyl",10,2.302585092994046,3.4112477175156566,2.940245934236469,2.995732273553991,1.1086626245216107
"2,2',3-trichlorobiphenyl",3,3.1700856606987684,4.422848629194137,3.5957058340569112,3.1941832122778293,1.2527629684953685
"2,2',4-trichlorobiphenyl",2,3.4112477175156566,3.506557897319982,3.458902807417819,3.458902807417819,0.09531017980432521
"2,2',5-trichlorobiphenyl",6,3.0159349808715104,4.615220521841593,3.530074871149066,3.3277206751840733,1.5992855409700826
"2,2',6-trichlorobiphenyl",3,3.146555163288575,3.4112477175156566,3.3230168661066295,3.4112477175156566,0.2646925542270817
"2,3,3'-trichlorobiphenyl",1,4.422848629194137,4.422848629194137,4.422848629194137,4.422848629194137,0.0
"2,3,4-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,4'-trichlorobiphenyl",2,2.995732273553991,3.3813947543659757,3.1885635139599833,3.1885635139599833,0.38566248081198484
"2,3,5-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trichlorobiphenyl",3,3.101092789211817,3.473768074496991,3.328702860408155,3.4112477175156566,0.3726752852851738
"2,3',4-trichlorobiphenyl",2,3.4112477175156566,3.7297014486341915,3.5704745830749243,3.5704745830749243,0.3184537311185349
"2,3',5-trichlorobiphenyl",4,3.3524072174927233,3.540459448995663,3.4764956152820874,3.506557897319982,0.18805223150293982
"2,3',6-trichlorobiphenyl",1,3.3524072174927233,3.3524072174927233,3.3524072174927233,3.3524072174927233,0.0
"2,4,4'-trichlorobiphenyl",10,3.0159349808715104,4.268697949366879,3.5736583651534573,3.490162985908486,1.2527629684953685
"2,4,5-trichlorobiphenyl",4,3.0159349808715104,3.649658740960655,3.387652378461203,3.442507896006324,0.6337237600891448
"2,4,6-trichlorobiphenyl",2,4.199705077879927,4.199705077879927,4.199705077879927,4.199705077879927,0.0
"2,4',5-trichlorobiphenyl",6,2.9565115604007097,4.509860006183766,3.5494969248769728,3.460927101680819,1.5533484457830564
"2,4',6-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4'-trichlorobiphenyl",3,3.123565645063876,3.6888794541139363,3.378893813234613,3.324236340526027,0.5653138090500605
"2,3',5'-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',4-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',5-trichlorobiphenyl",1,2.8473122684357177,2.8473122684357177,2.8473122684357177,2.8473122684357177,0.0
"3,4,4'-trichlorobiphenyl",3,2.312635428847547,4.422848629194137,3.1562840223760613,2.7333680090865,2.11021320034659
"3,4,5-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,4',5-trichlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3'-tetrachlorobiphenyl",6,2.312635428847547,3.324236340526027,2.8277765296072173,2.906408197840168,1.0116009116784799
"2,2',3,4-tetrachlorobiphenyl",1,3.0159349808715104,3.0159349808715104,3.0159349808715104,3.0159349808715104,0.0
"2,2',3,4'-tetrachlorobiphenyl",2,2.995732273553991,3.575550768806933,3.285641521180462,3.285641521180462,0.5798184952529422
"2,2',3,5-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,5'-tetrachlorobiphenyl",3,2.9565115604007097,4.3428059215206005,3.541184607482446,3.324236340526027,1.3862943611198908
"2,2',3,6-tetrachlorobiphenyl",1,3.6888794541139363,3.6888794541139363,3.6888794541139363,3.6888794541139363,0.0
"2,2',3,6'-tetrachlorobiphenyl",2,3.270169119255751,3.506557897319982,3.3883635082878665,3.3883635082878665,0.23638877806423064
"2,2',4,4'-tetrachlorobiphenyl",4,1.5606477482646683,4.699480865459333,2.7328596505541594,2.335654994246318,3.1388331171946646
"2,2',4,5-tetrachlorobiphenyl",2,3.2441936328524905,3.6119184129778077,3.428056022915149,3.428056022915149,0.3677247801253172
"2,2',4,5'-tetrachlorobiphenyl",2,3.324236340526027,3.6119184129778077,3.4680773767519173,3.4680773767519173,0.2876820724517808
"2,2',4,6-tetrachlorobiphenyl",2,4.135166556742356,4.3428059215206005,4.238986239131478,4.238986239131478,0.2076393647782444
"2,2',4,6'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',5,5'-tetrachlorobiphenyl",11,2.501036031717884,4.509860006183766,3.3414082115945614,3.270169119255751,2.0088239744658822
"2,2',5,6'-tetrachlorobiphenyl",3,3.3524072174927233,3.7297014486341915,3.6039367049203688,3.7297014486341915,0.3772942311414682
"2,2',6,6'-tetrachlorobiphenyl",4,2.703062659591171,4.017383521085972,3.438441170658657,3.5166592509787415,1.3143208614948012
"2,3,3',4-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4'-tetrachlorobiphenyl",2,2.796881414808826,3.270169119255751,3.0335252670322888,3.0335252670322888,0.47328770444692525
"2,3,3',5-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',5'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4'-tetrachlorobiphenyl",2,2.796881414808826,4.422848629194137,3.6098650220014816,3.6098650220014816,1.625967214385311
"2,3,4,5-tetrachlorobiphenyl",2,2.995732273553991,3.0159349808715104,3.0058336272127506,3.0058336272127506,0.020202707317519497
"2,3,4,6-tetrachlorobiphenyl",1,3.0576076772720784,3.0576076772720784,3.0576076772720784,3.0576076772720784,0.0
"2,3,4',5-tetrachlorobiphenyl",2,3.3813947543659757,3.6888794541139363,3.535137104239956,3.535137104239956,0.30748469974796055
"2,3,4',6-tetrachlorobiphenyl",2,2.8473122684357177,3.6888794541139363,3.268095861274827,3.268095861274827,0.8415671856782185
"2,3,5,6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4'-tetrachlorobiphenyl",2,3.0159349808715104,3.6119184129778077,3.313926696924659,3.313926696924659,0.5959834321062973
"2,3',4,5-tetrachlorobiphenyl",1,2.312635428847547,2.312635428847547,2.312635428847547,2.312635428847547,0.0
"2,3',4,5'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4',5-tetrachlorobiphenyl",3,2.312635428847547,3.4112477175156566,2.8934649022546375,2.9565115604007097,1.0986122886681096
"2,3',4',6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',5,5'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',5',6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,4,4',5-tetrachlorobiphenyl",3,2.312635428847547,3.649658740960655,3.00663394902676,3.0576076772720784,1.337023312113108
"2,4,4',6-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4',5'-tetrachlorobiphenyl",1,2.563949857128453,2.563949857128453,2.563949857128453,2.563949857128453,0.0
"3,3',4,4'-tetrachlorobiphenyl",7,2.302585092994046,4.017383521085972,2.973471128138436,2.7806208939370456,1.7147984280919264
"3,3',4,5-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,5'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',5,5'-tetrachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,4,4',5-tetrachlorobiphenyl",2,2.4304184645039304,3.1941832122778293,2.81230083839088,2.81230083839088,0.7637647477738989
"2,2',3,3',4-pentachlorobiphenyl",2,2.4769384801388235,3.6119184129778077,3.0444284465583156,3.0444284465583156,1.1349799328389842
"2,2',3,3',5-pentachlorobiphenyl",2,2.8134107167600364,3.7722610630529876,3.292835889906512,3.292835889906512,0.9588503462929512
"2,2',3,3',6-pentachlorobiphenyl",1,2.8647040111475865,2.8647040111475865,2.8647040111475865,2.8647040111475865,0.0
"2,2',3,4,4'-pentachlorobiphenyl",3,1.8971199848858813,3.7722610630529876,2.827597254899635,2.8134107167600364,1.8751410781671063
"2,2',3,4,5-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5'-pentachlorobiphenyl",2,2.5510464522925456,3.6119184129778077,3.081482432635177,3.081482432635177,1.0608719606852621
"2,2',3,4,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,6'-pentachlorobiphenyl",1,3.816712825623821,3.816712825623821,3.816712825623821,3.816712825623821,0.0
"2,2',3,4',5-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',6-pentachlorobiphenyl",2,3.324236340526027,3.9633162998156966,3.6437763201708617,3.6437763201708617,0.6390799592896697
"2,2',3,5,5'-pentachlorobiphenyl",1,3.816712825623821,3.816712825623821,3.816712825623821,3.816712825623821,0.0
"2,2',3,5,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,5,6'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,5',6-pentachlorobiphenyl",2,2.995732273553991,3.863232841258714,3.4294825574063523,3.4294825574063523,0.867500567704723
"2,2',3,6,6'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5'-pentachlorobiphenyl",3,2.0402208285265546,3.7722610630529876,2.843527476178418,2.7181005369557116,1.732040234526433
"2,2',3,4',6'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5-pentachlorobiphenyl",6,2.0402208285265546,5.472670753692815,3.8341591148488203,3.8399728334412675,3.43244992516626
"2,2',4,4',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,5,5'-pentachlorobiphenyl",7,1.9661128563728327,3.7297014486341915,3.1029751789888436,3.2441936328524905,1.7635885922613588
"2,2',4,5,6'-pentachlorobiphenyl",1,2.2072749131897207,2.2072749131897207,2.2072749131897207,2.2072749131897207,0.0
"2,2',4,5',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,6,6'-pentachlorobiphenyl",3,4.199705077879927,4.509860006183766,4.406475030082487,4.509860006183766,0.31015492830383895
"2,3,3',4,4'-pentachlorobiphenyl",4,1.7147984280919264,3.506557897319982,2.8397508456744927,3.0688235286430317,1.7917594692280554
"2,3,3',4,5-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5-pentachlorobiphenyl",2,1.7719568419318752,3.146555163288575,2.459256002610225,2.459256002610225,1.3745983213566997
"2,3,3',4,5'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',6-pentachlorobiphenyl",2,2.375155785828881,3.7722610630529876,3.0737084244409343,3.0737084244409343,1.3971052772241066
"2,3,3',5,5'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',5,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',5',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4',5-pentachlorobiphenyl",2,1.9661128563728327,2.9374633654300153,2.451788110901424,2.451788110901424,0.9713505090571826
"2,3,4,4',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,4',5,6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',5-pentachlorobiphenyl",8,2.120263536200091,5.184988681241034,3.5525209216934064,3.524659421651962,3.064725145040943
"2,3',4,4',6-pentachlorobiphenyl",1,4.199705077879927,4.199705077879927,4.199705077879927,4.199705077879927,0.0
"2,3',4,5,5'-pentachlorobiphenyl",1,1.7147984280919264,1.7147984280919264,1.7147984280919264,1.7147984280919264,0.0
"2,3',4,5',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5'-pentachlorobiphenyl",1,1.83258146374831,1.83258146374831,1.83258146374831,1.83258146374831,0.0
"2,3',4,4',5'-pentachlorobiphenyl",1,3.079113882493042,3.079113882493042,3.079113882493042,3.079113882493042,0.0
"2,3',4',5,5'-pentachlorobiphenyl",1,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
"2,3',4',5',6-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,4',5-pentachlorobiphenyl",2,2.302585092994046,3.036554268074246,2.669569680534146,2.669569680534146,0.7339691750802002
"3,3',4,5,5'-pentachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4'-hexachlorobiphenyl",6,0.27443684570176036,3.912023005428146,1.9585487851519894,1.4403097332267432,3.6375861597263857
"2,2',3,3',4,5-hexachlorobiphenyl",1,1.0788096613719298,1.0788096613719298,1.0788096613719298,1.0788096613719298,0.0
"2,2',3,3',4,5'-hexachlorobiphenyl",2,1.3093333199837622,2.385966701933097,1.8476500109584295,1.8476500109584295,1.0766333819493346
"2,2',3,3',4,6-hexachlorobiphenyl",1,1.8971199848858813,1.8971199848858813,1.8971199848858813,1.8971199848858813,0.0
"2,2',3,3',4,6'-hexachlorobiphenyl",2,1.5141277326297755,3.2188758248682006,2.366501778748988,2.366501778748988,1.704748092238425
"2,2',3,3',5,5'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',5,6-hexachlorobiphenyl",3,1.6094379124341003,4.422848629194137,2.7782905448740944,2.302585092994046,2.8134107167600364
"2,2',3,3',5,6'-hexachlorobiphenyl",3,1.7147984280919264,4.199705077879927,2.8579211809682104,2.659260036932778,2.484906649788001
"2,2',3,3',6,6'-hexachlorobiphenyl",3,2.2072749131897207,4.710530701645918,3.347123753299838,3.123565645063876,2.503255788456197
"2,2',3,4,4',5-hexachlorobiphenyl",2,1.8971199848858813,3.101092789211817,2.4991063870488492,2.4991063870488492,1.203972804325936
"2,2',3,4,4',5'-hexachlorobiphenyl",5,0.7550225842780328,3.816712825623821,2.7424166820116,3.4112477175156566,3.0616902413457883
"2,2',3,4,4',6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5,5'-hexachlorobiphenyl",3,0.843970070294529,3.912023005428146,2.3528593895722403,2.302585092994046,3.068052935133617
"2,2',3,4,5,6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5,6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5',6-hexachlorobiphenyl",1,2.659260036932778,2.659260036932778,2.659260036932778,2.659260036932778,0.0
"2,2',3,4,6,6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5,5'-hexachlorobiphenyl",3,0.9416085398584448,4.074541934925921,2.4078084626580285,2.2072749131897207,3.132933395067476
"2,2',3,4',5,6-hexachlorobiphenyl",1,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
"2,2',3,4',5,6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5',6-hexachlorobiphenyl",2,2.703062659591171,4.199705077879927,3.451383868735549,3.451383868735549,1.496642418288756
"2,2',3,4',6,6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,5,5',6-hexachlorobiphenyl",3,1.7719568419318752,4.268697949366879,2.935091781296453,2.7646205525906042,2.4967411074350037
"2,2',3,5,6,6'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5,5'-hexachlorobiphenyl",10,0.843970070294529,3.9633162998156966,2.6419072141985436,2.5902671654458267,3.1193462295211676
"2,2',4,4',5,6'-hexachlorobiphenyl",1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
"2,2',4,4',6,6'-hexachlorobiphenyl",5,2.4534079827286295,4.509860006183766,3.9983371506948386,4.3428059215206005,2.0564520234551367
"2,3,3',4,4',5-hexachlorobiphenyl",2,2.6882475738060303,3.540459448995663,3.1143535114008465,3.1143535114008465,0.8522118751896328
"2,3,3',4,4',5'-hexachlorobiphenyl",2,2.8134107167600364,3.3813947543659757,3.097402735563006,3.097402735563006,0.5679840376059393
"2,3,3',4,4',6-hexachlorobiphenyl",2,1.469675970058942,3.863232841258714,2.6664544056588277,2.6664544056588277,2.393556871199772
"2,3,3',4,5,5'-hexachlorobiphenyl",1,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.0
"2,3,3',4,5,6-hexachlorobiphenyl",1,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.7133498878774646,0.0
"2,3,3',4,5',6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5,5'-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5,6-hexachlorobiphenyl",2,0.4155154439616658,3.863232841258714,2.13937414261019,2.13937414261019,3.447717397297048
"2,3,3',4',5',6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',5,5',6-hexachlorobiphenyl",1,1.0788096613719298,1.0788096613719298,1.0788096613719298,1.0788096613719298,0.0
"2,3,4,4',5,6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',5,5'-hexachlorobiphenyl",2,2.5510464522925456,3.6119184129778077,3.081482432635177,3.081482432635177,1.0608719606852621
"2,3',4,4',5',6-hexachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,4',5,5'-hexachlorobiphenyl",2,2.513306124309698,3.0576076772720784,2.785456900790888,2.785456900790888,0.5443015529623803
"2,2',3,3',4,4',5-heptachlorobiphenyl",3,-0.0953101798043249,3.036554268074246,1.1189198440771957,0.4155154439616658,3.131864447878571
"2,2',3,3',4,4',6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5,5'-heptachlorobiphenyl",1,0.27443684570176036,0.27443684570176036,0.27443684570176036,0.27443684570176036,0.0
"2,2',3,3',4,5,6-heptachlorobiphenyl",1,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.0
"2,2',3,3',4,5,6'-heptachlorobiphenyl",3,0.3566749439387322,3.816712825623821,1.9276085606655513,1.6094379124341003,3.460037881685089
"2,2',3,3',4,5',6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,6,6'-heptachlorobiphenyl",1,2.2072749131897207,2.2072749131897207,2.2072749131897207,2.2072749131897207,0.0
"2,2',3,3',4,5',6'-heptachlorobiphenyl",2,1.203972804325936,3.863232841258714,2.533602822792325,2.533602822792325,2.659260036932778
"2,2',3,3',5,5',6-heptachlorobiphenyl",3,0.843970070294529,4.199705077879927,2.313598377686779,1.8971199848858813,3.355735007585398
"2,2',3,3',5,6,6'-heptachlorobiphenyl",1,0.8915981192837835,0.8915981192837835,0.8915981192837835,0.8915981192837835,0.0
"2,2',3,4,4',5,5'-heptachlorobiphenyl",5,0.010050335853501286,3.6119184129778077,1.737074421693244,1.7719568419318752,3.6018680771243066
"2,2',3,4,4',5,6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,6'-heptachlorobiphenyl",1,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
"2,2',3,4,4',5',6-heptachlorobiphenyl",2,1.8971199848858813,4.074541934925921,2.985830959905901,2.985830959905901,2.1774219500400394
"2,2',3,4,4',6,6'-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5,5',6-heptachlorobiphenyl",1,0.47803580094299963,0.47803580094299963,0.47803580094299963,0.47803580094299963,0.0
"2,2',3,4,5,6,6'-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5,5',6-heptachlorobiphenyl",2,2.120263536200091,4.135166556742356,3.1277150464712236,3.1277150464712236,2.014903020542265
"2,2',3,4',5,6,6'-heptachlorobiphenyl",1,4.733003557497976,4.733003557497976,4.733003557497976,4.733003557497976,0.0
"2,3,3',4,4',5,5'-heptachlorobiphenyl",1,2.4769384801388235,2.4769384801388235,2.4769384801388235,2.4769384801388235,0.0
"2,3,3',4,4',5,6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5',6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,5,5',6-heptachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5,5',6-heptachlorobiphenyl",1,3.4420193761824107,3.4420193761824107,3.4420193761824107,3.4420193761824107,0.0
"2,2',3,3',4,4',5,5'-octachlorobiphenyl",4,0.010050335853501286,2.302585092994046,1.4198578459480926,1.6833979774724117,2.2925347571405448
"2,2',3,3',4,4',5,6-octachlorobiphenyl",2,0.10536051565782635,2.645075401940822,1.375217958799324,1.375217958799324,2.5397148862829955
"2,2',3,3',4,4',5,6'-octachlorobiphenyl",1,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.0
"2,2',3,3',4,4',6,6'-octachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5,5',6-octachlorobiphenyl",1,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.3566749439387322,0.0
"2,2',3,3',4,5,5',6'-octachlorobiphenyl",1,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.010050335853501286,0.0
"2,2',3,3',4,5,6,6'-octachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5',6,6'-octachlorobiphenyl",2,0.5447271754416722,4.605170185988092,2.574948680714882,2.574948680714882,4.06044301054642
"2,2',3,3',5,5',6,6'-octachlorobiphenyl",1,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.0
"2,2',3,4,4',5,5',6-octachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,6,6'-octachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5,5',6-octachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,5',6-nonachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,6,6'-nonachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5,5',6,6'-nonachlorobiphenyl",0,0.0,0.0,0.0,0.0,0.0
decachlorobiphenyl,0,0.0,0.0,0.0,0.0,0.0
phosgene,3,7.250245587928913,7.435388021064509,7.326350456262515,7.293417759794122,0.18514243313559575
dichloroacetaldehyde,0,0.0,0.0,0.0,0.0,0.0
chloroacetyl chloride,0,0.0,0.0,0.0,0.0,0.0
chloral hydrate,0,0.0,0.0,0.0,0.0,0.0
chloroacetaldehyde,0,0.0,0.0,0.0,0.0,0.0
2-chloroethanol,0,0.0,0.0,0.0,0.0,0.0
2-chloroethanol-d4,1,-1.6094379124341003,-1.6094379124341003,-1.6094379124341003,-1.6094379124341003,0.0
"1,1,1-trichloro-2-propanone",0,0.0,0.0,0.0,0.0,0.0
"1,1-dichloro-2-propanone",0,0.0,0.0,0.0,0.0,0.0
"carbonochloridic acid, 2-chloroethyl ester",0,0.0,0.0,0.0,0.0,0.0
"carbonochloridic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
2-chloropropanoic acid,0,0.0,0.0,0.0,0.0,0.0
"2,3-dichloro-1-propanol",0,0.0,0.0,0.0,0.0,0.0
"1,3-dichloro-2-propanol",0,0.0,0.0,0.0,0.0,0.0
"3-chloro-1,2-propanediol",0,0.0,0.0,0.0,0.0,0.0
1-chloro-2-propanol,0,0.0,0.0,0.0,0.0,0.0
2-chloro-1-propanol,0,0.0,0.0,0.0,0.0,0.0
trichloroethanal,1,-8.131530710604252,-8.131530710604252,-8.131530710604252,-8.131530710604252,0.0
chloro-2-propanone,2,0.5447271754416722,0.5447271754416722,0.5447271754416722,0.5447271754416722,0.0
chloroethanoic acid,2,-7.003065458786462,-7.003065458786462,-7.003065458786462,-7.003065458786462,0.0
dichloroethanoic acid,2,-7.090076835776092,-7.090076835776092,-7.090076835776092,-7.090076835776092,0.0
trichloroethanoic acid,2,-6.593044534142437,-6.593044534142437,-6.593044534142437,-6.593044534142437,0.0
"2,2-dichloro-propanoic acid",0,0.0,0.0,0.0,0.0,0.0
trichloroacetylchloride,3,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
hexachloroacetone,0,0.0,0.0,0.0,0.0,0.0
(chloromethyl)-oxirane,2,1.2729656758128876,1.2729656758128876,1.2729656758128876,1.2729656758128876,0.0
methyl chloroethanoate,0,0.0,0.0,0.0,0.0,0.0
ethyl chloroethanoate,0,0.0,0.0,0.0,0.0,0.0
chloroacetic acid anhydride,0,0.0,0.0,0.0,0.0,0.0
"carbonochloridic acid, 1-methylethyl ester",0,0.0,0.0,0.0,0.0,0.0
chlorobutanol,0,0.0,0.0,0.0,0.0,0.0
3-chloro-4-(dichloromethyl)-2-(5H)-furanone,0,0.0,0.0,0.0,0.0,0.0
3-chloro-4-(dichloromethyl)-5-hydroxy-2-(5H)-furanone,0,0.0,0.0,0.0,0.0,0.0
"1,2,4-trichloro-2-methyl-3-pentanone",0,0.0,0.0,0.0,0.0,0.0
bis(2-chloroisopropyl) ether,0,0.0,0.0,0.0,0.0,0.0
"butyl 2,2,3,4,4-pentachloro-3-butenoate",0,0.0,0.0,0.0,0.0,0.0
"3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carbonyl chloride",0,0.0,0.0,0.0,0.0,0.0
"3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acid",0,0.0,0.0,0.0,0.0,0.0
"hexanoic acid, 3,3-dimethyl-4,6,6,6-tetrachloro, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate",0,0.0,0.0,0.0,0.0,0.0
oxychlordane,0,0.0,0.0,0.0,0.0,0.0
kepone,0,0.0,0.0,0.0,0.0,0.0
(2-chloroethoxy)-ethene,3,3.2188758248682006,6.812445099177812,4.501696332847668,3.473768074496991,3.5935692743096115
bis-(2-chloroethoxy)-methane,3,-3.6109179126442243,-2.174751721484161,-3.014588724049956,-3.258096538021482,1.4361661911600634
bis-(chloromethyl) ether,1,5.360192770266124,5.360192770266124,5.360192770266124,5.360192770266124,0.0
"1,5-dichloro-3-oxapentane",4,-2.151762203259462,0.9942522733438668,0.09351036096535859,0.7657756868885146,3.1460144766033284
bis-(2-chloroisopropyl) ether,4,0.8675005677047231,4.755993075722675,2.776433462034091,2.7411201023544827,3.8884925080179524
"1,2-bis(2-chloroethoxy)ethane",0,0.0,0.0,0.0,0.0,0.0
2-hydroxychlorobenzene,9,-2.890371757896165,0.1278333715098848,-0.6030760474182123,-0.1823215567939546,3.01820512940605
3-hydroxychlorobenzene,4,-3.5263605246161616,-2.890371757896165,-3.287830985621319,-3.367295829986474,0.6359887667199966
4-hydroxychlorobenzene,4,-7.24422751560335,-2.3978952727983707,-4.148234389211076,-3.475407384221292,4.846332242804979
"2,3-dichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichlorophenol",5,-1.8870696490323797,-0.40546510810816444,-0.9019123923545888,-0.587786664902119,1.4816045409242153
"2,5-dichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"3,4-dichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,5-trichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,4,5-trichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichlorophenol",4,-2.772588722239781,-0.3364722366212129,-1.1694192191937098,-0.7843079589569226,2.436116485618568
"3,4,5-trichlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6-tetrachlorophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,5,6-tetrachlorophenol",0,0.0,0.0,0.0,0.0,0.0
hydroxypentachlorobenzene,4,-6.016157159698353,2.2072749131897207,-1.6450550467116902,-1.3856689701690643,8.223432072888073
"3,4,5-trichloro-1,2-benzenediol",0,0.0,0.0,0.0,0.0,0.0
"4,5-dichloro-1,2-benzenediol",0,0.0,0.0,0.0,0.0,0.0
"3,4,5,6-tetrachloro-1,2-benzenediol",0,0.0,0.0,0.0,0.0,0.0
"2,3,5,6-tetrachloro-$p$-benzoquinone",0,0.0,0.0,0.0,0.0,0.0
2-chloro-5-methylphenol,0,0.0,0.0,0.0,0.0,0.0
4-chloro-2-methylphenol,0,0.0,0.0,0.0,0.0,0.0
4-chloro-3-methylphenol,2,-3.6635616461296463,-1.3862943611198906,-2.5249280036247685,-2.5249280036247685,2.2772672850097555
1-chloro-2-methoxybenzene,1,2.302585092994046,2.302585092994046,2.302585092994046,2.302585092994046,0.0
1-chloro-3-methoxybenzene,1,3.101092789211817,3.101092789211817,3.101092789211817,3.101092789211817,0.0
1-chloro-4-methoxybenzene,1,2.8473122684357177,2.8473122684357177,2.8473122684357177,2.8473122684357177,0.0
"1,2-dichloro-3-methoxybenzene",1,3.816712825623821,3.816712825623821,3.816712825623821,3.816712825623821,0.0
"1,5-dichloro-2-methoxybenzene",1,4.422848629194137,4.422848629194137,4.422848629194137,4.422848629194137,0.0
"1,4-dichloro-2-methoxybenzene",1,3.863232841258714,3.863232841258714,3.863232841258714,3.863232841258714,0.0
"1,3-dichloro-2-methoxybenzene",1,4.733003557497976,4.733003557497976,4.733003557497976,4.733003557497976,0.0
"1,2-dichloro-4-methoxybenzene",1,4.688551794927142,4.688551794927142,4.688551794927142,4.688551794927142,0.0
"1,3-dichloro-5-methoxybenzene",1,6.074846156047033,6.074846156047033,6.074846156047033,6.074846156047033,0.0
"1,2,3-trichloro-4-methoxybenzene",1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
"1,2,5-trichloro-3-methoxybenzene",1,4.879607031689852,4.879607031689852,4.879607031689852,4.879607031689852,0.0
"1,2,4-trichloro-3-methoxybenzene",2,4.509860006183766,4.62537289330561,4.567616449744689,4.567616449744689,0.11551288712184427
"1,2,4-trichloro-5-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"1,3,5-trichloro-2-methoxybenzene",2,5.381698975487088,5.426150738057921,5.4039248567725044,5.4039248567725044,0.04445176257083361
"1,2,3-trichloro-5-methoxybenzene",1,5.426150738057921,5.426150738057921,5.426150738057921,5.426150738057921,0.0
"1,2,3,4-tetrachloro-5-methoxybenzene",1,5.035953102080546,5.035953102080546,5.035953102080546,5.035953102080546,0.0
"1,2,3,5-tetrachloro-4-methoxybenzene",1,5.7763531674910364,5.7763531674910364,5.7763531674910364,5.7763531674910364,0.0
"1,2,4,5-tetrachloro-3-methoxybenzene",1,5.744604469176457,5.744604469176457,5.744604469176457,5.744604469176457,0.0
pentachloromethoxybenzene,1,6.165817934252759,6.165817934252759,6.165817934252759,6.165817934252759,0.0
"4,5-dichloro-2-methoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trichloro-2-methoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"4,5,6-trichloro-2-methoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachloro-6-methoxyphenol",0,0.0,0.0,0.0,0.0,0.0
3-chlorobenzoic acid,0,0.0,0.0,0.0,0.0,0.0
"1,2,3-trichloro-4,5-dimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrachloro-5,6-dimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
"3-chloro-2,6-dimethoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichloro-2,6-dimethoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichloro-2-hydroxybenzoic acid",0,0.0,0.0,0.0,0.0,0.0
"3,6-dichloro-2-hydroxybenzoic acid",0,0.0,0.0,0.0,0.0,0.0
5-chloro-2-methoxybenzoic acid,0,0.0,0.0,0.0,0.0,0.0
2-chloroacetophenone,0,0.0,0.0,0.0,0.0,0.0
"2,2,2',4',5'-pentachloroacetophenone",0,0.0,0.0,0.0,0.0,0.0
tetrachloroterephthaloyl chloride,0,0.0,0.0,0.0,0.0,0.0
chloroxylenol,0,0.0,0.0,0.0,0.0,0.0
"4,5,6,7-tetrachloro-1,3-isobenzofurandione",0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trichloro-2,6-dimethoxyphenol",0,0.0,0.0,0.0,0.0,0.0
"4,5,6,7-tetrachlorophthalide",1,-2.890371757896165,-2.890371757896165,-2.890371757896165,-2.890371757896165,0.0
dicamba,1,-9.998797732340453,-9.998797732340453,-9.998797732340453,-9.998797732340453,0.0
"(2,4-dichlorophenoxy)-ethanoic acid",5,-15.520258650202699,1.9661128563728327,-6.359636964023888,-6.877296071497429,17.48637150657553
"2,4,5-trichlorophenoxyethanoic acid",1,-13.641157170819497,-13.641157170819497,-13.641157170819497,-13.641157170819497,0.0
"1,4-dichloro-2,5-dimethoxybenzene",0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trichlorophenylacetic acid",0,0.0,0.0,0.0,0.0,0.0
4-methoxy-benzoyl chloride,0,0.0,0.0,0.0,0.0,0.0
isobenzan,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-4-hydroxy-3,5-dimethoxybenzaldehyde",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichloro-4-hydroxy-3,5-dimethoxybenzaldehyde",0,0.0,0.0,0.0,0.0,0.0
"methyl 2,4-dichlorophenoxyethanoate",0,0.0,0.0,0.0,0.0,0.0
(2-methyl-4-chlorophenoxy)acetic acid,1,-4.59511985013459,-4.59511985013459,-4.59511985013459,-4.59511985013459,0.0
"$\alpha$-(2,4-dichlorophenoxy)propionic acid",0,0.0,0.0,0.0,0.0,0.0
"($R$)-2-(2,4-dichlorophenoxy)propanoic acid",0,0.0,0.0,0.0,0.0,0.0
"2-(2,4,5-trichlorophenoxy)propanoic acid",0,0.0,0.0,0.0,0.0,0.0
tridiphane,1,1.6607312068216509,1.6607312068216509,1.6607312068216509,1.6607312068216509,0.0
plifenat,1,-9.305650551780507,-9.305650551780507,-9.305650551780507,-9.305650551780507,0.0
"ethyl 2,4-dichlorophenoxyethanoate",0,0.0,0.0,0.0,0.0,0.0
mecoprop,1,-9.104979856318357,-9.104979856318357,-9.104979856318357,-9.104979856318357,0.0
($R$)-2-(4-chloro-2-methylphenoxy)propanoic acid,0,0.0,0.0,0.0,0.0,0.0
dacthal,1,-1.4816045409242156,-1.4816045409242156,-1.4816045409242156,-1.4816045409242156,0.0
"4-(2,4-dichlorophenoxy)-butanoic acid",0,0.0,0.0,0.0,0.0,0.0
dichlone,0,0.0,0.0,0.0,0.0,0.0
"(2,4-dichlorophenoxy)-acetic acid 1-methylethyl ester",0,0.0,0.0,0.0,0.0,0.0
4-(4-chloro-2-methylphenoxy)butanoic acid,0,0.0,0.0,0.0,0.0,0.0
triclosan,0,0.0,0.0,0.0,0.0,0.0
monobutyl tetrachlorophthalate,0,0.0,0.0,0.0,0.0,0.0
"(2,4-dichlorophenoxy)-acetic acid butyl ester",0,0.0,0.0,0.0,0.0,0.0
sucralose,0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6-pentachlorodibenzo-$p$-dioxin",0,0.0,0.0,0.0,0.0,0.0
endrin aldehyde,0,0.0,0.0,0.0,0.0,0.0
clorophene,0,0.0,0.0,0.0,0.0,0.0
(4-chlorophenyl)phenylmethanone,0,0.0,0.0,0.0,0.0,0.0
"1-(4-chlorophenyl)-4,4-dimethyl-3-pentanone",0,0.0,0.0,0.0,0.0,0.0
hexachlorophene,0,0.0,0.0,0.0,0.0,0.0
"2,4'-dichlorobenzophenone",0,0.0,0.0,0.0,0.0,0.0
"1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one",0,0.0,0.0,0.0,0.0,0.0
dichlorophen,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
dicofol,0,0.0,0.0,0.0,0.0,0.0
"bis(2,4-dichlorobenzoyl)peroxide",0,0.0,0.0,0.0,0.0,0.0
dipropyl tetrachlorophthalate,0,0.0,0.0,0.0,0.0,0.0
2-(4-chlorobenzoyl)benzoic acid,0,0.0,0.0,0.0,0.0,0.0
"(2,4,5-trichlorophenoxy)acetic acid butoxyethanol ester",0,0.0,0.0,0.0,0.0,0.0
"(2,4-dichlorophenoxy)-acetic acid, 2-butoxyethyl ester",0,0.0,0.0,0.0,0.0,0.0
"1-chloro-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
"4,4'-(1-methylethylidene)bis(2,6-dichlorophenol)",0,0.0,0.0,0.0,0.0,0.0
methoxychlor,1,-3.891820298110627,-3.891820298110627,-3.891820298110627,-3.891820298110627,0.0
diclofop-methyl,0,0.0,0.0,0.0,0.0,0.0
chlorobenzilate,1,-5.560681631015528,-5.560681631015528,-5.560681631015528,-5.560681631015528,0.0
"(2,4-dichlorophenoxy)-acetic acid 2-ethylhexyl ester",1,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.5978370007556204,0.0
"(2,4-dichlorophenoxy)-acetic acid, isooctyl ester",0,0.0,0.0,0.0,0.0,0.0
chloropropylate,1,-4.605170185988091,-4.605170185988091,-4.605170185988091,-4.605170185988091,0.0
"1-(2-(2-chloroethoxy)ethoxy)-4-(1,1,3,3-tetramethylbutyl)benzene",0,0.0,0.0,0.0,0.0,0.0
fenofibrate,0,0.0,0.0,0.0,0.0,0.0
spirodiclofen,0,0.0,0.0,0.0,0.0,0.0
permethrin,0,0.0,0.0,0.0,0.0,0.0
chlormadinone acetate,0,0.0,0.0,0.0,0.0,0.0
"3,4,5,6-tetrachlorophthalic acid bis(2-ethylhexyl) ester",0,0.0,0.0,0.0,0.0,0.0
endosulfan alcohol,0,0.0,0.0,0.0,0.0,0.0
chlorendic anhydride,0,0.0,0.0,0.0,0.0,0.0
"1,4,5,6,7,7-hexachloro-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",0,0.0,0.0,0.0,0.0,0.0
heptachlorepoxide,8,-2.5649493574615367,1.1711829815029449,0.38792180337109,0.7135581778200729,3.736132338964482
dieldrin,17,-4.04305126783455,3.0576076772720784,0.0026970906473896485,0.08338160893905121,7.100658945106629
endrin,6,-8.630521876723241,0.09431067947124121,-2.207009825165589,-0.5288951470739273,8.724832556194484
"1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester",0,0.0,0.0,0.0,0.0,0.0
di-2-ethylhexyl chlorendate,0,0.0,0.0,0.0,0.0,0.0
2-chlorodiphenyl ether,0,0.0,0.0,0.0,0.0,0.0
3-chlorodiphenyl ether,0,0.0,0.0,0.0,0.0,0.0
4-chlorodiphenyl ether,2,2.407945608651872,3.2188758248682006,2.8134107167600364,2.8134107167600364,0.8109302162163288
"2,3-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4'-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,5-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4'-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"4,4'-dichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4'-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,5-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4,4'-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4,5-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4',5-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4',6-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4'-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,3',4-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4,4'-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4',5-trichlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,5'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4',5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4',6-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,5,6-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,5'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4',5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4',6-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4,4',5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4,4',6-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,4'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,5'-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,4,4',5-tetrachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,6'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,5,5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,5,6'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4',5-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4',6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5,6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4',5,6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',5-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',6-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,5,5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',5'-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,4',5-pentachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,6'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',6-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',6'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5,5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5,6-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5',6-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5,5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5,6'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4',5,6-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,4',5,6-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3',4,4',5,5'-hexachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5,6'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5',6'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,5'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,6-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,6'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',6,6'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4',5,5',6-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5,5'-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,3,3',4,4',5,6-heptachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,5'-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,6-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,6'-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',6,6'-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,5,5',6'-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,5',6-octachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,5',6-nonachlorodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
decachlorodiphenyl ether,0,0.0,0.0,0.0,0.0,0.0
1-chlorodibenzofuran,0,0.0,0.0,0.0,0.0,0.0
2-chlorodibenzofuran,0,0.0,0.0,0.0,0.0,0.0
3-chlorodibenzofuran,0,0.0,0.0,0.0,0.0,0.0
4-chlorodibenzofuran,0,0.0,0.0,0.0,0.0,0.0
"1,2-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,6-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,7-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,8-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,9-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,7-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,8-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,6-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,7-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"4,6-dichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4,6-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4,7-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4,8-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4,9-trichlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,7,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,7,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,8,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,7,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,7,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,9-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,7,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,6,7,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,6,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,7,8-tetrachlorodibenzofuran",1,0.5276327420823718,0.5276327420823718,0.5276327420823718,0.5276327420823718,0.0
"2,4,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,4,6,8-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"3,4,6,7-tetrachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,7-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,8,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,7,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,8,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,7,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,7,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,7-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,7,8-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,8,9-pentachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,8,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,7,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,7,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,8,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7,8,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,8,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7,9-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,7,8-hexachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7,8-heptachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7,9-heptachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,8,9-heptachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7,8,9-heptachlorodibenzofuran",0,0.0,0.0,0.0,0.0,0.0
octachlorodibenzofuran,0,0.0,0.0,0.0,0.0,0.0
"1-chlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2-chlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,6-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,7-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,8-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,9-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,7-dichlorodibenzo[$b,e$][1,4]dioxin",1,1.7719568419318752,1.7719568419318752,1.7719568419318752,1.7719568419318752,0.0
"2,8-dichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4-trichlorodibenzo[$b,e$][1,4]dioxin",1,1.3093333199837622,1.3093333199837622,1.3093333199837622,1.3093333199837622,0.0
"1,2,6-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,7-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,8-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,9-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,6-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,7-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,8-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,9-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4,6-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4,7-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,7,8-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3,7-trichlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrachlorodibenzo[$b,e$][1,4]dioxin",1,0.6931471805599453,0.6931471805599453,0.6931471805599453,0.6931471805599453,0.0
"1,2,3,6-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,7-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,7-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,6,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,7,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,7,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,8,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",1,1.9661128563728327,1.9661128563728327,1.9661128563728327,1.9661128563728327,0.0
"1,3,6,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,7,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,7,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,9-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4,7,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3,7,8-tetrachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,7-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,9-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,7,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,4,6,7,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,7-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,8-pentachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,9-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,7,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,6,7,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,7,8,9-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,6,7,9-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,3,4,6,7,9-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6,7,8-hexachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7,8-heptachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4,6,7,9-heptachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
"octachlorodibenzo[$b,e$][1,4]dioxin",0,0.0,0.0,0.0,0.0,0.0
cyanogen chloride,1,5.278514739251857,5.278514739251857,5.278514739251857,5.278514739251857,0.0
"N,N-dichloromethylamine",1,5.713832810509703,5.713832810509703,5.713832810509703,5.713832810509703,0.0
chloroacetonitrile,0,0.0,0.0,0.0,0.0,0.0
dichloroacetonitrile,0,0.0,0.0,0.0,0.0,0.0
trichloroacetonitrile,0,0.0,0.0,0.0,0.0,0.0
tetramethylammonium chloride,0,0.0,0.0,0.0,0.0,0.0
metformin hydrochloride,0,0.0,0.0,0.0,0.0,0.0
tris(2-chloroethyl)amine,0,0.0,0.0,0.0,0.0,0.0
bis(2-chloroethyl)ethylamine,0,0.0,0.0,0.0,0.0,0.0
cetrimonium chloride,0,0.0,0.0,0.0,0.0,0.0
dimethyldioctadecylammonium chloride,0,0.0,0.0,0.0,0.0,0.0
1-amino-2-chlorobenzene,1,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,-0.4700036292457356,0.0
1-amino-3-chlorobenzene,2,-2.2823823856765264,-2.0149030205422647,-2.1486427031093953,-2.1486427031093953,0.26747936513426174
1-amino-4-chlorobenzene,2,-2.151762203259462,0.08338160893905121,-1.0341902971602053,-1.0341902971602053,2.235143812198513
"2,3-dichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"3,4-dichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,5-dichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,4,5-trichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichlorobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5,6-pentachloroaniline",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichlorobenzenenitrile",1,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.0
"(2,4,6-trichlorophenyl)hydrazine",0,0.0,0.0,0.0,0.0,0.0
4-chlorobenzonitrile,0,0.0,0.0,0.0,0.0,0.0
3-chloro-2-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
3-chloro-4-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
4-chloro-2-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
5-chloro-2-methylbenzenamine,0,0.0,0.0,0.0,0.0,0.0
"2,4,5,6-tetrachloro-1,3-dicyanobenzene",3,-3.912023005428146,-3.6635616461296463,-3.794082380442704,-3.8066624897703196,0.24846135929849966
2-chlorobenzalmalononitrile,0,0.0,0.0,0.0,0.0,0.0
benzyltrimethylammonium chloride,0,0.0,0.0,0.0,0.0,0.0
chlordimeform,1,-3.258096538021482,-3.258096538021482,-3.258096538021482,-3.258096538021482,0.0
"4,4'-dichloroazobenzene",0,0.0,0.0,0.0,0.0,0.0
"bis(3,4-dichlorophenyl)diazene",0,0.0,0.0,0.0,0.0,0.0
2-($p$-chlorophenyl)-3-methylbutyronitrile,0,0.0,0.0,0.0,0.0,0.0
"3,3'-dichloro-(1,1'-biphenyl)-4,4'-diamine",1,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,-2.4849066497880004,0.0
"4,4'-methylenebis(2-chlorobenzenamine)",0,0.0,0.0,0.0,0.0,0.0
"aniline, 4,4'-(imidocarbonyl)bis-(N,N-dimethyl)-, hydrochloride",0,0.0,0.0,0.0,0.0,0.0
amitriptyline hydrochloride,0,0.0,0.0,0.0,0.0,0.0
chlorhexidine,0,0.0,0.0,0.0,0.0,0.0
malachite green,0,0.0,0.0,0.0,0.0,0.0
tetradecylbenzyldimethyl ammonium chloride,0,0.0,0.0,0.0,0.0,0.0
stearyldimethylbenzylammonium chloride,0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichloro-1,3,5-triazine",0,0.0,0.0,0.0,0.0,0.0
2-chloropyridine,1,0.30110509278392145,0.30110509278392145,0.30110509278392145,0.30110509278392145,0.0
3-chloropyridine,1,1.0498221244986776,1.0498221244986776,1.0498221244986776,1.0498221244986776,0.0
"2,3,4,6-tetrachloropyridine",0,0.0,0.0,0.0,0.0,0.0
"2,3,5,6-tetrachloropyridine",0,0.0,0.0,0.0,0.0,0.0
pentachloropyridine,0,0.0,0.0,0.0,0.0,0.0
desethylatrazine,0,0.0,0.0,0.0,0.0,0.0
2-chloro-6-(trichloromethyl)-pyridine,0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachloro-6-methylpyridine",0,0.0,0.0,0.0,0.0,0.0
2-chloro-5-(trichloromethyl)pyridine,0,0.0,0.0,0.0,0.0,0.0
"2,3-dichloro-5-(trichloromethyl)pyridine",0,0.0,0.0,0.0,0.0,0.0
"2,5-dichloro-6-(trichloromethyl)pyridine",0,0.0,0.0,0.0,0.0,0.0
"3,4,5-trichloro-2-(trichloromethyl)pyridine",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachloro-6-(trichloromethyl)pyridine",0,0.0,0.0,0.0,0.0,0.0
"3,4,5,6-tetrachloropyridine-2-carbonitrile",0,0.0,0.0,0.0,0.0,0.0
"4-amino-3,5,6-trichloropyridine-2-carbonitrile",0,0.0,0.0,0.0,0.0,0.0
crimidine,0,0.0,0.0,0.0,0.0,0.0
simazine,2,-17.942644943009366,-9.305650551780507,-13.624147747394936,-13.624147747394936,8.636994391228859
desethylterbuthylazine,0,0.0,0.0,0.0,0.0,0.0
atrazine,3,-15.931766072766827,-7.549609165154532,-10.61591517986767,-8.366370301681654,8.382156907612295
clonidine,0,0.0,0.0,0.0,0.0,0.0
cyprazine,0,0.0,0.0,0.0,0.0,0.0
propazine,0,0.0,0.0,0.0,0.0,0.0
terbuthylazine,0,0.0,0.0,0.0,0.0,0.0
cyanazine,2,-22.839521351748964,-15.176487111099874,-19.00800423142442,-19.00800423142442,7.66303424064909
anilazine,1,-10.46310334047155,-10.46310334047155,-10.46310334047155,-10.46310334047155,0.0
"4,7-dichloroquinoline",0,0.0,0.0,0.0,0.0,0.0
acetamiprid,0,0.0,0.0,0.0,0.0,0.0
pyrimethamine,0,0.0,0.0,0.0,0.0,0.0
penconazole,0,0.0,0.0,0.0,0.0,0.0
myclobutanil,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine",0,0.0,0.0,0.0,0.0,0.0
trichloronitromethane,3,5.339139361068292,5.360192770266124,5.35317496720018,5.360192770266124,0.021053409197832273
phosgene oxime,0,0.0,0.0,0.0,0.0,0.0
"1,1-dichloro-1-nitroethane",0,0.0,0.0,0.0,0.0,0.0
2-chloroacetamide,0,0.0,0.0,0.0,0.0,0.0
symclosene,0,0.0,0.0,0.0,0.0,0.0
"1,3-dichloro-5,5-dimethylhydantoin",0,0.0,0.0,0.0,0.0,0.0
carmustine,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-N,N-di-2-propenylacetamide",0,0.0,0.0,0.0,0.0,0.0
"2,2-dichloro-N,N-di-2-propenylacetamide",0,0.0,0.0,0.0,0.0,0.0
lomustine,0,0.0,0.0,0.0,0.0,0.0
semustine,0,0.0,0.0,0.0,0.0,0.0
dimethazone,1,-5.480638923341991,-5.480638923341991,-5.480638923341991,-5.480638923341991,0.0
2-chloronitrobenzene,2,-0.0953101798043249,1.5141277326297755,0.7094087764127253,0.7094087764127253,1.6094379124341005
3-chloronitrobenzene,1,0.3147107448397002,0.3147107448397002,0.3147107448397002,0.3147107448397002,0.0
4-chloronitrobenzene,2,-0.6931471805599453,1.7147984280919264,0.5108256237659905,0.5108256237659905,2.407945608651872
"1,2-dichloro-4-nitrobenzene",1,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,-0.1823215567939546,0.0
"1,4-dichloro-2-nitrobenzene",1,0.19845093872383823,0.19845093872383823,0.19845093872383823,0.19845093872383823,0.0
"2,3-dichloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"3,5-dichloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
pentachloronitrobenzene,2,-0.9932517730102834,1.5606477482646683,0.28369798762719245,0.28369798762719245,2.5538995212749516
4-chloro-2-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
2-chloro-4-nitrobenzenamine,1,-6.907755278982137,-6.907755278982137,-6.907755278982137,-6.907755278982137,0.0
2-chloro-5-nitrobenzenamine,0,0.0,0.0,0.0,0.0,0.0
"4-chloro-2,6-dinitrobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"1-chloro-2,4-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1-chloro-2,6-dinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2-chloro-1,3,5-trinitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2,3,4-trichloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5-tetrachloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-tetrachloronitrobenzene",0,0.0,0.0,0.0,0.0,0.0
4-chloro-2-nitrobenzenamine,0,0.0,0.0,0.0,0.0,0.0
4-chloro-3-nitrobenzenamine,0,0.0,0.0,0.0,0.0,0.0
botran,0,0.0,0.0,0.0,0.0,0.0
"3,5-dichlorophenyl isocyanate",0,0.0,0.0,0.0,0.0,0.0
4-chloro-3-nitrobenzoic acid,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-isocyanatobenzene,0,0.0,0.0,0.0,0.0,0.0
"1,2-dichloro-4-isocyanatobenzene",0,0.0,0.0,0.0,0.0,0.0
2-chloro-1-methyl-4-nitrobenzene,0,0.0,0.0,0.0,0.0,0.0
"2,4-dichloro-3-methyl-6-nitrophenol",0,0.0,0.0,0.0,0.0,0.0
4-chloro-5-methyl-2-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
"3-amino-2,5-dichlorobenzoic acid",0,0.0,0.0,0.0,0.0,0.0
"2,3,5,6-tetrachloro-4-nitroanisole",0,0.0,0.0,0.0,0.0,0.0
"2,6-dichlorobenzamide",0,0.0,0.0,0.0,0.0,0.0
swep,0,0.0,0.0,0.0,0.0,0.0
N-(4-chlorophenyl)acetamide,0,0.0,0.0,0.0,0.0,0.0
methyl 5-chloro-2-nitrobenzoate,0,0.0,0.0,0.0,0.0,0.0
"4-chloro-2,5-dimethoxynitrobenzene",0,0.0,0.0,0.0,0.0,0.0
chloraniformethan,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
monuron,1,-9.740968623038354,-9.740968623038354,-9.740968623038354,-9.740968623038354,0.0
monolinuron,0,0.0,0.0,0.0,0.0,0.0
diuron,0,0.0,0.0,0.0,0.0,0.0
linuron,1,-8.517193191416238,-8.517193191416238,-8.517193191416238,-8.517193191416238,0.0
propanil,0,0.0,0.0,0.0,0.0,0.0
methazole,1,-3.7612001156935624,-3.7612001156935624,-3.7612001156935624,-3.7612001156935624,0.0
chlortoluron,0,0.0,0.0,0.0,0.0,0.0
metoxuron,0,0.0,0.0,0.0,0.0,0.0
chlorpropham,1,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,-3.1354942159291497,0.0
pyrazon,0,0.0,0.0,0.0,0.0,0.0
"2,4-D dimethylamine",0,0.0,0.0,0.0,0.0,0.0
"3',4'-dichlorocyclopropanecarboxanilide",0,0.0,0.0,0.0,0.0,0.0
chlorbufam,1,-7.003065458786462,-7.003065458786462,-7.003065458786462,-7.003065458786462,0.0
zarilamid,1,-11.918390573078392,-11.918390573078392,-11.918390573078392,-11.918390573078392,0.0
chloramphenicol,0,0.0,0.0,0.0,0.0,0.0
cloethocarb,1,-13.122363377404328,-13.122363377404328,-13.122363377404328,-13.122363377404328,0.0
formetanate hydrochloride,0,0.0,0.0,0.0,0.0,0.0
cyclanilide,1,-9.546812608597396,-9.546812608597396,-9.546812608597396,-9.546812608597396,0.0
propachlor,0,0.0,0.0,0.0,0.0,0.0
barban,1,-6.745236349484363,-6.745236349484363,-6.745236349484363,-6.745236349484363,0.0
propyzamide,0,0.0,0.0,0.0,0.0,0.0
"2,4,6-trichlorophenyl 4-nitrophenyl ether",1,-2.0918640616783932,-2.0918640616783932,-2.0918640616783932,-2.0918640616783932,0.0
nitrofen,0,0.0,0.0,0.0,0.0,0.0
buturon,1,-9.472704636443673,-9.472704636443673,-9.472704636443673,-9.472704636443673,0.0
triclocarban,0,0.0,0.0,0.0,0.0,0.0
"3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide",0,0.0,0.0,0.0,0.0,0.0
procymidone,0,0.0,0.0,0.0,0.0,0.0
melphalan,0,0.0,0.0,0.0,0.0,0.0
niclosamide,0,0.0,0.0,0.0,0.0,0.0
zoxamide,0,0.0,0.0,0.0,0.0,0.0
fenhexamid,1,-12.206072645530174,-12.206072645530174,-12.206072645530174,-12.206072645530174,0.0
chlorambucil,0,0.0,0.0,0.0,0.0,0.0
2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide,0,0.0,0.0,0.0,0.0,0.0
alachlor,6,-7.090076835776092,-4.941642422609305,-6.329278162450425,-6.654836237854662,2.148434413166787
bifenox,0,0.0,0.0,0.0,0.0,0.0
metolachlor,8,-7.090076835776092,-4.867534450455582,-6.285308066642974,-6.504485345024619,2.2225423853205095
clonitralid,0,0.0,0.0,0.0,0.0,0.0
chloroxuron,1,-10.87804719253426,-10.87804719253426,-10.87804719253426,-10.87804719253426,0.0
CGA 80000,1,-15.29711509888849,-15.29711509888849,-15.29711509888849,-15.29711509888849,0.0
pigment red 4,0,0.0,0.0,0.0,0.0,0.0
darendoside b,0,0.0,0.0,0.0,0.0,0.0
butenachlor,1,-4.605170185988091,-4.605170185988091,-4.605170185988091,-4.605170185988091,0.0
butachlor,1,-5.075173815233827,-5.075173815233827,-5.075173815233827,-5.075173815233827,0.0
pretilachlor,0,0.0,0.0,0.0,0.0,0.0
halofenozide,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-cypermethrin,0,0.0,0.0,0.0,0.0,0.0
$\beta$-cypermethrin,0,0.0,0.0,0.0,0.0,0.0
$\delta$-cypermethrin,0,0.0,0.0,0.0,0.0,0.0
ochratoxin C,0,0.0,0.0,0.0,0.0,0.0
mandipropamid,0,0.0,0.0,0.0,0.0,0.0
fenvalerate,0,0.0,0.0,0.0,0.0,0.0
esfenvalerate,0,0.0,0.0,0.0,0.0,0.0
picloram,0,0.0,0.0,0.0,0.0,0.0
aminopyralid,0,0.0,0.0,0.0,0.0,0.0
"3,4,5,6-tetrachloropyridine-2-carboxylic acid",0,0.0,0.0,0.0,0.0,0.0
"[(3,5,6-trichloro-2-pyridinyl)oxy]-acetic acid",1,-9.392661928770137,-9.392661928770137,-9.392661928770137,-9.392661928770137,0.0
clopidol,0,0.0,0.0,0.0,0.0,0.0
"[(3,5,6-trichloro-2-pyridinyl)oxy]-acetic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
uracil mustard,0,0.0,0.0,0.0,0.0,0.0
imidacloprid,1,-22.31250104206299,-22.31250104206299,-22.31250104206299,-22.31250104206299,0.0
"ethyl [(3,5,6-trichloro-2-pyridinyl)oxy]acetate",0,0.0,0.0,0.0,0.0,0.0
"N-methyl-3,4,5,6-tetrachlorophthalimide",0,0.0,0.0,0.0,0.0,0.0
terbacil,0,0.0,0.0,0.0,0.0,0.0
triforine,0,0.0,0.0,0.0,0.0,0.0
anagrelide,0,0.0,0.0,0.0,0.0,0.0
fenpiclonil,1,-7.549609165154532,-7.549609165154532,-7.549609165154532,-7.549609165154532,0.0
fenchlorazole-ethyl,1,-7.901007051992421,-7.901007051992421,-7.901007051992421,-7.901007051992421,0.0
vinclozoline,0,0.0,0.0,0.0,0.0,0.0
forchlorfenuron,1,-15.068273526459642,-15.068273526459642,-15.068273526459642,-15.068273526459642,0.0
myclozolin,1,-5.91350300563827,-5.91350300563827,-5.91350300563827,-5.91350300563827,0.0
clofencet,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
chlozolinate,1,-6.0867747269123065,-6.0867747269123065,-6.0867747269123065,-6.0867747269123065,0.0
monalide,1,-5.991464547107982,-5.991464547107982,-5.991464547107982,-5.991464547107982,0.0
etaconazole,1,-8.974618038455112,-8.974618038455112,-8.974618038455112,-8.974618038455112,0.0
triadimenol,0,0.0,0.0,0.0,0.0,0.0
triadimefon,0,0.0,0.0,0.0,0.0,0.0
imazalil,0,0.0,0.0,0.0,0.0,0.0
propiconazole,0,0.0,0.0,0.0,0.0,0.0
clonazepam,0,0.0,0.0,0.0,0.0,0.0
oxazepam,0,0.0,0.0,0.0,0.0,0.0
oxadiazon,1,-4.941642422609305,-4.941642422609305,-4.941642422609305,-4.941642422609305,0.0
cyproconazole,0,0.0,0.0,0.0,0.0,0.0
diclobutrazol,1,-8.987196820661973,-8.987196820661973,-8.987196820661973,-8.987196820661973,0.0
diazepam,0,0.0,0.0,0.0,0.0,0.0
bendamustine,0,0.0,0.0,0.0,0.0,0.0
piperalin,0,0.0,0.0,0.0,0.0,0.0
tebuconazole,0,0.0,0.0,0.0,0.0,0.0
fenarimol,0,0.0,0.0,0.0,0.0,0.0
triticonazole,0,0.0,0.0,0.0,0.0,0.0
boscalid,1,-9.852194258148577,-9.852194258148577,-9.852194258148577,-9.852194258148577,0.0
tebufenpyrad,0,0.0,0.0,0.0,0.0,0.0
"8,9,10,11-tetrachloro-12-phthaloperinone",0,0.0,0.0,0.0,0.0,0.0
pigment red 254,0,0.0,0.0,0.0,0.0,0.0
quizalofop ethyl,0,0.0,0.0,0.0,0.0,0.0
pyraclostrobine,1,-12.154779351142624,-12.154779351142624,-12.154779351142624,-12.154779351142624,0.0
ponsol red violet 2rnx,0,0.0,0.0,0.0,0.0,0.0
dimethomorph,0,0.0,0.0,0.0,0.0,0.0
aripiprazole,0,0.0,0.0,0.0,0.0,0.0
ag-g-86814,0,0.0,0.0,0.0,0.0,0.0
"8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo(3,2-b:3',2'-m)triphenodioxazine",0,0.0,0.0,0.0,0.0,0.0
fluoroethene,0,0.0,0.0,0.0,0.0,0.0
"1,2-difluoroethane",0,0.0,0.0,0.0,0.0,0.0
trifluoroethene,0,0.0,0.0,0.0,0.0,0.0
"3,3,3-trifluoropropene",0,0.0,0.0,0.0,0.0,0.0
"1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-1-propene",0,0.0,0.0,0.0,0.0,0.0
decafluorobutane,0,0.0,0.0,0.0,0.0,0.0
tetradecafluorohexane,0,0.0,0.0,0.0,0.0,0.0
"1,1,1,3,3,3-hexafluoro-2-propanone",0,0.0,0.0,0.0,0.0,0.0
desflurane,0,0.0,0.0,0.0,0.0,0.0
sevoflurane,0,0.0,0.0,0.0,0.0,0.0
metofluthrin,0,0.0,0.0,0.0,0.0,0.0
fluoxymesterone,0,0.0,0.0,0.0,0.0,0.0
dexamethasone,0,0.0,0.0,0.0,0.0,0.0
flocoumafen,0,0.0,0.0,0.0,0.0,0.0
chlorofluoromethane,4,6.437751649736401,6.502290170873972,6.486155540589579,6.502290170873972,0.06453852113757108
chlorodifluoromethane,9,7.929406526514119,8.468403027246806,8.030723050213222,7.986564940354067,0.5389965007326873
dichlorofluoromethane,3,6.2659013928097425,10.177924398237888,7.569909061285791,6.2659013928097425,3.9120230054281455
chlorotrifluoromethane,9,11.52297580082373,12.07504438312377,11.704370499484613,11.652187532303737,0.5520685823000395
dichlorodifluoromethane,19,8.947976107508692,12.562747589468906,10.599357709672836,10.4482147279778,3.6147714819602133
trichlorofluoromethane,25,8.180720954795024,11.330603908176274,9.166163084906293,9.115030192171858,3.1498829533812494
"1,1,1,2-tetrachlorodifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrachlorodifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1-trichloro-2,2,2-trifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1,1,2-trichloro-1,2,2-trifluoroethane",9,8.517193191416238,10.819778284410283,10.280221181087686,10.381523353479128,2.302585092994045
"1,1-dichlorotetrafluoroethane",2,11.80060753742201,12.0576526404119,11.929130088916956,11.929130088916956,0.25704510298989014
"1,2-dichlorotetrafluoroethane",3,11.618285980628055,11.72364649628588,11.68852632439994,11.72364649628588,0.105360515657825
chloropentafluoroethane,4,12.480509491231935,12.684108446473173,12.602178203051466,12.622047437250377,0.2035989552412385
"1,1,2,2-tetrachloro-1-fluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1,1-dichloro-1,2,2-trifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1,2-dichloro-1,1,2-trifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"2,2-dichloro-1,1,1-trifluoroethane",2,8.016417903503749,8.377431249041079,8.196924576272414,8.196924576272414,0.3610133455373301
"1-chloro-1,1,2,2-tetrafluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1-chloro-1,2,2,2-tetrafluoroethane",3,9.115030192171858,9.210340371976184,9.146800252106633,9.115030192171858,0.09531017980432566
"1,2-dichloro-1,1-difluoroethane",0,0.0,0.0,0.0,0.0,0.0
"2-chloro-1,1,1-trifluoroethane",3,7.799353398265921,7.902007552326004,7.867789500972642,7.902007552326004,0.10265415406008316
"1,1-dichloro-1-fluoroethane",2,8.145629634983754,8.145629634983754,8.145629634983754,8.145629634983754,0.0
"1-chloro-1,1-difluoroethane",5,8.568486485803788,8.87386813535497,8.785194656849953,8.804875263868018,0.3053816495511814
"1-chloro-1,2-difluoroethane",0,0.0,0.0,0.0,0.0,0.0
"1-chloro-1,1,2-trifluoroethane",0,0.0,0.0,0.0,0.0,0.0
"2-chloro-1,1-difluoroethene",2,8.679712120914012,8.679712120914012,8.679712120914012,8.679712120914012,0.0
chlorotrifluoroethene,0,0.0,0.0,0.0,0.0,0.0
"3,3-dichloro-1,1,1,2,2-pentafluoropropane",1,9.230543079293701,9.230543079293701,9.230543079293701,9.230543079293701,0.0
"1,3-dichloro-1,1,2,2,3-pentafluoro-propane",1,9.115030192171858,9.115030192171858,9.115030192171858,9.115030192171858,0.0
1-chloro-3-(trifluoromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
1-chloro-4-(trifluoromethyl)benzene,0,0.0,0.0,0.0,0.0,0.0
3-chloro-4-fluorobenzotrifluoride,0,0.0,0.0,0.0,0.0,0.0
"3,4-dichlorobenzotrifluoride",0,0.0,0.0,0.0,0.0,0.0
chlorodifluoroethanoic acid,2,-5.521460917862246,-5.480638923341991,-5.501049920602119,-5.501049920602119,0.04082199452025481
carbonic chloride fluoride,1,2.312635428847547,2.312635428847547,2.312635428847547,2.312635428847547,0.0
trifluoroacetylchloride,3,3.912023005428146,5.914503505971854,4.579516505609382,3.912023005428146,2.0024805005437076
"2,2-dichloro-1,1-difluoro-1-methoxyethane",7,5.843044541989709,6.3771270279199666,6.089201440807763,5.914503505971854,0.5340824859302575
"1-chloro-2,2,2-trifluoroethyl difluoromethyl ether",6,7.641724454062338,8.334871634622283,8.10324487310622,8.160718287488175,0.6931471805599454
"2-chloro-1,1,2-trifluoroethyl difluoromethyl ether",4,8.111728083308073,8.2170885989659,8.14654360014145,8.128678859145914,0.10536051565782678
3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid,0,0.0,0.0,0.0,0.0,0.0
3-(2-chloro-4-(trifluoromethyl)phenoxy)phenyl acetate,0,0.0,0.0,0.0,0.0,0.0
tefluthrin,0,0.0,0.0,0.0,0.0,0.0
clobetasol,0,0.0,0.0,0.0,0.0,0.0
EINECS 273-236-7,0,0.0,0.0,0.0,0.0,0.0
4-fluoroaniline,0,0.0,0.0,0.0,0.0,0.0
N-ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine,0,0.0,0.0,0.0,0.0,0.0
cinacalcet,0,0.0,0.0,0.0,0.0,0.0
hydramethylnon,0,0.0,0.0,0.0,0.0,0.0
"3,5-dichloro-2,4,6-trifluoropyridine",0,0.0,0.0,0.0,0.0,0.0
chlorodifluoronitrooxymethane,0,0.0,0.0,0.0,0.0,0.0
1-chloro-2-nitro-4-(trifluoromethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
"2-chloro-1,3-dinitro-5-(trifluoromethyl)-benzene",0,0.0,0.0,0.0,0.0,0.0
fluroxypyr,0,0.0,0.0,0.0,0.0,0.0
norflurazon,0,0.0,0.0,0.0,0.0,0.0
fluchloralin,0,0.0,0.0,0.0,0.0,0.0
fluazinam,0,0.0,0.0,0.0,0.0,0.0
5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenol,0,0.0,0.0,0.0,0.0,0.0
tetraconazole,0,0.0,0.0,0.0,0.0,0.0
fluopicolide,0,0.0,0.0,0.0,0.0,0.0
difluron,0,0.0,0.0,0.0,0.0,0.0
efavirenz,0,0.0,0.0,0.0,0.0,0.0
quinoxyfen,0,0.0,0.0,0.0,0.0,0.0
5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl acetate,0,0.0,0.0,0.0,0.0,0.0
oxyfluorfen,0,0.0,0.0,0.0,0.0,0.0
pyraflufen-ethyl,1,-9.392661928770137,-9.392661928770137,-9.392661928770137,-9.392661928770137,0.0
carfentrazone ethyl,0,0.0,0.0,0.0,0.0,0.0
triflumizole,0,0.0,0.0,0.0,0.0,0.0
"3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-quinazolin-4(3H)-one",0,0.0,0.0,0.0,0.0,0.0
hexaflumuron,0,0.0,0.0,0.0,0.0,0.0
nuarimol,1,-16.523560759066484,-16.523560759066484,-16.523560759066484,-16.523560759066484,0.0
clodinafop-propargyl,0,0.0,0.0,0.0,0.0,0.0
flamprop-methyl,1,-7.696212639346407,-7.696212639346407,-7.696212639346407,-7.696212639346407,0.0
pyridalyl,0,0.0,0.0,0.0,0.0,0.0
lactofen,0,0.0,0.0,0.0,0.0,0.0
chlorfluazuron,0,0.0,0.0,0.0,0.0,0.0
fluazuron,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
flufenoxuron,0,0.0,0.0,0.0,0.0,0.0
fluoxastrobin,0,0.0,0.0,0.0,0.0,0.0
haloperidol,0,0.0,0.0,0.0,0.0,0.0
indoxacarb,0,0.0,0.0,0.0,0.0,0.0
cyfluthrin,0,0.0,0.0,0.0,0.0,0.0
metamifop,1,-2.772588722239781,-2.772588722239781,-2.772588722239781,-2.772588722239781,0.0
cyhalothrin,0,0.0,0.0,0.0,0.0,0.0
bifenthrin,1,-2.2925347571405443,-2.2925347571405443,-2.2925347571405443,-2.2925347571405443,0.0
flucycloxuron,1,-3.6375861597263857,-3.6375861597263857,-3.6375861597263857,-3.6375861597263857,0.0
fluvalinate,0,0.0,0.0,0.0,0.0,0.0
bromomethane,14,6.3771270279199666,10.031320924046012,6.7159106038456775,6.437751649736401,3.6541938961260456
dibromomethane,13,3.473768074496991,4.688551794927142,4.374724418797408,4.422848629194137,1.2147837204301513
tribromomethane,24,3.7722610630529876,4.767689115485866,4.08147189610168,4.074541934925921,0.9954280524328785
tetrabromomethane,1,3.912023005428146,3.912023005428146,3.912023005428146,3.912023005428146,0.0
bromoethane,5,6.571283042360924,9.293721980915233,7.160235613364018,6.6453910145146455,2.7224389385543093
"1,1-dibromoethane",0,0.0,0.0,0.0,0.0,0.0
"1,2-dibromoethane",14,3.863232841258714,4.509860006183766,4.151541374856032,4.167435817311142,0.6466271649250523
"1,2-dibromoethane-d4",1,4.135166556742356,4.135166556742356,4.135166556742356,4.135166556742356,0.0
"1,1,2,2-tetrabromoethane",1,4.605170185988092,4.605170185988092,4.605170185988092,4.605170185988092,0.0
1-bromopropane,4,6.571283042360924,6.907755278982137,6.775982129924671,6.812445099177812,0.33647223662121295
2-bromopropane,4,6.907755278982137,7.082108666126914,7.004023883597245,7.013115794639964,0.17435338714477755
"1,2-dibromopropane",1,5.0206856299497575,5.0206856299497575,5.0206856299497575,5.0206856299497575,0.0
"1,3-dibromopropane",0,0.0,0.0,0.0,0.0,0.0
1-bromobutane,5,7.09408485717363,7.6842840684811335,7.2293058132323464,7.1184763102977895,0.5901992113075032
2-bromobutane,1,7.1691200431165445,7.1691200431165445,7.1691200431165445,7.1691200431165445,0.0
1-bromo-2-methylpropane,1,7.77525584668686,7.77525584668686,7.77525584668686,7.77525584668686,0.0
2-bromo-2-methylpropane,2,8.078938260485081,9.24079957946089,8.659868919972986,8.659868919972986,1.1618613189758094
1-bromo-3-methylbutane,0,0.0,0.0,0.0,0.0,0.0
"1,4-dibromobutane",0,0.0,0.0,0.0,0.0,0.0
1-bromopentane,2,7.600902459542082,7.662777863260169,7.631840161401126,7.631840161401126,0.061875403718087085
1-bromo-2-methylbutane,0,0.0,0.0,0.0,0.0,0.0
1-bromohexane,1,8.111728083308073,8.111728083308073,8.111728083308073,8.111728083308073,0.0
1-bromo-3-methylpentane,0,0.0,0.0,0.0,0.0,0.0
bromocyclohexane,0,0.0,0.0,0.0,0.0,0.0
1-bromoheptane,1,8.377431249041079,8.377431249041079,8.377431249041079,8.377431249041079,0.0
1-bromooctane,1,8.679712120914012,8.679712120914012,8.679712120914012,8.679712120914012,0.0
"1,8-dibromooctane",1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
"1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane",0,0.0,0.0,0.0,0.0,0.0
1-bromononane,0,0.0,0.0,0.0,0.0,0.0
hexabromocyclododecane,0,0.0,0.0,0.0,0.0,0.0
vinyl bromide,0,0.0,0.0,0.0,0.0,0.0
"1,2-dibromoethene",0,0.0,0.0,0.0,0.0,0.0
3-bromo-1-propene,2,6.3771270279199666,6.3771270279199666,6.3771270279199666,6.3771270279199666,0.0
3-bromo-1-propyne,1,4.733003557497976,4.733003557497976,4.733003557497976,4.733003557497976,0.0
1-bromocyclohexene,0,0.0,0.0,0.0,0.0,0.0
1-bromo-4-methylcyclohexene,0,0.0,0.0,0.0,0.0,0.0
bromobenzene,15,5.099466507802871,5.546778725846536,5.355179698153367,5.360192770266124,0.44731221804366506
bromobenzene-d5,1,5.035953102080546,5.035953102080546,5.035953102080546,5.035953102080546,0.0
"1,2-dibromobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,3-dibromobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,4-dibromobenzene",2,4.509860006183766,4.667045589706179,4.5884527979449725,4.5884527979449725,0.15718558352241274
"1,2,4-tribromobenzene",2,3.473768074496991,3.540459448995663,3.507113761746327,3.507113761746327,0.06669137449867213
"1,3,5-tribromobenzene",0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-tetrabromobenzene",1,5.914503505971854,5.914503505971854,5.914503505971854,5.914503505971854,0.0
hexabromobenzene,1,2.375155785828881,2.375155785828881,2.375155785828881,2.375155785828881,0.0
(bromomethyl)-benzene,1,3.816712825623821,3.816712825623821,3.816712825623821,3.816712825623821,0.0
$p$-bromobenzyl bromide,0,0.0,0.0,0.0,0.0,0.0
1-bromo-2-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-bromo-3-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-bromo-4-methylbenzene,2,5.472670753692815,5.683979847360021,5.5783253005264175,5.5783253005264175,0.2113090936672064
"3,5-dibromotoluene",1,4.074541934925921,4.074541934925921,4.074541934925921,4.074541934925921,0.0
pentabromotoluene,0,0.0,0.0,0.0,0.0,0.0
1-bromo-2-ethylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-bromo-4-ethylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-(bromomethyl)-2-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-(bromomethyl)-3-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
1-(bromomethyl)-4-methylbenzene,0,0.0,0.0,0.0,0.0,0.0
(2-bromoethyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
2-bromostyrene,0,0.0,0.0,0.0,0.0,0.0
(2-bromoethenyl)benzene,0,0.0,0.0,0.0,0.0,0.0
"2,3,4,5,6-pentabromoethylbenzene",0,0.0,0.0,0.0,0.0,0.0
1-bromo-2-(2-propyl)-benzene,0,0.0,0.0,0.0,0.0,0.0
1-bromonaphthalene,0,0.0,0.0,0.0,0.0,0.0
decabromobiphenyl,0,0.0,0.0,0.0,0.0,0.0
"4-bromo-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
octabromobiphenyl,0,0.0,0.0,0.0,0.0,0.0
hexabromobiphenyl,0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5,5'-hexabromo-1,1'-biphenyl",0,0.0,0.0,0.0,0.0,0.0
"1,2-bis(pentabromophenyl) ethane",0,0.0,0.0,0.0,0.0,0.0
"1,3,6,8-tetrabromopyrene",0,0.0,0.0,0.0,0.0,0.0
6-bromobenzo[$a$]pyrene,0,0.0,0.0,0.0,0.0,0.0
bromomethanol,0,0.0,0.0,0.0,0.0,0.0
dibromomethanol,0,0.0,0.0,0.0,0.0,0.0
tribromomethanol,0,0.0,0.0,0.0,0.0,0.0
formyl bromide,0,0.0,0.0,0.0,0.0,0.0
carbonyl bromide,0,0.0,0.0,0.0,0.0,0.0
bromomethyl peroxide,0,0.0,0.0,0.0,0.0,0.0
dibromomethyl peroxide,0,0.0,0.0,0.0,0.0,0.0
tribromomethyl peroxide,0,0.0,0.0,0.0,0.0,0.0
bromoethanoic acid,2,-7.313220387090301,-7.313220387090301,-7.313220387090301,-7.313220387090301,0.0
dibromoethanoic acid,2,-7.740664401917241,-7.696212639346407,-7.718438520631824,-7.718438520631824,0.04445176257083361
tribromoethanoic acid,2,-8.006367567650246,-7.9724660159745655,-7.989416791812406,-7.989416791812406,0.03390155167568043
"2,3-dibromopropyl alcohol",0,0.0,0.0,0.0,0.0,0.0
bromoacetone,0,0.0,0.0,0.0,0.0,0.0
(bromomethyl)oxirane,0,0.0,0.0,0.0,0.0,0.0
"2,3-dibromobutane-1,4-diol",0,0.0,0.0,0.0,0.0,0.0
"bromoacetic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
brometone,0,0.0,0.0,0.0,0.0,0.0
"2,2-bis(bromomethyl)-1,3-propanediol",0,0.0,0.0,0.0,0.0,0.0
trisbromoneopentyl alcohol,0,0.0,0.0,0.0,0.0,0.0
2-bromophenol,0,0.0,0.0,0.0,0.0,0.0
3-bromophenol,0,0.0,0.0,0.0,0.0,0.0
4-bromophenol,2,-4.23410650459726,-4.204692619390966,-4.219399561994113,-4.219399561994113,0.029413885206293955
"2,4-dibromophenol",0,0.0,0.0,0.0,0.0,0.0
"2,6-dibromophenol",0,0.0,0.0,0.0,0.0,0.0
"2,4,6-tribromophenol",0,0.0,0.0,0.0,0.0,0.0
"2,3,4,6-tetrabromophenol",0,0.0,0.0,0.0,0.0,0.0
pentabromophenol,0,0.0,0.0,0.0,0.0,0.0
1-bromo-2-methoxybenzene,1,3.540459448995663,3.540459448995663,3.540459448995663,3.540459448995663,0.0
1-bromo-3-methoxybenzene,1,4.933674252960127,4.933674252960127,4.933674252960127,4.933674252960127,0.0
1-bromo-4-methoxybenzene,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"1,5-dibromo-2-methoxybenzene",1,2.513306124309698,2.513306124309698,2.513306124309698,2.513306124309698,0.0
"1,3-dibromo-2-methoxybenzene",1,3.2968373663379125,3.2968373663379125,3.2968373663379125,3.2968373663379125,0.0
"1,3,4-tribromo-2-methoxybenzene",1,5.259096653394756,5.259096653394756,5.259096653394756,5.259096653394756,0.0
"1,3,5-tribromo-2-methoxybenzene",2,3.9633162998156966,4.3428059215206005,4.1530611106681485,4.1530611106681485,0.37948962170490397
pentabromomethoxybenzene,1,0.0,0.0,0.0,0.0,0.0
"1,3,5-tribromo-2-methoxy-4-methylbenzene",0,0.0,0.0,0.0,0.0,0.0
"4,5,6,7-tetrabromo-1,3-isobenzofurandione",0,0.0,0.0,0.0,0.0,0.0
"allyl 2,4,6-tribromophenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,4-dibromo-6-methylphenyl glycidyl ether",0,0.0,0.0,0.0,0.0,0.0
"2-(2,4,6-tribromophenoxy)ethyl acrylate",0,0.0,0.0,0.0,0.0,0.0
"1,2,3',4,4',5'-hexabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
heptabromodiphenyl oxide,0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4',5,5',6-octabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
nonabromodiphenyl ether,0,0.0,0.0,0.0,0.0,0.0
"1,2,3-tribromo-4-(3-bromophenoxy)benzene",0,0.0,0.0,0.0,0.0,0.0
"4,4'-methylenebis(2,6-dibromophenol)",0,0.0,0.0,0.0,0.0,0.0
"1,1'-[1,2-ethanediylbis(oxy)]bis pentabromobenzene",0,0.0,0.0,0.0,0.0,0.0
"4,4'-dibromobenzil",0,0.0,0.0,0.0,0.0,0.0
"1,2-bis(2,4,6-tribromophenoxy)ethane",0,0.0,0.0,0.0,0.0,0.0
"2-ethylhexyl-2,3,4,5-tetrabromobenzoate",0,0.0,0.0,0.0,0.0,0.0
tribromobisphenol A,0,0.0,0.0,0.0,0.0,0.0
"4,4'-(1-methylethylidene)bis(2,6-dibromophenol)",0,0.0,0.0,0.0,0.0,0.0
"4-[2-[2,6-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-3,5-bis(bromanyl)phenol",0,0.0,0.0,0.0,0.0,0.0
"2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate",0,0.0,0.0,0.0,0.0,0.0
bromopropylate,0,0.0,0.0,0.0,0.0,0.0
"1,2,4,5-tetrabromo-3,6-bis(pentabromophenoxy)benzene",0,0.0,0.0,0.0,0.0,0.0
"2,2-bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane",0,0.0,0.0,0.0,0.0,0.0
solvent red 43,0,0.0,0.0,0.0,0.0,0.0
"2,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl]-propane",0,0.0,0.0,0.0,0.0,0.0
"2,2-bis(4-allyloxy-3,5-dibromophenyl)propane",0,0.0,0.0,0.0,0.0,0.0
AC1MJ2TG,0,0.0,0.0,0.0,0.0,0.0
"tetrabromophenolphthalein, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
"4,10-dibromodibenzo[$def,mno$]\+chrysene-6,12-dione",0,0.0,0.0,0.0,0.0,0.0
"bis(2-ethylhexyl)-3,4,5,6-tetrabromophthalate",0,0.0,0.0,0.0,0.0,0.0
bromadiolone,0,0.0,0.0,0.0,0.0,0.0
brodifacoum,1,-6.13122648948314,-6.13122648948314,-6.13122648948314,-6.13122648948314,0.0
4-bromodiphenyl ether,3,2.8473122684357177,3.146555163288575,2.996533235092761,2.995732273553991,0.29924289485285716
"4,4'-dibromodiphenyl ether",4,1.4271163556401458,2.645075401940822,2.2946005666500633,2.553105254509642,1.217959046300676
"2,4,4'-tribromodiphenyl ether",5,0.6539264674066639,2.563949857128453,1.852042640403371,2.120263536200091,1.9100233897217893
"2,2',4,4'-tetrabromodiphenyl ether",5,0.10536051565782635,1.83258146374831,1.1242235461206789,1.7719568419318752,1.7272209480904837
"2,3',4,4'-tetrabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"3,3',4,4'-tetrabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,4,4'-pentabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',4,4',5-pentabromodiphenyl ether",5,-0.6418538861723948,1.3093333199837622,0.36974255023356273,0.47803580094299963,1.951187206156157
"2,2',4,4',6-pentabromodiphenyl ether",5,-1.3350010667323402,1.6607312068216509,0.3236631205543701,1.1086626245216111,2.9957322735539913
"2,3',4,4',5-pentabromodiphenyl ether",3,0.1278333715098848,0.47803580094299963,0.28907797886243064,0.2613647641344075,0.35020242943311486
"2,2',4,4',5,5'-hexabromodiphenyl ether",2,-1.252762968495368,-1.0647107369924282,-1.1587368527438981,-1.1587368527438981,0.18805223150293982
"2,2',4,4',5,6'-hexabromodiphenyl ether",1,-1.9878743481543455,-1.9878743481543455,-1.9878743481543455,-1.9878743481543455,0.0
"2,2',3,4,4',5',6-heptabromodiphenyl ether",0,0.0,0.0,0.0,0.0,0.0
"2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether",1,-2.890371757896165,-2.890371757896165,-2.890371757896165,-2.890371757896165,0.0
dibromoacetonitrile,0,0.0,0.0,0.0,0.0,0.0
bromoacetonitrile,0,0.0,0.0,0.0,0.0,0.0
"1,2-dibromo-2,4-dicyanobutane",0,0.0,0.0,0.0,0.0,0.0
4-bromobenzenamine,0,0.0,0.0,0.0,0.0,0.0
"2,4,6-tribromobenzenamine",0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethyl-3,3',4,4',5,5'-hexabromo-2,2'-bipyrrole",0,0.0,0.0,0.0,0.0,0.0
"1,1'-ethylene 2,2'-dipyridylium dibromide",0,0.0,0.0,0.0,0.0,0.0
tralomethrin,0,0.0,0.0,0.0,0.0,0.0
bromomethyl peroxynitrate,0,0.0,0.0,0.0,0.0,0.0
dibromomethyl peroxynitrate,0,0.0,0.0,0.0,0.0,0.0
tribromomethyl peroxynitrate,0,0.0,0.0,0.0,0.0,0.0
"2,2-dibromo-2-cyanoacetamide",0,0.0,0.0,0.0,0.0,0.0
bronopol,0,0.0,0.0,0.0,0.0,0.0
"2,6-dibromo-4-nitroaniline",0,0.0,0.0,0.0,0.0,0.0
"2-bromo-4,6-dinitroaniline",0,0.0,0.0,0.0,0.0,0.0
3-bromonitrobenzene,0,0.0,0.0,0.0,0.0,0.0
"3,5-dibromo-4-hydroxy-benzonitrile",0,0.0,0.0,0.0,0.0,0.0
"2,6-dibromo-3-methyl-4-nitroanisole",0,0.0,0.0,0.0,0.0,0.0
bromacil,0,0.0,0.0,0.0,0.0,0.0
N'-(4-bromophenyl)-N-methoxy-N-methylurea,0,0.0,0.0,0.0,0.0,0.0
bromuron,1,-9.903487552536127,-9.903487552536127,-9.903487552536127,-9.903487552536127,0.0
"tris(2,3-dibromopropyl)isocyanurate",0,0.0,0.0,0.0,0.0,0.0
bromofenoxim,1,-11.77528972943772,-11.77528972943772,-11.77528972943772,-11.77528972943772,0.0
tribromsalan,0,0.0,0.0,0.0,0.0,0.0
"1-amino-2,4-dibromo-9,10-anthracenedione",0,0.0,0.0,0.0,0.0,0.0
"2,6-dibromo-4-cyanophenyl octanoate",0,0.0,0.0,0.0,0.0,0.0
"(2$E$)-N,N'-bis(2,4,6-tribromophenyl)-2-butenediamide",0,0.0,0.0,0.0,0.0,0.0
SAYTEX BT 93,0,0.0,0.0,0.0,0.0,0.0
SAYTEX BN 451,0,0.0,0.0,0.0,0.0,0.0
deltamethrin,0,0.0,0.0,0.0,0.0,0.0
"2,2'-(methylenedi-4,1-phenylene)bis(4,5,6,7-tetrabromo-1H-isoindole-1,3(2H)-dione",0,0.0,0.0,0.0,0.0,0.0
bromotrifluoromethane,2,10.770988120240851,10.819778284410283,10.795383202325567,10.795383202325567,0.04879016416943216
dibromodifluoromethane,0,0.0,0.0,0.0,0.0,0.0
"1-bromo-1,2,2,2-tetrafluoroethane",2,8.679712120914012,9.028018815182229,8.85386546804812,8.85386546804812,0.34830669426821714
"1,2-dibromotetrafluoroethane",0,0.0,0.0,0.0,0.0,0.0
4-bromofluorobenzene,1,5.240048458424061,5.240048458424061,5.240048458424061,5.240048458424061,0.0
bromopentafluorobenzene,0,0.0,0.0,0.0,0.0,0.0
bromethalin,0,0.0,0.0,0.0,0.0,0.0
bromochloromethane,3,4.853631545286591,5.083205986931091,4.985841054055814,5.0206856299497575,0.22957444164450003
bromodichloromethane,20,4.866534950122499,5.843044541989709,5.379697409376706,5.360192770266124,0.9765095918672104
bromotrichloromethane,0,0.0,0.0,0.0,0.0,0.0
dibromochloromethane,20,4.3428059215206005,5.381698975487088,4.654334263771547,4.711086566072263,1.0388930539664871
1-chloro-2-bromoethane,1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"1,2-dibromo-1,1-dichloroethane",0,0.0,0.0,0.0,0.0,0.0
1-bromo-3-chloropropane,0,0.0,0.0,0.0,0.0,0.0
"1,2-dibromo-3-chloropropane",3,0.6931471805599453,3.2188758248682006,2.081689101968967,2.3330443004787544,2.525728644308255
"1,2,3,4,5-pentabromo-6-chlorocyclohexane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3,4-tetrabromo-5,6-dichlorocyclohexane",0,0.0,0.0,0.0,0.0,0.0
"1,2,3-tribromo-4,5,6-trichlorocyclohexane",0,0.0,0.0,0.0,0.0,0.0
1-bromo-4-chlorobenzene,0,0.0,0.0,0.0,0.0,0.0
"1,2,4-tribromo-3,5,6-trichlorobenzene",0,0.0,0.0,0.0,0.0,0.0
1-(bromomethyl)-2-chlorobenzene,0,0.0,0.0,0.0,0.0,0.0
2-bromo-4-chloro-1-methoxybenzene,1,4.017383521085972,4.017383521085972,4.017383521085972,4.017383521085972,0.0
2-bromo-6-chloro-1-methoxybenzene,1,4.268697949366879,4.268697949366879,4.268697949366879,4.268697949366879,0.0
4-bromo-2-chloro-1-methoxybenzene,1,4.3428059215206005,4.3428059215206005,4.3428059215206005,4.3428059215206005,0.0
"2-bromo-3,5-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"2-bromo-4,6-dichloro-1-methoxybenzene",2,4.422848629194137,4.803621124711929,4.613234876953033,4.613234876953033,0.38077249551779246
"4-bromo-2,3-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"4-bromo-2,6-dichloro-1-methoxybenzene",2,4.422848629194137,4.422848629194137,4.422848629194137,4.422848629194137,0.0
"4-bromo-3,5-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"3-bromo-2,6-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"5-bromo-2,4-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"6-bromo-2,3-dichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"6-bromo-2,5-dichloro-1-methoxybenzene",1,4.866534950122499,4.866534950122499,4.866534950122499,4.866534950122499,0.0
"2-bromo-3,4,5-trichloro-1-methoxybenzene",1,4.62537289330561,4.62537289330561,4.62537289330561,4.62537289330561,0.0
"3-bromo-2,4,6-trichloro-1-methoxybenzene",1,4.605170185988092,4.605170185988092,4.605170185988092,4.605170185988092,0.0
"3-bromo-2,5,6-trichloro-1-methoxybenzene",1,4.605170185988092,4.605170185988092,4.605170185988092,4.605170185988092,0.0
"4-bromo-2,3,6-trichloro-1-methoxybenzene",1,4.605170185988092,4.605170185988092,4.605170185988092,4.605170185988092,0.0
"6-bromo-2,3,4-trichloro-1-methoxybenzene",1,4.509860006183766,4.509860006183766,4.509860006183766,4.509860006183766,0.0
"4-bromo-2,3,5,6-tetrachloro-1-methoxybenzene",1,4.688551794927142,4.688551794927142,4.688551794927142,4.688551794927142,0.0
"2,6-dibromo-3-chloro-1-methoxybenzene",1,4.9062752787720125,4.9062752787720125,4.9062752787720125,4.9062752787720125,0.0
"2,6-dibromo-4-chloro-1-methoxybenzene",2,3.912023005428146,4.509860006183766,4.210941505805956,4.210941505805956,0.5978370007556202
"2,4-dibromo-3,5-dichloro-1-methoxybenzene",1,4.699480865459333,4.699480865459333,4.699480865459333,4.699480865459333,0.0
"2,4-dibromo-5,6-dichloro-1-methoxybenzene",1,4.62537289330561,4.62537289330561,4.62537289330561,4.62537289330561,0.0
"2,3-dibromo-5,6-dichloro-1-methoxybenzene",1,4.699480865459333,4.699480865459333,4.699480865459333,4.699480865459333,0.0
"2,6-dibromo-3,4,5-trichloro-1-methoxybenzene",1,4.755993075722675,4.755993075722675,4.755993075722675,4.755993075722675,0.0
"2,4,6-tribromo-3-chloro-1-methoxybenzene",1,4.699480865459333,4.699480865459333,4.699480865459333,4.699480865459333,0.0
"2',4',5',7'-tetrabromo-3,4,5,6-tetrachlorofluorescein",0,0.0,0.0,0.0,0.0,0.0
bromochloroacetonitrile,0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethyl-3,3',4-tribromo-4,5,5'-trichloro-2,2'-bipyrrole",0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethyl- 3,4,4'-tribromo-3',5,5'-trichloro-2,2'-bipyrrole",0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethyl-3,3',4,4'-tetrabromo-5,5'-dichloro-2,2'-bipyrrole",0,0.0,0.0,0.0,0.0,0.0
"N,N'-dimethyl-3,3',4,4',5-pentabromo-5'-chloro-2,2'-bipyrrole",0,0.0,0.0,0.0,0.0,0.0
"1-bromo-3-chloro-5,5-dimethylhydantoin",0,0.0,0.0,0.0,0.0,0.0
3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea,1,-7.824046010856292,-7.824046010856292,-7.824046010856292,-7.824046010856292,0.0
"N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide",0,0.0,0.0,0.0,0.0,0.0
halacrinate,1,-5.480638923341991,-5.480638923341991,-5.480638923341991,-5.480638923341991,0.0
bromuconazole,0,0.0,0.0,0.0,0.0,0.0
"5,7-dibromo-2-(5-bromo-7-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one",0,0.0,0.0,0.0,0.0,0.0
chlorantraniliprole,0,0.0,0.0,0.0,0.0,0.0
tribromofluoromethane,0,0.0,0.0,0.0,0.0,0.0
bromochlorodifluoromethane,1,9.721165995742174,9.721165995742174,9.721165995742174,9.721165995742174,0.0
"1-bromo-1-chloro-2,2,2-trifluoroethane",8,7.487573774235079,8.180720954795024,7.827037953441185,7.829071178783043,0.6931471805599454
chlorfenapyr,0,0.0,0.0,0.0,0.0,0.0
fluazolate,1,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,-2.5649493574615367,0.0
iodomethane,17,5.654992310486769,6.571283042360924,6.216171482995556,6.2659013928097425,0.9162907318741551
diiodomethane,4,3.540459448995663,3.7722610630529876,3.615955512415629,3.575550768806933,0.23180161405732447
triiodomethane,1,5.683979847360021,5.683979847360021,5.683979847360021,5.683979847360021,0.0
iodoethane,5,6.319968614080018,6.571283042360924,6.4934230081099615,6.502290170873972,0.25131442828090567
1-iodopropane,4,6.725433722188183,6.917805614835639,6.840859928795942,6.860100189079974,0.19237189264745602
2-iodopropane,2,6.812445099177812,7.070274208479912,6.9413596538288616,6.9413596538288616,0.2578291093020999
1-iodobutane,1,7.402051600796917,7.402051600796917,7.402051600796917,7.402051600796917,0.0
2-iodobutane,0,0.0,0.0,0.0,0.0,0.0
1-iodopentane,1,7.5810998322459024,7.5810998322459024,7.5810998322459024,7.5810998322459024,0.0
1-iodohexane,1,7.957577403480815,7.957577403480815,7.957577403480815,7.957577403480815,0.0
1-iodoheptane,1,8.294049640102028,8.294049640102028,8.294049640102028,8.294049640102028,0.0
iodocyclohexane,0,0.0,0.0,0.0,0.0,0.0
3-iodo-1-propene,0,0.0,0.0,0.0,0.0,0.0
1-iodocyclohexene,0,0.0,0.0,0.0,0.0,0.0
iodobenzene,4,4.866534950122499,4.9062752787720125,4.879738052676715,4.873070990906175,0.039740328649513934
iodoacetic acid,0,0.0,0.0,0.0,0.0,0.0
2-iodophenol,1,-2.639057329615259,-2.639057329615259,-2.639057329615259,-2.639057329615259,0.0
3-iodophenol,0,0.0,0.0,0.0,0.0,0.0
4-iodophenol,0,0.0,0.0,0.0,0.0,0.0
erythrosine,0,0.0,0.0,0.0,0.0,0.0
"4-hydroxy-3,5-diiodo-benzonitrile",0,0.0,0.0,0.0,0.0,0.0
3-iodo-2-propynyl butylcarbamate,0,0.0,0.0,0.0,0.0,0.0
diatrizoic acid,0,0.0,0.0,0.0,0.0,0.0
iothalamic acid,0,0.0,0.0,0.0,0.0,0.0
benodanil,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
iopamidol,0,0.0,0.0,0.0,0.0,0.0
ioxaglic acid,0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3-heptafluoro-5-iodopentane",0,0.0,0.0,0.0,0.0,0.0
5-diethylamiloride,0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane",0,0.0,0.0,0.0,0.0,0.0
"1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iododecane",0,0.0,0.0,0.0,0.0,0.0
chloroiodomethane,1,4.733003557497976,4.733003557497976,4.733003557497976,4.733003557497976,0.0
methanethiol,9,5.278514739251857,6.214608098422191,5.694564823571978,5.572754212249797,0.936093359170334
ethanethiol,6,5.683979847360021,6.119297918617867,5.885970202196968,5.8781358618009785,0.4353180712578455
"1,2-ethanedithiol",0,0.0,0.0,0.0,0.0,0.0
thiirane,0,0.0,0.0,0.0,0.0,0.0
1-propanethiol,3,6.032286541628237,6.3771270279199666,6.147233370392147,6.032286541628237,0.34484048629172914
2-propanethiol,0,0.0,0.0,0.0,0.0,0.0
1-butanethiol,4,6.119297918617867,6.812445099177812,6.38833277682188,6.310794044745919,0.6931471805599454
2-butanethiol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-1-propanethiol,0,0.0,0.0,0.0,0.0,0.0
2-methyl-2-propanethiol,0,0.0,0.0,0.0,0.0,0.0
"1,4-dithiane",0,0.0,0.0,0.0,0.0,0.0
1-pentanethiol,0,0.0,0.0,0.0,0.0,0.0
1-hexanethiol,0,0.0,0.0,0.0,0.0,0.0
1-heptanethiol,0,0.0,0.0,0.0,0.0,0.0
1-octanethiol,0,0.0,0.0,0.0,0.0,0.0
{\it tert}-octanethiol,0,0.0,0.0,0.0,0.0,0.0
1-nonanethiol,0,0.0,0.0,0.0,0.0,0.0
1-decanethiol,0,0.0,0.0,0.0,0.0,0.0
1-dodecanethiol,0,0.0,0.0,0.0,0.0,0.0
dicyclohexyldisulfide,0,0.0,0.0,0.0,0.0,0.0
dimethyl sulfide,24,4.135166556742356,6.437751649736401,5.298070691797853,5.249572555909408,2.302585092994045
ethyl methyl sulfide,1,5.472670753692815,5.472670753692815,5.472670753692815,5.472670753692815,0.0
diethyl sulfide,4,5.1672891041416324,5.654992310486769,5.350957627576609,5.290774547839016,0.4877032063451363
dipropyl sulfide,2,5.654992310486769,5.713832810509703,5.684412560498236,5.684412560498236,0.05884050002293417
di-(2-propyl)-sulfide,2,5.7763531674910364,5.809142990314028,5.792748078902532,5.792748078902532,0.032789822822991255
allyl methyl sulfide,1,5.472670753692815,5.472670753692815,5.472670753692815,5.472670753692815,0.0
dimethyl disulfide,7,4.667045589706179,5.149897361429764,4.88546573553691,4.7914997641795845,0.48285177172358473
diethyl disulfide,4,5.051457288616511,5.599422459331958,5.269569540949811,5.213699207925387,0.5479651707154467
dipropyl disulfide,1,6.032286541628237,6.032286541628237,6.032286541628237,6.032286541628237,0.0
carbon disulfide,10,7.195437351433918,9.27221577569427,7.615845587563756,7.435962898966298,2.076778424260353
"2,3,4-trithiapentane",1,3.863232841258714,3.863232841258714,3.863232841258714,3.863232841258714,0.0
5-propyl-5-nonanethiol,0,0.0,0.0,0.0,0.0,0.0
allyl mercaptan,0,0.0,0.0,0.0,0.0,0.0
"3,3'-thiobis-1-propene",1,5.496768305271875,5.496768305271875,5.496768305271875,5.496768305271875,0.0
thiophene,4,5.403677882205863,5.683979847360021,5.484989801420431,5.426150738057921,0.28030196515415806
2-methylthiophene,2,5.496768305271875,5.496768305271875,5.496768305271875,5.496768305271875,0.0
3-methylthiophene,0,0.0,0.0,0.0,0.0,0.0
propyl allyl disulfide,0,0.0,0.0,0.0,0.0,0.0
benzenethiol,2,3.506557897319982,3.506557897319982,3.506557897319982,3.506557897319982,0.0
methyl phenyl sulfide,0,0.0,0.0,0.0,0.0,0.0
2-methylbenzenethiol,0,0.0,0.0,0.0,0.0,0.0
3-methylbenzenethiol,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzenethiol,0,0.0,0.0,0.0,0.0,0.0
benzenemethanethiol,0,0.0,0.0,0.0,0.0,0.0
benzo[$b$]thiophene,1,3.324236340526027,3.324236340526027,3.324236340526027,3.324236340526027,0.0
dibenzothiophene,0,0.0,0.0,0.0,0.0,0.0
benzyl sulfide,0,0.0,0.0,0.0,0.0,0.0
carbon oxide sulfide,14,7.986564940354067,8.804875263868018,8.490281533912876,8.492798109331522,0.818310323513951
methanesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
"sulfuric acid, dimethyl ester",0,0.0,0.0,0.0,0.0,0.0
dimethylsulfoxide,5,-9.20029003612268,-2.639057329615259,-6.492066476866245,-6.887552571664617,6.561232706507422
dimethylsulfone,0,0.0,0.0,0.0,0.0,0.0
mercaptoacetic acid,0,0.0,0.0,0.0,0.0,0.0
2-mercaptoethanol,0,0.0,0.0,0.0,0.0,0.0
"methanesulfonic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"mercaptoacetic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
"methanesulfonic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
divinyl sulfoxide,0,0.0,0.0,0.0,0.0,0.0
divinyl sulphone,0,0.0,0.0,0.0,0.0,0.0
"2,5-dihydrothiophene sulfone",0,0.0,0.0,0.0,0.0,0.0
thiodiacetic acid,0,0.0,0.0,0.0,0.0,0.0
"thiophene, tetrahydro-, 1,1-dioxide",0,0.0,0.0,0.0,0.0,0.0
2-(ethylthio)ethanol,0,0.0,0.0,0.0,0.0,0.0
thiodiglycol,0,0.0,0.0,0.0,0.0,0.0
"methanesulfonic acid, 1-methylethyl ester",0,0.0,0.0,0.0,0.0,0.0
4-hydroxybenzenesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
benzenesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
dimethipin,1,-12.971540487669746,-12.971540487669746,-12.971540487669746,-12.971540487669746,0.0
4-methylbenzenesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
phenylmethanesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
"4,4'-sulfonyldiphenol",0,0.0,0.0,0.0,0.0,0.0
lauryl sulfate,0,0.0,0.0,0.0,0.0,0.0
ethofumesate,0,0.0,0.0,0.0,0.0,0.0
"1,1'-sulfonylbis(4-(1-methylethyl)-benzene",0,0.0,0.0,0.0,0.0,0.0
propargite,0,0.0,0.0,0.0,0.0,0.0
kadethrin,0,0.0,0.0,0.0,0.0,0.0
spironolactone,0,0.0,0.0,0.0,0.0,0.0
"2,2'-thiobis(4-(1,1,3,3-tetramethylbutyl)phenol)",0,0.0,0.0,0.0,0.0,0.0
"propanoic acid, 3,3'-thiobis-, didodecyl ester",0,0.0,0.0,0.0,0.0,0.0
"dioctadecyl 3,3'-thiodipropionate",0,0.0,0.0,0.0,0.0,0.0
methyl isothiocyanate,2,1.7719568419318752,1.83258146374831,1.8022691528400925,1.8022691528400925,0.0606246218164348
thiourea,0,0.0,0.0,0.0,0.0,0.0
hydrazinecarbothioamide,0,0.0,0.0,0.0,0.0,0.0
"thiocyanic acid, methyl ester",0,0.0,0.0,0.0,0.0,0.0
ethanethioamide,0,0.0,0.0,0.0,0.0,0.0
mercaptamine,0,0.0,0.0,0.0,0.0,0.0
"thiocyanic acid, ethyl ester",0,0.0,0.0,0.0,0.0,0.0
2-imidazolidinethione,0,0.0,0.0,0.0,0.0,0.0
ethylthiourea,0,0.0,0.0,0.0,0.0,0.0
allyl isothiocyanate,0,0.0,0.0,0.0,0.0,0.0
dazomet,1,-10.51867319162636,-10.51867319162636,-10.51867319162636,-10.51867319162636,0.0
"N,N'-diethylthiourea",0,0.0,0.0,0.0,0.0,0.0
tetramethylthiourea,0,0.0,0.0,0.0,0.0,0.0
thiram,1,-3.4011973816621555,-3.4011973816621555,-3.4011973816621555,-3.4011973816621555,0.0
bis(dimethylthiocarbamyl) sulfide,0,0.0,0.0,0.0,0.0,0.0
benzothiazole,0,0.0,0.0,0.0,0.0,0.0
2-mercaptobenzothiazole,0,0.0,0.0,0.0,0.0,0.0
2-benzothiazolamine,0,0.0,0.0,0.0,0.0,0.0
phenylthiourea,0,0.0,0.0,0.0,0.0,0.0
aziprotryn,1,-6.8243736700430855,-6.8243736700430855,-6.8243736700430855,-6.8243736700430855,0.0
simetryn,0,0.0,0.0,0.0,0.0,0.0
desmetryn,2,-17.72753356339242,-9.95227771670556,-13.83990564004899,-13.83990564004899,7.775255846686861
thioquinox,0,0.0,0.0,0.0,0.0,0.0
"thiocyanic acid, (2-benzothiazolylthio)methyl ester",0,0.0,0.0,0.0,0.0,0.0
ametryn,1,-8.318742252692399,-8.318742252692399,-8.318742252692399,-8.318742252692399,0.0
cimetidine,0,0.0,0.0,0.0,0.0,0.0
prometryn,2,-14.880221294956703,-6.633318433280377,-10.75676986411854,-10.75676986411854,8.246902861676325
terbutryn,2,-13.997832114758229,-6.76849321164863,-10.383162663203429,-10.383162663203429,7.229338903109599
disulfiram,0,0.0,0.0,0.0,0.0,0.0
1-naphthalenylthiourea,0,0.0,0.0,0.0,0.0,0.0
"4,4'-thiobisbenzenamine",0,0.0,0.0,0.0,0.0,0.0
dipropetryn,1,-6.476972362889683,-6.476972362889683,-6.476972362889683,-6.476972362889683,0.0
dimethametryn,0,0.0,0.0,0.0,0.0,0.0
phenothiazine,0,0.0,0.0,0.0,0.0,0.0
"2,2'-dithiobisbenzothiazole",0,0.0,0.0,0.0,0.0,0.0
methapyrilene,0,0.0,0.0,0.0,0.0,0.0
olanzapine,0,0.0,0.0,0.0,0.0,0.0
"N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide",0,0.0,0.0,0.0,0.0,0.0
taurine,0,0.0,0.0,0.0,0.0,0.0
2-amino-5-nitrothiazole,0,0.0,0.0,0.0,0.0,0.0
N-(aminothioxomethyl)acetamide,0,0.0,0.0,0.0,0.0,0.0
acesulfame,0,0.0,0.0,0.0,0.0,0.0
methomyl,0,0.0,0.0,0.0,0.0,0.0
4-aminobenzenesulfonic acid,0,0.0,0.0,0.0,0.0,0.0
sulfanilamide,0,0.0,0.0,0.0,0.0,0.0
nithiazide,0,0.0,0.0,0.0,0.0,0.0
2-methylbenzenesulfonamide,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzenesulfonamide,0,0.0,0.0,0.0,0.0,0.0
ethidimuron,1,-18.75715298057358,-18.75715298057358,-18.75715298057358,-18.75715298057358,0.0
oxamyl,0,0.0,0.0,0.0,0.0,0.0
aldicarb,1,-0.6418538861723948,-0.6418538861723948,-0.6418538861723948,-0.6418538861723948,0.0
aldicarb sulfone,1,-8.216088098632316,-8.216088098632316,-8.216088098632316,-8.216088098632316,0.0
butocarboxim,1,-9.740968623038354,-9.740968623038354,-9.740968623038354,-9.740968623038354,0.0
butoxycarboxim,0,0.0,0.0,0.0,0.0,0.0
saccharin,0,0.0,0.0,0.0,0.0,0.0
acibenzolar-S-methyl,0,0.0,0.0,0.0,0.0,0.0
quinomethionate,1,-5.075173815233827,-5.075173815233827,-5.075173815233827,-5.075173815233827,0.0
nifurthiazole,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzenesulfonyl isocyanate,0,0.0,0.0,0.0,0.0,0.0
tinidazole,0,0.0,0.0,0.0,0.0,0.0
metribuzin,0,0.0,0.0,0.0,0.0,0.0
tricyclazole,0,0.0,0.0,0.0,0.0,0.0
thidiazuron,0,0.0,0.0,0.0,0.0,0.0
sulfathiazole,0,0.0,0.0,0.0,0.0,0.0
sulfamethizole,0,0.0,0.0,0.0,0.0,0.0
ethiozin,1,-5.298317366548036,-5.298317366548036,-5.298317366548036,-5.298317366548036,0.0
molinate,4,-2.0412203288596382,-0.5306282510621704,-1.3471135468945912,-1.4083028038282779,1.510592077797468
S-ethyl dipropylthiocarbamate,2,0.5798184952529422,3.270169119255751,1.9249938072543467,1.9249938072543467,2.690350624002809
thiabendazole,0,0.0,0.0,0.0,0.0,0.0
"benzo[$b$]thiophene-4-ol, methylcarbamate",0,0.0,0.0,0.0,0.0,0.0
sulfamethoxazole,0,0.0,0.0,0.0,0.0,0.0
bentazone,0,0.0,0.0,0.0,0.0,0.0
buthidazole,1,-15.38412647587812,-15.38412647587812,-15.38412647587812,-15.38412647587812,0.0
thiodicarb,0,0.0,0.0,0.0,0.0,0.0
pebulate,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
vernolate,0,0.0,0.0,0.0,0.0,0.0
sulfisoxazole,0,0.0,0.0,0.0,0.0,0.0
ethiofencarb,0,0.0,0.0,0.0,0.0,0.0
methiocarb,1,-9.035986984831405,-9.035986984831405,-9.035986984831405,-9.035986984831405,0.0
cycloate,0,0.0,0.0,0.0,0.0,0.0
methoprotryn,1,-10.341742483467284,-10.341742483467284,-10.341742483467284,-10.341742483467284,0.0
butylate,0,0.0,0.0,0.0,0.0,0.0
carboxin,0,0.0,0.0,0.0,0.0,0.0
oxycarboxin,0,0.0,0.0,0.0,0.0,0.0
thifensulfuron-methyl,0,0.0,0.0,0.0,0.0,0.0
sulfamethazine,0,0.0,0.0,0.0,0.0,0.0
thiophanate-methyl,0,0.0,0.0,0.0,0.0,0.0
"4,4'-oxydi(benzenesulphonohydrazide)",0,0.0,0.0,0.0,0.0,0.0
albendazole,0,0.0,0.0,0.0,0.0,0.0
oryzalin,0,0.0,0.0,0.0,0.0,0.0
STK366145,0,0.0,0.0,0.0,0.0,0.0
isomethiozin,1,-6.672032945461067,-6.672032945461067,-6.672032945461067,-6.672032945461067,0.0
isobornyl thiocyanoacetate,0,0.0,0.0,0.0,0.0,0.0
nitralin,0,0.0,0.0,0.0,0.0,0.0
bupirimate,0,0.0,0.0,0.0,0.0,0.0
timolol,0,0.0,0.0,0.0,0.0,0.0
dithianone,0,0.0,0.0,0.0,0.0,0.0
N-(cyclohexylthio)phthalimide,0,0.0,0.0,0.0,0.0,0.0
metsulfuron-methyl,0,0.0,0.0,0.0,0.0,0.0
rimsulfuron,0,0.0,0.0,0.0,0.0,0.0
thiophanate,0,0.0,0.0,0.0,0.0,0.0
sumatriptan,0,0.0,0.0,0.0,0.0,0.0
sulfometuron methyl,1,-29.735155270198756,-29.735155270198756,-29.735155270198756,-29.735155270198756,0.0
tribenuron-methyl,1,-18.390221536467656,-18.390221536467656,-18.390221536467656,-18.390221536467656,0.0
propoxycarbazone,0,0.0,0.0,0.0,0.0,0.0
valdecoxib,0,0.0,0.0,0.0,0.0,0.0
topramezone,0,0.0,0.0,0.0,0.0,0.0
sulfosulfuron,0,0.0,0.0,0.0,0.0,0.0
orthosulfamuron,0,0.0,0.0,0.0,0.0,0.0
buprofezin,0,0.0,0.0,0.0,0.0,0.0
bensulfuron methyl,1,-24.97176107899577,-24.97176107899577,-24.97176107899577,-24.97176107899577,0.0
esomeprazole,0,0.0,0.0,0.0,0.0,0.0
foramsulfuron,0,0.0,0.0,0.0,0.0,0.0
sethoxydim,0,0.0,0.0,0.0,0.0,0.0
mesosulfuron-methyl,0,0.0,0.0,0.0,0.0,0.0
rosiglitazone,0,0.0,0.0,0.0,0.0,0.0
rabeprazole,0,0.0,0.0,0.0,0.0,0.0
furathiocarb,0,0.0,0.0,0.0,0.0,0.0
lincomycin,0,0.0,0.0,0.0,0.0,0.0
pioglitazone,0,0.0,0.0,0.0,0.0,0.0
tamsulosin,0,0.0,0.0,0.0,0.0,0.0
sufentanil,0,0.0,0.0,0.0,0.0,0.0
sildenafil,0,0.0,0.0,0.0,0.0,0.0
tirofiban,0,0.0,0.0,0.0,0.0,0.0
vardenafil,0,0.0,0.0,0.0,0.0,0.0
taurocholic acid,0,0.0,0.0,0.0,0.0,0.0
dalfopristin,0,0.0,0.0,0.0,0.0,0.0
C.I. acid green 3,0,0.0,0.0,0.0,0.0,0.0
tinopal,0,0.0,0.0,0.0,0.0,0.0
quinupristin,0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,4-pentafluorobutane-1-thiol",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanethiol",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-pentadecafluoro-1-decanethiol",0,0.0,0.0,0.0,0.0,0.0
"3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane",0,0.0,0.0,0.0,0.0,0.0
perfluorobutane sulfonic acid,0,0.0,0.0,0.0,0.0,0.0
perfluorohexane sulfonic acid,0,0.0,0.0,0.0,0.0,0.0
perfluorooctane sulfonic acid,0,0.0,0.0,0.0,0.0,0.0
heptadecafluorooctanesulphonyl fluoride,0,0.0,0.0,0.0,0.0,0.0
fluticasone,0,0.0,0.0,0.0,0.0,0.0
flubenzimine,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
thiazafluron,1,-10.373491181781864,-10.373491181781864,-10.373491181781864,-10.373491181781864,0.0
undecafluoro-N-methyl-1-pentanesulfonamide,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide",0,0.0,0.0,0.0,0.0,0.0
tridecafluoro-N-methyl-1-hexanesulfonamide,0,0.0,0.0,0.0,0.0,0.0
perfluorooctane sulfonamide,0,0.0,0.0,0.0,0.0,0.0
emtricitabine,0,0.0,0.0,0.0,0.0,0.0
"N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptane-1-sulphonamide",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulphonamide",0,0.0,0.0,0.0,0.0,0.0
N-(3-(dimethylamino)propyl)-nonafluoro-1-butanesulfonamide,0,0.0,0.0,0.0,0.0,0.0
heptadecafluoro-N-methyloctanesulphonamide,0,0.0,0.0,0.0,0.0,0.0
"N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-1-pentanesulfonamide",0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-hexanesulfonamide",0,0.0,0.0,0.0,0.0,0.0
"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide",0,0.0,0.0,0.0,0.0,0.0
2-{methyl[(nonafluorobutyl)sulfonyl]\+amino}ethyl acrylate,0,0.0,0.0,0.0,0.0,0.0
N-ethyl perfluorooctane sulfonamide,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulphonamide",0,0.0,0.0,0.0,0.0,0.0
N-methyl perfluorooctane sulfonamidoethanol,0,0.0,0.0,0.0,0.0,0.0
"N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide",0,0.0,0.0,0.0,0.0,0.0
mefluidide,0,0.0,0.0,0.0,0.0,0.0
"N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-hexanesulfonamide",0,0.0,0.0,0.0,0.0,0.0
"2-(methyl-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino)ethyl prop-2-enoate",0,0.0,0.0,0.0,0.0,0.0
2-(methyl((nonafluorobutyl)sulphonyl)\+amino)ethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
N-(3-(dimethylamino)propyl)\+pentadecafluoro-1-heptanesulfonamide,0,0.0,0.0,0.0,0.0,0.0
acrylic acid 2-[methyl[(tridecafluorohexyl)sulfonyl]\+amino]ethyl ester,0,0.0,0.0,0.0,0.0,0.0
N-ethyl perfluorooctane sulfonamidoethanol,0,0.0,0.0,0.0,0.0,0.0
florasulam,0,0.0,0.0,0.0,0.0,0.0
2-(methyl((pentadecafluoroheptyl)\+sulphonyl)amino)ethyl acrylate,0,0.0,0.0,0.0,0.0,0.0
flazasulfuron,0,0.0,0.0,0.0,0.0,0.0
N-methyl perfluorooctane sulfonamidoethylacrylate,0,0.0,0.0,0.0,0.0,0.0
pyrasulfotole,0,0.0,0.0,0.0,0.0,0.0
flufenacet,0,0.0,0.0,0.0,0.0,0.0
"N-butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-1-octanesulfonamide",0,0.0,0.0,0.0,0.0,0.0
ethyl N-ethyl-N-[(heptadecafluorooctyl)\+sulphonyl]glycinate,0,0.0,0.0,0.0,0.0,0.0
2-(((heptadecafluorooctyl)sulfonyl)\+methylamino)ethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
isoxaflutole,1,-10.87804719253426,-10.87804719253426,-10.87804719253426,-10.87804719253426,0.0
primisulfuron-methyl,0,0.0,0.0,0.0,0.0,0.0
penoxsulam,0,0.0,0.0,0.0,0.0,0.0
pantoprazole,0,0.0,0.0,0.0,0.0,0.0
2-(N-ethylperfluorooctanesulfamido)ethyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
thiazopyr,0,0.0,0.0,0.0,0.0,0.0
celecoxib,0,0.0,0.0,0.0,0.0,0.0
2-{butyl[(heptadecafluorooctyl)sulfonyl]\+amino}ethyl acrylate,0,0.0,0.0,0.0,0.0,0.0
thidiazimin,1,-19.67344371244773,-19.67344371244773,-19.67344371244773,-19.67344371244773,0.0
benthiavalicarb isopropyl,1,-4.700480365792417,-4.700480365792417,-4.700480365792417,-4.700480365792417,0.0
rosuvastatin,0,0.0,0.0,0.0,0.0,0.0
trichloromethanesulfenyl chloride,0,0.0,0.0,0.0,0.0,0.0
"1,1,2,2-tetrachloroethanesulfenyl chloride",0,0.0,0.0,0.0,0.0,0.0
2-chloroethyl ethyl sulfide,0,0.0,0.0,0.0,0.0,0.0
"2,2'-dichlorodiethylsulfide",1,0.8915981192837835,0.8915981192837835,0.8915981192837835,0.8915981192837835,0.0
pentachlorobenzenethiol,0,0.0,0.0,0.0,0.0,0.0
tetrasul,1,0.07257069283483517,0.07257069283483517,0.07257069283483517,0.07257069283483517,0.0
methanesulfonyl chloride,0,0.0,0.0,0.0,0.0,0.0
bis(trichloromethyl)sulfone,0,0.0,0.0,0.0,0.0,0.0
benzenesulfonyl chloride,0,0.0,0.0,0.0,0.0,0.0
4-methylbenzenesulfonyl chloride,0,0.0,0.0,0.0,0.0,0.0
endosulfan,0,0.0,0.0,0.0,0.0,0.0
$\alpha$-endosulfan,9,-0.3364722366212129,2.0402208285265546,0.23066633053088126,-0.3364722366212129,2.3766930651477676
$\beta$-endosulfan,5,-3.2188758248682006,-0.0953101798043249,-2.0531916338142873,-2.9444389791664407,3.123565645063876
endosulfan sulfate,0,0.0,0.0,0.0,0.0,0.0
mcpa-thioethyl,0,0.0,0.0,0.0,0.0,0.0
"1,1'-sulfonylbis(4-chlorobenzene)",0,0.0,0.0,0.0,0.0,0.0
"1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]benzene",0,0.0,0.0,0.0,0.0,0.0
ovex,0,0.0,0.0,0.0,0.0,0.0
sulphenone,0,0.0,0.0,0.0,0.0,0.0
aramite,0,0.0,0.0,0.0,0.0,0.0
6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[$b$]thien-2(3H)-ylidene)-4-methylbenzo[$b$]thiophene-3(2H)-one,0,0.0,0.0,0.0,0.0,0.0
"5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole",0,0.0,0.0,0.0,0.0,0.0
"2,4-dichloro-6-(methylthio)-1,3,5-triazine",0,0.0,0.0,0.0,0.0,0.0
chlorthiamid,1,-10.46310334047155,-10.46310334047155,-10.46310334047155,-10.46310334047155,0.0
(2-chlorophenyl)thiourea,0,0.0,0.0,0.0,0.0,0.0
"2-chloroallyl-N,N-diethyldithiocarbamate",0,0.0,0.0,0.0,0.0,0.0
thiacloprid,0,0.0,0.0,0.0,0.0,0.0
chloromethiuron,1,-12.206072645530174,-12.206072645530174,-12.206072645530174,-12.206072645530174,0.0
etridiazole,0,0.0,0.0,0.0,0.0,0.0
4-chloro-3-nitrobenzenesulfonamide,0,0.0,0.0,0.0,0.0,0.0
clothianidin,1,-24.249626361562573,-24.249626361562573,-24.249626361562573,-24.249626361562573,0.0
chlobenthiazone,1,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,-0.2623642644674911,0.0
prothiocarb hydrochloride,1,-21.639556568820566,-21.639556568820566,-21.639556568820566,-21.639556568820566,0.0
thicyofen,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
thiamethoxam,0,0.0,0.0,0.0,0.0,0.0
"4-amino-3,5-dichloro-N-ethyl-2-methylbenzenesulfonamide",0,0.0,0.0,0.0,0.0,0.0
dichlofluanid,0,0.0,0.0,0.0,0.0,0.0
captan,0,0.0,0.0,0.0,0.0,0.0
folpet,0,0.0,0.0,0.0,0.0,0.0
captafol,0,0.0,0.0,0.0,0.0,0.0
diallate,1,-0.9555114450274365,-0.9555114450274365,-0.9555114450274365,-0.9555114450274365,0.0
triallate,0,0.0,0.0,0.0,0.0,0.0
tolylfluanid,0,0.0,0.0,0.0,0.0,0.0
S-(4-chlorobenzyl) diethylthiocarbamate,3,-3.6109179126442243,-1.589235205116581,-2.714864032309082,-2.9444389791664407,2.0216827075276433
furosemide,0,0.0,0.0,0.0,0.0,0.0
chlorsulfuron,1,-11.918390573078392,-11.918390573078392,-11.918390573078392,-11.918390573078392,0.0
phosalone,0,0.0,0.0,0.0,0.0,0.0
dimethenamid,0,0.0,0.0,0.0,0.0,0.0
dimethenamid-p,1,-7.649692623711514,-7.649692623711514,-7.649692623711514,-7.649692623711514,0.0
cyazofamid,0,0.0,0.0,0.0,0.0,0.0
prothioconazole,0,0.0,0.0,0.0,0.0,0.0
chlorimuron-ethyl,0,0.0,0.0,0.0,0.0,0.0
clopidogrel,0,0.0,0.0,0.0,0.0,0.0
hexythiazox,0,0.0,0.0,0.0,0.0,0.0
clethodim,0,0.0,0.0,0.0,0.0,0.0
clindamycin,0,0.0,0.0,0.0,0.0,0.0
vismodegib,0,0.0,0.0,0.0,0.0,0.0
pyridaben,0,0.0,0.0,0.0,0.0,0.0
tembotrione,0,0.0,0.0,0.0,0.0,0.0
fluothiuron,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
sulfentrazone,0,0.0,0.0,0.0,0.0,0.0
flurazole,1,-3.6888794541139363,-3.6888794541139363,-3.6888794541139363,-3.6888794541139363,0.0
fipronil,0,0.0,0.0,0.0,0.0,0.0
fluthiacet-methyl,0,0.0,0.0,0.0,0.0,0.0
vemurafenib,0,0.0,0.0,0.0,0.0,0.0
tetrabromobisphenol S,0,0.0,0.0,0.0,0.0,0.0
"1,3-dibromo-5-[3,5-dibromo-4-(2,3-dibromopropoxy)benzenesulfonyl]-2-(2,3-dibromopropoxy)benzene",0,0.0,0.0,0.0,0.0,0.0
bromphenol blue,0,0.0,0.0,0.0,0.0,0.0
bromcresol green,0,0.0,0.0,0.0,0.0,0.0
bromocresol purple,0,0.0,0.0,0.0,0.0,0.0
difethialone,0,0.0,0.0,0.0,0.0,0.0
amisulbrom,1,-3.8501476017100584,-3.8501476017100584,-3.8501476017100584,-3.8501476017100584,0.0
amical 48,0,0.0,0.0,0.0,0.0,0.0
flubendiamide,0,0.0,0.0,0.0,0.0,0.0
9-icosyl-9-phosphabicyclo[4.2.1]nonane,0,0.0,0.0,0.0,0.0,0.0
triphenylphosphine,0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, trimethyl ester",1,-7.24422751560335,-7.24422751560335,-7.24422751560335,-7.24422751560335,0.0
trimethyl phosphite,0,0.0,0.0,0.0,0.0,0.0
dimethyl methylphosphonate,0,0.0,0.0,0.0,0.0,0.0
diethyl hydrogen phosphite,0,0.0,0.0,0.0,0.0,0.0
triethylphosphate,2,-5.598421958998375,-4.941642422609305,-5.27003219080384,-5.27003219080384,0.6567795363890703
mevinphos,0,0.0,0.0,0.0,0.0,0.0
diisopropyl methanephosphonate,0,0.0,0.0,0.0,0.0,0.0
dibutyl hydrogen phosphite,0,0.0,0.0,0.0,0.0,0.0
dibutyl phosphate,0,0.0,0.0,0.0,0.0,0.0
tetraethyl pyrophosphate,0,0.0,0.0,0.0,0.0,0.0
tripropyl phosphate,1,-2.70805020110221,-2.70805020110221,-2.70805020110221,-2.70805020110221,0.0
triallyl phosphate,0,0.0,0.0,0.0,0.0,0.0
tributylphosphate,0,0.0,0.0,0.0,0.0,0.0
hexaethyl tetraphosphate,0,0.0,0.0,0.0,0.0,0.0
crotoxyphos,1,-7.438383530044308,-7.438383530044308,-7.438383530044308,-7.438383530044308,0.0
"phosphoric acid, dibutyl phenyl ester",0,0.0,0.0,0.0,0.0,0.0
bis(2-ethylhexyl) hydrogen phosphite,0,0.0,0.0,0.0,0.0,0.0
bis(2-ethylhexyl)hydrogen phosphate,0,0.0,0.0,0.0,0.0,0.0
triphenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
tris(2-butoxyethyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
$p$-cresyl diphenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
triphenylphosphine oxide,0,0.0,0.0,0.0,0.0,0.0
"phosphorous acid, triphenyl ester",0,0.0,0.0,0.0,0.0,0.0
trihexylphosphine oxide,0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, octyl diphenyl ester",0,0.0,0.0,0.0,0.0,0.0
octyldihexylphosphine oxide,0,0.0,0.0,0.0,0.0,0.0
tris(methylphenyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, (1-methylethyl)phenyl diphenyl ester",0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, tris(2-methylphenyl) ester",0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, tris(3-methylphenyl) ester",0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, tris(4-methylphenyl) ester",0,0.0,0.0,0.0,0.0,0.0
(4-{\it tert}-butylphenyl) diphenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
isodecyl diphenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
dioctylhexylphosphine oxide,0,0.0,0.0,0.0,0.0,0.0
"tris(2,4-dimethylphenyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
"tris(2,5-dimethylphenyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
"tris(2,6-dimethylphenyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
"tris(3,4-dimethylphenyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
"tris(3,5-dimethylphenyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
tris(4-isopropylphenyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
trioctylphosphine oxide,0,0.0,0.0,0.0,0.0,0.0
bis(2-ethylhexyl)-2-ethylhexyl phosphonate,0,0.0,0.0,0.0,0.0,0.0
didodecyl hydrogen phosphate,0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, tris(2-ethylhexyl) ester",0,0.0,0.0,0.0,0.0,0.0
diisodecylphenyl phosphite,0,0.0,0.0,0.0,0.0,0.0
fyrolflex rdp,0,0.0,0.0,0.0,0.0,0.0
tris(4-{\it tert}-butylphenyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
"tris-(2,4-di-{\it tert}-butylphenyl) phosphite",0,0.0,0.0,0.0,0.0,0.0
glyphosate,0,0.0,0.0,0.0,0.0,0.0
krenite,0,0.0,0.0,0.0,0.0,0.0
tabun,1,-4.174387269895637,-4.174387269895637,-4.174387269895637,-4.174387269895637,0.0
glufosinate-ammonium,1,-19.209138104316636,-19.209138104316636,-19.209138104316636,-19.209138104316636,0.0
monocrotophos,0,0.0,0.0,0.0,0.0,0.0
dicrotophos,0,0.0,0.0,0.0,0.0,0.0
octamethyldiphosphoramide,0,0.0,0.0,0.0,0.0,0.0
fyrol 6,0,0.0,0.0,0.0,0.0,0.0
diethyl 4-nitrophenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
dimethyl 4-nitrophenyl phosphate,0,0.0,0.0,0.0,0.0,0.0
buminafos,1,-1.6094379124341003,-1.6094379124341003,-1.6094379124341003,-1.6094379124341003,0.0
methylphosphonyldifluoride,0,0.0,0.0,0.0,0.0,0.0
sarin,1,-2.890371757896165,-2.890371757896165,-2.890371757896165,-2.890371757896165,0.0
dimefox,0,0.0,0.0,0.0,0.0,0.0
isoflurophate,0,0.0,0.0,0.0,0.0,0.0
cyclohexyl methylphosphonofluoridate,0,0.0,0.0,0.0,0.0,0.0
soman,1,-0.7884573603642702,-0.7884573603642702,-0.7884573603642702,-0.7884573603642702,0.0
mipafox,0,0.0,0.0,0.0,0.0,0.0
phenylphosphonous dichloride,0,0.0,0.0,0.0,0.0,0.0
chlorphonium chloride,1,-17.14771506813948,-17.14771506813948,-17.14771506813948,-17.14771506813948,0.0
triclofos,0,0.0,0.0,0.0,0.0,0.0
(2-chloroethyl)-phosphonic acid,0,0.0,0.0,0.0,0.0,0.0
"1-hydroxy-2,2,2-trichloroethylphosphonic acid, dimethyl ester",1,-6.697034247666484,-6.697034247666484,-6.697034247666484,-6.697034247666484,0.0
"dimethyl-2,2-dichlorovinyl phosphate",2,-3.6635616461296463,2.513306124309698,-0.5751277609099741,-0.5751277609099741,6.176867770439344
tris(2-chloroethyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
cyclophosphamide,0,0.0,0.0,0.0,0.0,0.0
ifosfamide,0,0.0,0.0,0.0,0.0,0.0
butonate,0,0.0,0.0,0.0,0.0,0.0
"phosphoric acid, 7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl ester",1,-8.366370301681654,-8.366370301681654,-8.366370301681654,-8.366370301681654,0.0
"tris(2,3-dichloropropyl) phosphate",0,0.0,0.0,0.0,0.0,0.0
"tris(1,3-dichloroisopropyl)phosphate",0,0.0,0.0,0.0,0.0,0.0
tris(2-chloropropyl) phosphate,0,0.0,0.0,0.0,0.0,0.0
tri-(2-chloroisopropyl)phosphate,0,0.0,0.0,0.0,0.0,0.0
bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate,0,0.0,0.0,0.0,0.0,0.0
tetrachlorvinphos,1,-8.594154232552366,-8.594154232552366,-8.594154232552366,-8.594154232552366,0.0
chlorfenvinphos,0,0.0,0.0,0.0,0.0,0.0
crufomate,0,0.0,0.0,0.0,0.0,0.0
phosdiphen,1,3.649658740960655,3.649658740960655,3.649658740960655,3.649658740960655,0.0
phosphamidon,0,0.0,0.0,0.0,0.0,0.0
"tris(2,3-dibromo-1-propyl) phosphate",0,0.0,0.0,0.0,0.0,0.0
naled,0,0.0,0.0,0.0,0.0,0.0
"2-bromo-1,1-dimethylethyl 2-bromoethyl 2-chloroethyl phosphate",0,0.0,0.0,0.0,0.0,0.0
leptophos,1,-1.308332819650179,-1.308332819650179,-1.308332819650179,-1.308332819650179,0.0
tributyl phosphorotrithioite,0,0.0,0.0,0.0,0.0,0.0
"bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl) bis(2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl)thiodiphosphonate",0,0.0,0.0,0.0,0.0,0.0
thiometon,0,0.0,0.0,0.0,0.0,0.0
demeton-S-methyl sulfone,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
oxydemeton-methyl,0,0.0,0.0,0.0,0.0,0.0
demeton-S-methyl,0,0.0,0.0,0.0,0.0,0.0
methacrifos,1,-2.3025850929940455,-2.3025850929940455,-2.3025850929940455,-2.3025850929940455,0.0
phorate,0,0.0,0.0,0.0,0.0,0.0
salithion,1,0.7550225842780328,0.7550225842780328,0.7550225842780328,0.7550225842780328,0.0
acetoxon,0,0.0,0.0,0.0,0.0,0.0
demeton-O,1,-1.8082887711792655,-1.8082887711792655,-1.8082887711792655,-1.8082887711792655,0.0
demeton-S,0,0.0,0.0,0.0,0.0,0.0
sulfotep,0,0.0,0.0,0.0,0.0,0.0
tetrakis(hydroxymethyl) phosphonium sulfate,0,0.0,0.0,0.0,0.0,0.0
ethoprophos,0,0.0,0.0,0.0,0.0,0.0
disulfoton,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
endothion,0,0.0,0.0,0.0,0.0,0.0
terbufos,0,0.0,0.0,0.0,0.0,0.0
ethion,0,0.0,0.0,0.0,0.0,0.0
fonofos,0,0.0,0.0,0.0,0.0,0.0
fenthion,0,0.0,0.0,0.0,0.0,0.0
malathion,2,-7.600902459542082,-6.507277712385012,-7.054090085963547,-7.054090085963547,1.0936247471570706
malaoxon,0,0.0,0.0,0.0,0.0,0.0
cadusafos,0,0.0,0.0,0.0,0.0,0.0
fensulfothion,0,0.0,0.0,0.0,0.0,0.0
phenthoate,0,0.0,0.0,0.0,0.0,0.0
sulprofos,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
"S,S,S-tributyl phosphorotrithioate",1,-3.5263605246161616,-3.5263605246161616,-3.5263605246161616,-3.5263605246161616,0.0
iprobenphos,1,-5.560681631015528,-5.560681631015528,-5.560681631015528,-5.560681631015528,0.0
propaphos,1,-8.131530710604252,-8.131530710604252,-8.131530710604252,-8.131530710604252,0.0
edifenphos,1,-8.517193191416238,-8.517193191416238,-8.517193191416238,-8.517193191416238,0.0
systox,0,0.0,0.0,0.0,0.0,0.0
temefos,0,0.0,0.0,0.0,0.0,0.0
methamidophos,0,0.0,0.0,0.0,0.0,0.0
acephate,0,0.0,0.0,0.0,0.0,0.0
dimethoate,0,0.0,0.0,0.0,0.0,0.0
omethoate,0,0.0,0.0,0.0,0.0,0.0
methidathion,0,0.0,0.0,0.0,0.0,0.0
fosthietan,1,-12.388394202324129,-12.388394202324129,-12.388394202324129,-12.388394202324129,0.0
formothion,0,0.0,0.0,0.0,0.0,0.0
menazon,0,0.0,0.0,0.0,0.0,0.0
ethoate-methyl,0,0.0,0.0,0.0,0.0,0.0
glyphosate-trimesium,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
methylparathion,4,-5.560681631015528,-3.912023005428146,-4.785749575453022,-4.835146832684208,1.6486586255873816
zinophos,1,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,-2.3978952727983707,0.0
vamidothion,0,0.0,0.0,0.0,0.0,0.0
cyanophos,0,0.0,0.0,0.0,0.0,0.0
fenitrothion,2,-4.418840607796598,-2.3978952727983707,-3.4083679402974845,-3.4083679402974845,2.0209453349982276
fosthiazate-1,1,-4.31748811353631,-4.31748811353631,-4.31748811353631,-4.31748811353631,0.0
prothoate,0,0.0,0.0,0.0,0.0,0.0
azinphos-methyl,0,0.0,0.0,0.0,0.0,0.0
parathion,2,-4.787491742782046,-3.4965075614664802,-4.141999652124263,-4.141999652124263,1.2909841813155656
etrimfos,0,0.0,0.0,0.0,0.0,0.0
propetamphos,0,0.0,0.0,0.0,0.0,0.0
mecarbam,0,0.0,0.0,0.0,0.0,0.0
phosmet,0,0.0,0.0,0.0,0.0,0.0
pirimiphos methyl,0,0.0,0.0,0.0,0.0,0.0
Agent VX,1,-7.090076835776092,-7.090076835776092,-7.090076835776092,-7.090076835776092,0.0
triazophos,0,0.0,0.0,0.0,0.0,0.0
azinphos-ethyl,0,0.0,0.0,0.0,0.0,0.0
diazinon,6,-4.5217885770490405,-2.3978952727983707,-3.7274215101267063,-4.129729097666204,2.12389330425067
isoxathion,0,0.0,0.0,0.0,0.0,0.0
fenamiphos,0,0.0,0.0,0.0,0.0,0.0
tebupirimfos,0,0.0,0.0,0.0,0.0,0.0
pirimiphos ethyl,0,0.0,0.0,0.0,0.0,0.0
bensulide,0,0.0,0.0,0.0,0.0,0.0
ethyl $p$-nitrophenyl benzenethiophosphonate,0,0.0,0.0,0.0,0.0,0.0
isofenphos,2,-5.480638923341991,-5.480638923341991,-5.480638923341991,-5.480638923341991,0.0
chlormephos,0,0.0,0.0,0.0,0.0,0.0
chlorethoxyfos,0,0.0,0.0,0.0,0.0,0.0
ronnel,1,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.7339691750802005,0.0
tolclofos-methyl,0,0.0,0.0,0.0,0.0,0.0
methyl trithion,0,0.0,0.0,0.0,0.0,0.0
trichloronate,1,-4.31748811353631,-4.31748811353631,-4.31748811353631,-4.31748811353631,0.0
dichlofenthion,0,0.0,0.0,0.0,0.0,0.0
chlorthiophos,0,0.0,0.0,0.0,0.0,0.0
carbophenothion,0,0.0,0.0,0.0,0.0,0.0
coumaphos,0,0.0,0.0,0.0,0.0,0.0
methylchlorpyrifos,0,0.0,0.0,0.0,0.0,0.0
dicapthon,0,0.0,0.0,0.0,0.0,0.0
chlorthion,1,-5.480638923341991,-5.480638923341991,-5.480638923341991,-5.480638923341991,0.0
isazophos,1,-4.276666119016055,-4.276666119016055,-4.276666119016055,-4.276666119016055,0.0
chlorpyrifos,7,-1.2237754316221157,1.5141277326297755,-0.48324497058429283,-0.7419373447293773,2.7379031642518914
chlorphoxim,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
phosazetim,0,0.0,0.0,0.0,0.0,0.0
dialifor,0,0.0,0.0,0.0,0.0,0.0
bromophos,1,2.2072749131897207,2.2072749131897207,2.2072749131897207,2.2072749131897207,0.0
bromophos-ethyl,0,0.0,0.0,0.0,0.0,0.0
profenofos,0,0.0,0.0,0.0,0.0,0.0
iodofenphos,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
sesone,0,0.0,0.0,0.0,0.0,0.0
D\&C black 1,0,0.0,0.0,0.0,0.0,0.0
D\&C green 5,0,0.0,0.0,0.0,0.0,0.0
FD\&C green 2,0,0.0,0.0,0.0,0.0,0.0
dioctyl sulfosuccinatesodium salt,0,0.0,0.0,0.0,0.0,0.0
D\&C yellow 10,0,0.0,0.0,0.0,0.0,0.0
D\&C yellow 8,0,0.0,0.0,0.0,0.0,0.0
dodecylbenzenesulfonic acid sodium salt,0,0.0,0.0,0.0,0.0,0.0
fosetyl-aluminum,0,0.0,0.0,0.0,0.0,0.0
tetramethylsilane,1,12.940041820610373,12.940041820610373,12.940041820610373,12.940041820610373,0.0
tetraethylsilane,1,12.480509491231935,12.480509491231935,12.480509491231935,12.480509491231935,0.0
trimethylsilanol,1,2.659260036932778,2.659260036932778,2.659260036932778,2.659260036932778,0.0
silicic acid,1,-23.85876005287556,-23.85876005287556,-23.85876005287556,-23.85876005287556,0.0
dimethylsilanediol,1,-7.937374696163295,-7.937374696163295,-7.937374696163295,-7.937374696163295,0.0
tetramethyl silicate,0,0.0,0.0,0.0,0.0,0.0
pentamethyldisiloxanol,0,0.0,0.0,0.0,0.0,0.0
tetraethyl silicate,0,0.0,0.0,0.0,0.0,0.0
trimethoxysilylpropyl methacrylate,0,0.0,0.0,0.0,0.0,0.0
hexamethyldisiloxane,4,8.078938260485081,14.076875322098681,11.097167999248638,11.116429207205396,5.9979370616136
octamethyltrisiloxane,3,12.621588089491839,14.894320219336205,13.446055697927344,12.822258784953991,2.272732129844366
decamethyltetrasiloxane,2,14.360237733405945,15.781623414337107,15.070930573871525,15.070930573871525,1.4213856809311611
dodecamethylpentasiloxane,0,0.0,0.0,0.0,0.0,0.0
tetradecamethylhexasiloxane,0,0.0,0.0,0.0,0.0,0.0
hexadecamethylheptasiloxane,0,0.0,0.0,0.0,0.0,0.0
octadecamethyloctasiloxane,0,0.0,0.0,0.0,0.0,0.0
hexamethylcyclotrisiloxane,0,0.0,0.0,0.0,0.0,0.0
octamethylcyclotetrasiloxane,5,9.028018815182229,14.130221302803974,11.824934936391617,10.982297213908058,5.102202487621746
decamethylcyclopentasiloxane,5,9.511445464760104,15.088476233777161,12.058015689530942,10.381523353479128,5.577030769017057
dodecamethylcyclohexasiloxane,3,8.804875263868018,14.73180128983843,11.044226468831539,9.596002852788168,5.9269260259704115
"tetramethyldisiloxane-1,3-diol",0,0.0,0.0,0.0,0.0,0.0
"hexamethyltrisiloxane-1,5-diol",0,0.0,0.0,0.0,0.0,0.0
"octamethyltetrasiloxane-1,7-diol",0,0.0,0.0,0.0,0.0,0.0
pentamethylcyclotrisiloxanol,0,0.0,0.0,0.0,0.0,0.0
heptamethylcyclotetrasiloxanol,0,0.0,0.0,0.0,0.0,0.0
nonamethylcyclopentasiloxanol,0,0.0,0.0,0.0,0.0,0.0
hexamethyldisilazane,0,0.0,0.0,0.0,0.0,0.0
dichloromethylsilane,0,0.0,0.0,0.0,0.0,0.0
etacelasil,1,-7.9724660159745655,-7.9724660159745655,-7.9724660159745655,-7.9724660159745655,0.0
zineb,1,-8.216088098632316,-8.216088098632316,-8.216088098632316,-8.216088098632316,0.0
ziram,0,0.0,0.0,0.0,0.0,0.0
diethyl arsine,0,0.0,0.0,0.0,0.0,0.0
lewisite,0,0.0,0.0,0.0,0.0,0.0
phenyldichloroarsine,0,0.0,0.0,0.0,0.0,0.0
adamsite,0,0.0,0.0,0.0,0.0,0.0
2-amino-4-(methylselenyl)butyric acid,0,0.0,0.0,0.0,0.0,0.0
tetramethylstannane,3,11.330603908176274,11.574800868688316,11.482929816439842,11.543384672454938,0.24419696051204198
tetraethylstannane,3,11.417615285165903,12.07504438312377,11.833293818358227,12.007221786785008,0.6574290979578663
tetrabutylstannane,0,0.0,0.0,0.0,0.0,0.0
hexabutyldistannoxane,0,0.0,0.0,0.0,0.0,0.0
hexakis(2-methyl-2-phenylpropyl)distannoxane,0,0.0,0.0,0.0,0.0,0.0
"1-(tricyclohexylstannyl)1H-1,2,4-triazole",0,0.0,0.0,0.0,0.0,0.0
dimethylmercury,6,5.7763531674910364,6.6453910145146455,6.396772386026952,6.573840592694308,0.8690378470236091
diethylmercury,0,0.0,0.0,0.0,0.0,0.0
dipropylmercury,0,0.0,0.0,0.0,0.0,0.0
diisopropylmercury,0,0.0,0.0,0.0,0.0,0.0
dibutylmercury,0,0.0,0.0,0.0,0.0,0.0
diphenylmercury,0,0.0,0.0,0.0,0.0,0.0
hydroxymethylmercury,2,-7.313220387090301,-6.887552571664617,-7.100386479377459,-7.100386479377459,0.4256678154256841
phenyl mercuric ethanoate,0,0.0,0.0,0.0,0.0,0.0
(3-cyanoguanidino)methylmercury,0,0.0,0.0,0.0,0.0,0.0
chloromethylmercury,5,-3.258096538021482,-2.70805020110221,-2.952194333427642,-2.995732273553991,0.5500463369192721
chloroethylmercury,0,0.0,0.0,0.0,0.0,0.0
chloropropylmercury,0,0.0,0.0,0.0,0.0,0.0
chloroisopropylmercury,0,0.0,0.0,0.0,0.0,0.0
chlorobutylmercury,0,0.0,0.0,0.0,0.0,0.0
chloropentylmercury,0,0.0,0.0,0.0,0.0,0.0
chlorophenylmercury,0,0.0,0.0,0.0,0.0,0.0
2-methoxyethylmercury chloride,0,0.0,0.0,0.0,0.0,0.0
bromomethylmercury,1,-1.308332819650179,-1.308332819650179,-1.308332819650179,-1.308332819650179,0.0
bromoethylmercury,0,0.0,0.0,0.0,0.0,0.0
bromophenylmercury,0,0.0,0.0,0.0,0.0,0.0
iodomethylmercury,1,0.5447271754416722,0.5447271754416722,0.5447271754416722,0.5447271754416722,0.0
iodoethylmercury,0,0.0,0.0,0.0,0.0,0.0
iodophenylmercury,0,0.0,0.0,0.0,0.0,0.0
tetramethyl lead,0,0.0,0.0,0.0,0.0,0.0
ethyltrimethylplumbane,0,0.0,0.0,0.0,0.0,0.0
diethyldimethylplumbane,0,0.0,0.0,0.0,0.0,0.0
triethylmethylplumbane,0,0.0,0.0,0.0,0.0,0.0
tetraethyllead,2,11.250561200502737,11.250561200502737,11.250561200502737,11.250561200502737,0.0