data/catechol_single_solvent_yields.csv

EXP NUM,Residence Time,Temperature,SM,Product 2,Product 3,SM SMILES,Product 2 SMILES,Product 3 SMILES,SOLVENT NAME,SOLVENT SMILES,SOLVENT Ratio,Reaction SMILES
0,2.001019108286073,175.0,0.9031177176568796,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,3.978166690325224,175.0,0.8983131599846912,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,7.011797263567132,175.0,0.8970765842146552,0.006709941673215963,0.005429366589593721,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,10.031130106091268,175.0,0.8768018074968278,0.01408422626581917,0.010995169088770329,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,13.079226969438196,175.0,0.857585278915383,0.019298459144614737,0.013466705866091042,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.011731013510143,175.0,0.8575457883858829,0.02038339413480066,0.016256389841957413,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.00681067223013,175.0,0.8569761338923327,0.021584307140218927,0.015732197243350773,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.000563359240005,175.0,0.8535143214906921,0.02871519027052481,0.02303686169046506,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.6892719874970825,0.13627220286735003,0.1546205794558417,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.6913285984488712,0.13708953516387443,0.15690017789826727,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.6910793212980783,0.13749726151491276,0.15717423715628048,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.6933060779079735,0.1385119968795819,0.15904651736396058,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,2.172434206210028,175.0,0.9154765343201108,0.003650565093988352,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,5.191618919621988,175.0,0.8996855077119938,0.02345918047855574,0.02468960228008194,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,8.225286201343351,175.0,0.8480459338301854,0.058156937926017005,0.06352530136440872,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,11.273507802440008,175.0,0.7760104816125005,0.09864028470573069,0.1122487529917256,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,14.292628735012158,175.0,0.7129965126925549,0.13193993116349115,0.15002036833210686,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.009927794380928,175.0,0.69786069124682,0.1388153136429867,0.16012701302336516,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.004374605086925,175.0,0.7030776700678101,0.13705904544956612,0.15688169877015581,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.8542248909449007,0.021126886513272304,0.016142195896767075,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.8546277589156841,0.02019066896630116,0.015297462680029426,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.8534998324429977,0.02006522144816493,0.01464609125671621,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.0,0.8560276163824764,0.020448456481012397,0.014828719924145363,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,175.46153846153845,0.8533943010353159,0.02231162997396545,0.01701843455158094,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,178.35329341317365,0.8086185792467367,0.03969382897371694,0.03319513301234484,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,183.89903846153845,0.6556673029199187,0.09343942833682348,0.07997344520957117,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,192.66706730769232,0.3775907925027213,0.1843750006659029,0.15779412639801077,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,203.45889570552148,0.14901103041477173,0.25426646461921465,0.22101739651760088,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,212.88292682926829,0.05827714695279405,0.2816721664175359,0.2459728764917124,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,219.5121359223301,0.03383756104303084,0.29248722633132646,0.2573519308881635,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,223.6316425120773,0.03349924225788692,0.2979337713815473,0.25945325621777077,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03178872863178837,0.2991513664259195,0.2604353482167253,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03146350523743261,0.3025485250426923,0.2615418770898564,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03501284603202056,0.3006866061335902,0.25768810327870123,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03058939884401282,0.3031096317957748,0.2605139807482832,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03244692467021684,0.2974686963637476,0.24662379952687963,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,2.001019108286073,225.0,0.7321389986166197,0.0831326430718248,0.08939068549978774,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,3.819262231684206,225.0,0.331372076491143,0.09564072784211836,0.09175797446025005,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,6.852892804977273,225.0,0.337312178264275,0.27361410145531817,0.26611767768551237,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,12.920326648031732,225.0,0.057196910000722204,0.3252106542181041,0.3028105328536339,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.011945651622227,225.0,0.057000686185667906,0.3196591162365932,0.2746367840214828,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.00708042790393,225.0,0.045081967387841544,0.3264609575084665,0.28597188863179523,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.00085721186224,225.0,0.0,0.3389728841449992,0.3139879398770721,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.0,0.44463953175908527,0.530588536895779,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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0,15.01720841288261,225.0,0.0,0.44557555499987894,0.5310227064198743,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,3.968719097946405,225.0,0.05050707459163963,0.43946389853854095,0.5100290929148227,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,7.002349671188313,225.0,0.0,0.4636319422608356,0.5337676057620034,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,10.036128579253043,225.0,0.0,0.45739745407155963,0.5268278725301686,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,13.06977963904501,225.0,0.0,0.44622520994992565,0.5296188273109201,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01174389454718,225.0,0.0,0.44750403254587146,0.5306451099566241,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.006828422383478,225.0,0.0,0.4460454471005392,0.5292023462407525,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.000553255731576,225.0,0.0,0.44292850945430634,0.5262047643313157,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Ethylene Glycol [1,2-Ethanediol]",OCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.06583471412740295,0.2998564073716254,0.25730273128626285,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03808925329759655,0.29463359859117627,0.2514616408469847,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03512935962442482,0.2976076469834212,0.25502165490787954,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
0,15.01720841288261,225.0,0.03814122027799818,0.2976262587538802,0.25437199905485736,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Methanol,CO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,2.001019108286073,175.0,0.9578332054240419,0.016928539505304062,0.025191117624573992,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,3.972850613888568,175.0,0.8324804689561706,0.07094821354157707,0.0965714015546309,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,7.006481187130476,175.0,0.5792785398574222,0.15972484154522856,0.20301706744226558,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,10.040260264889866,175.0,0.3953355045032509,0.22279065838831114,0.2662377701877531,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,13.073911040646635,175.0,0.3337324818452121,0.25159029457611454,0.29716594825712517,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.01173826336526,175.0,0.32531655094896456,0.25530946916527225,0.3017907022786122,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.00682066216541,175.0,0.316812245980137,0.2582403106015698,0.3044026475070555,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.000544907388758,175.0,0.3562872982687629,0.24402384636968105,0.2956753220267846,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",C(C(F)(F)F)(C(F)(F)F)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C(C(F)(F)F)(C(F)(F)F)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.01720841288261,175.0,0.8844287766274719,0.0,0.009507122826441387,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.01720841288261,175.0,0.8792805647153156,0.0,0.009145041360797692,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.01720841288261,175.0,0.8854735752765158,0.0,0.010285514993717269,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.01720841288261,175.0,0.875238763921838,0.0,0.008895364411427754,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,2.167118129773371,175.0,0.9142542291808592,0.0,0.011468779233889287,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,5.200748703066438,175.0,0.8904636698868645,0.0,0.012651249094553084,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,8.234416734063643,175.0,0.8806194720939088,0.0,0.01102218596202831,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,11.268191655966575,175.0,0.8838964476456194,0.0,0.008114040414084707,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,14.301758012032906,175.0,0.8796474995763945,0.0,0.01067416514113292,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.009936153364832,175.0,0.8767244263323068,0.0,0.009259878796137188,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
1,15.004385703741718,175.0,0.8742274978616292,0.0,0.006885865417531251,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,2-Methyltetrahydrofuran [2-MeTHF],O1C(C)CCC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O1C(C)CCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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6,15.01720841288261,175.5,0.6068512710260685,0.0882758373960165,0.08320669384952943,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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6,15.01720841288261,184.1846496106785,0.203276663782335,0.21833517744816247,0.18837212581476082,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,191.94482758620688,0.0077010115811659,0.2808229878029402,0.13406320302678326,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,203.0324449594438,0.0,0.2574003758594551,0.0558723588973622,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,212.8539976825029,0.0,0.2256350652953731,0.014720182842766326,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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6,15.01720841288261,225.0,0.011482153378355507,0.33827010999874657,0.26156117833451187,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,225.0,0.008428437997225547,0.3454490664592062,0.2714363265961271,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,2.001019108286073,225.0,0.06583602162899756,0.34663161395183195,0.2884669648261892,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,5.031804371850512,225.0,0.0,0.3827894584738349,0.31192499586310984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,8.051011216934967,225.0,0.0,0.36843942740938185,0.2806231197105108,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,11.099244770377936,225.0,0.0,0.3898007034058284,0.2930146739035287,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,14.118377626084566,225.0,0.0,0.34752171994908354,0.24597878741865153,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01019929969516,225.0,0.0,0.3629448259399719,0.2658221981353145,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.004765643789142,225.0,0.0,0.3487171854178454,0.24694245300588252,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"Water.2,2,2-Trifluoroethanol",O.OCC(F)(F)F,"[0.6, 0.4]",C=CCOC1=C(OCC=C)C=CC=C1.O.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,225.0,0.0,0.16645370981319935,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,225.0,0.0,0.16064906525084738,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,225.0,0.0,0.1630933548512485,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
6,15.01720841288261,225.0,0.0,0.16445369006627206,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"2,2,2-Trifluoroethanol",OCC(F)(F)F,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC(F)(F)F>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,2.001019108286073,175.0,0.8995830753554698,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,3.974396320887763,175.0,0.9009370746292714,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,7.008026894129671,175.0,0.9025317963969939,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,10.041806035326315,175.0,0.908866577129876,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,13.075456704569888,175.0,0.9060097453921476,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01173615602056,175.0,0.9166613653025308,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.006817757966928,175.0,0.8979997574815627,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.0005417846387,175.0,0.922238445025892,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.8737931759799293,0.008817307640276795,0.008330175293331148,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.9230037045912439,0.00878481414008831,0.01316534676865092,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.9125566242438282,0.009583906751715509,0.013963017618083058,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.9095014050066612,0.009682207827773315,0.012082611267958789,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,2.168663836823725,175.0,0.9141210307629352,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,5.202294410065633,175.0,0.8356478561247855,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,8.235962567732713,175.0,0.9040037592679865,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,11.26973738348056,175.0,0.9172411452367024,0.004250766391670628,0.00586879498380555,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,2.001019108286073,175.0,0.9095776575845769,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,3.7508321934979,175.0,0.9054094062341881,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,6.784462766739807,175.0,0.9121789556223816,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,9.818093339981717,175.0,0.9141468997616713,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,12.851723913223625,175.0,0.9039493999660173,0.0,0.004883212070423172,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.9109411953309219,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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7,15.01720841288261,175.0,0.9080162525401754,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.0,0.9070661368812724,0.0,0.004653067346736439,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,175.00585651537335,0.8913428678957571,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,176.04810495626822,0.9100521052233801,0.002062962654657036,0.005125172828497607,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,181.08926080892607,0.8997193881540398,0.008493153619785525,0.013681851607324968,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,189.176386913229,0.8139680677979403,0.035692934019881474,0.040988820759081064,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,198.29485396383868,0.5857000685529172,0.12104616151888167,0.11775188997181417,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,207.8964577656676,0.2847376419143537,0.21394187911951923,0.18951951822101804,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,215.76486129458388,0.13285815687433358,0.25215779684622586,0.21165101203915282,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,222.03176795580112,0.0718930272394275,0.26298854775783065,0.2104994437310645,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,224.6698499317872,0.0636409801584479,0.26704929578453607,0.21596287423347757,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06233339712497406,0.25937065432478124,0.20704600548340088,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0648940357020959,0.2671609195554052,0.21576343925033623,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06422867658792075,0.26721510066483184,0.21536114484607574,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06518012442933335,0.2668664750133119,0.2159188481294639,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,2.001019108286073,225.0,0.8053554314670279,0.03898950309071769,0.045459623111001865,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,5.022067862267932,225.0,0.450203545110321,0.1668191091753431,0.15175843740643602,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,8.055720948931366,225.0,0.21191212268234658,0.24019374209097427,0.2070793221347125,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,11.089508093812128,225.0,0.09204754333019215,0.2666452908333593,0.21731103629174553,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,14.12308673424718,225.0,0.06655697570407684,0.2585250530911258,0.21091434547383245,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.010214317544524,225.0,0.06647431822506024,0.2670610279723016,0.21453993436739652,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.004755958352687,225.0,0.06849962627936415,0.2817049951097913,0.2270376126699702,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0,0.38138601812697376,0.38634920857018223,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0,0.35709989783199847,0.3781254323730669,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0,0.3838421740851905,0.40616493382106283,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0,0.3779585244827811,0.40353148955264617,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,2.001019108286073,225.0,0.7795190678627509,0.10386052830216144,0.11662048923632945,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,3.216335378203894,225.0,0.40719006815426206,0.15042341344290525,0.16892900250843504,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,6.249965951445802,225.0,0.1914223643086924,0.2838282434302787,0.3061891545019686,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,9.283707500441096,225.0,0.09433005272973521,0.33386441835139796,0.35854500059209615,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,12.317410287431583,225.0,0.0,0.36247057902548735,0.38419002833894483,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.012721029643217,225.0,0.0,0.37487170591297586,0.3985623086451845,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.008193329367714,225.0,0.0,0.388941548982768,0.41434620287644885,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.00212207010918,225.0,0.0,0.3562261251785104,0.384880868715093,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Decanol,CCCCCCCCCCO,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCCCCCCCCCO>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06670116196182965,0.2693799030794968,0.22071453085057924,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06769153765938624,0.2662919865521794,0.21319774325913252,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.0676177070790836,0.26358160331018105,0.21277685714454525,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
7,15.01720841288261,225.0,0.06838382702116365,0.25942528662950154,0.21338174149474504,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,"DMA [N,N-Dimethylacetamide]",CN(C)C(C)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CN(C)C(C)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,2.001019108286073,175.0,0.9032306013567135,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,3.9645442444339096,175.0,0.9220331969480584,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,6.998174817675817,175.0,0.913424549732435,0.003665236872178304,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,10.01750709611997,175.0,0.9017244750487489,0.00542121284077055,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,13.051159436116675,175.0,0.8911317195229155,0.007204051354555144,0.00501332652119945,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01176923834464,175.0,0.8896794512080569,0.008833809018872272,0.007292144294466013,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.006863363214508,175.0,0.8856886841988282,0.00630712567524873,0.005580721029166105,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.00056169452364,175.0,0.8962035235964578,0.005604248443799213,0.006738258187687701,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,0.9327575272888964,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,6.807559956564546,175.0,0.9287837878546241,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,2.144365900488765,175.0,0.9246233881392534,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,5.177996473730673,175.0,0.9507492179191569,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,8.226109682914284,175.0,0.92516815109569,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,11.245439120341416,175.0,0.9086054352399542,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,14.279007040647684,175.0,0.896842710669788,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.00997187467874,175.0,0.8997548928886308,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.004433151534611,175.0,0.877373201290233,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,1.0000000939496783,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,2.001019108286073,175.0,0.8335871039703481,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,3.970885976923455,175.0,0.8487890548441086,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,7.004516550165363,175.0,0.8269793568326442,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,10.03814712340727,175.0,0.8174560945009245,0.0033255199820012987,0.003850301717718766,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,13.071777696649178,175.0,0.8067428894594673,0.004253653366774309,0.004197895033518347,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,0.808765631426799,0.004956673585458054,0.0048694763686134065,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,0.8076145097235432,0.0048283694046897105,0.005288186735770877,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,0.8079851919343646,0.004977770319575149,0.007628968955308745,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.0,0.8099506437237031,0.0044860452487057376,0.006066557245169582,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,175.00360576923077,0.8088445483987438,0.005946344252516323,0.004818066711249582,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,176.37092731829574,0.8197449424545376,0.00735449328760332,0.007640255676820175,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,180.653603034134,0.7528340298807066,0.01994730378107688,0.020587926963646433,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,186.96484375,0.5963931799997336,0.06209048338109347,0.06231176771121518,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,197.48079470198675,0.3686065458962605,0.1656556226334337,0.17607294564923331,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,209.06624203821656,0.14462351036937754,0.2589569271402979,0.2830980411533065,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,217.33077905491697,0.06950667351280179,0.31852507768151067,0.3312975999925351,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,222.12996389891697,0.04915200458243486,0.3223353734507375,0.3364737692109795,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,224.6244186046512,0.0515782676948619,0.3281766834608097,0.3390579924840359,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.049542479709702124,0.33125128508501744,0.33927708519376376,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.04917688494810171,0.32309141556548904,0.3363005596098543,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.05116559899605299,0.33106551665575956,0.34033334957798805,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.05055803746133634,0.3311858452578088,0.34036457875432374,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,2.2084910724515794,225.0,0.6805384727339032,0.048592814128412855,0.04874336314771346,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,5.242121645693487,225.0,0.2926739612122476,0.201216536679223,0.20183273021101752,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,8.275793048125024,225.0,0.11034117299268187,0.2845387631920516,0.2929483689376042,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,11.30956512589023,225.0,0.05139076446223664,0.32020933005318925,0.32540694751238197,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,14.343128637460724,225.0,0.04985020659071998,0.33151513968480173,0.33495738667279423,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.009870972198769,225.0,0.049043498594810025,0.3280634581717028,0.3383611949551531,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.004299199267734,225.0,0.07245656821387425,0.3311216546584135,0.35071807768132546,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.21001203467976207,0.2590436629175202,0.17408820879551778,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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8,3.436389161629449,225.0,0.6761102577481668,0.0819496720139267,0.06257975225344803,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,6.470019734871357,225.0,0.4511897742566548,0.19327457932433748,0.13721650324247775,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,9.50377353789804,225.0,0.296859440813824,0.26681663905686925,0.1955245043682784,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,12.53746119597281,225.0,0.2009484733377543,0.24167171798866824,0.1689667200489319,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.012445192178347,225.0,0.20093584059901348,0.2344177239278867,0.1630625995515885,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.00780407836828,225.0,0.19713734367149813,0.23262435387025865,0.16540858856801635,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.00165324628142,225.0,0.18704737547060846,0.24685151843880818,0.20839642557705482,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,THF [Tetrahydrofuran],C1CCOC1,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCOC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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8,15.01720841288261,225.0,0.1366673327748666,0.3062811631809546,0.4291896296922764,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
8,15.01720841288261,225.0,0.07518087122225095,0.30279777760148846,0.3722381843012922,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethanol,OCC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.OCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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9,3.9709582062243953,200.0,0.8829633962762289,0.018471161402058227,0.001833524281654303,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,7.004588779466303,200.0,0.7919483071994926,0.06350681925403744,0.08415449382020594,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,10.03821935270821,200.0,0.6866670817690784,0.1349824431868803,0.12998896058317264,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,13.07184992595012,200.0,0.5901153995082824,0.18093267593828494,0.14458284461090096,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.5638153146538312,0.20771964911744883,0.12607581347325295,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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9,15.01720841288261,200.0,0.5708297207772509,0.2081110972120988,0.18266557123652988,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.5718826094844205,0.21458784822429108,0.18634764397971945,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.5876079403827444,0.22969163593972686,0.18270050399066362,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Dihydrolevoglucosenone (Cyrene),[C@H]12CCC([C@H](OC1)O2)=O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.[C@H]12CCC([C@H](OC1)O2)=O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,2.20856330175252,200.0,0.8318871538523134,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,5.242193874994428,200.0,0.8135826043518768,0.013146432642765469,0.012361422234515201,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,8.275824448287494,200.0,0.7817703133084895,0.030751707424915144,0.02552161829433287,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,11.309455021529402,200.0,0.7111882065199062,0.05113638468645363,0.04356265680464657,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,14.34308559477131,200.0,0.6879548861370091,0.050223995946304584,0.04537260664748225,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6796282560809038,0.05056744714807155,0.043422861519158806,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.678680403856192,0.04688076634188662,0.04481427295417984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6766860499003176,0.05004213995176769,0.042623277896803334,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6728738345647604,0.049031700416142666,0.04506116143609793,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6669103283025791,0.049365767592074915,0.04467407291094645,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.667977346057389,0.05262737344686383,0.04519370187419951,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6648324136809368,0.04858252162904024,0.04303959772933646,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6591008585255612,0.04538819145356376,0.046017120375400206,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6597175777316557,0.04846700133022734,0.0460787846578832,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6617401121161589,0.047445654127633734,0.044249432055906854,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6584060776369276,0.04817990296756403,0.04466738219636551,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.653190975080308,0.0456502116147353,0.043577418213443624,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
9,15.01720841288261,200.0,0.6550108148874116,0.04741006835786195,0.05389145826909841,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Ethyl Acetate,O=C(OCC)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OCC)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,2.001019108286073,200.0,0.9685730914367171,0.009575358947026356,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,3.975580881382257,200.0,0.9573855204085627,0.01234173759741922,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,6.994765594743058,200.0,0.925178244874502,0.030943250670117287,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,10.042842027866072,200.0,0.8934095531436962,0.06709453653748096,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,13.07647260110798,200.0,0.8606738295514124,0.07888481802763385,0.020260066891488755,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8789394525154948,0.04729845095480913,0.05607998983850483,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.017208412882612,200.0,0.8533746200497879,0.06262831870242586,0.03974740649811461,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8858861820980448,0.04380328770714398,0.05046364225240023,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8503058187012429,0.04826266539564552,0.05551008666932272,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8545906038347068,0.04928248874231512,0.04595679954422715,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8730670004680929,0.044259016188873124,0.05406070832383034,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8330165709842088,0.039779329805098324,0.06098832797386483,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8553526778489124,0.04182911680462116,0.05211728723466037,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8566705460725873,0.04148818153475279,0.046075165375095165,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.890107766726744,0.04251878744072559,0.04965821588174934,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8330304549145615,0.04513801116574685,0.039539971143584714,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,MTBE [tert-Butylmethylether],CC(C)(C)OC,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,2.198740117029274,200.0,0.7554296694398471,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,5.246816550152289,200.0,0.7172057244178877,0.005273319624539435,0.006181776732476824,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,8.280447123445356,200.0,0.665080634598348,0.019416788204478518,0.022255156147619123,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,11.314077696687264,200.0,0.7092459106618587,0.053830837523964774,0.04661797221108231,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,14.347708269929171,200.0,0.680266097290148,0.0581316463936004,0.048855254462553725,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6760063532507056,0.05826777418262499,0.0577843952879626,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6762012121204171,0.057030838505928313,0.049127952630990575,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6777003007913086,0.05680321599939418,0.05818810492845025,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6798609437493124,0.058061702209450124,0.05880943395105941,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6994818867110246,0.05646030195217393,0.04630294292936907,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.6863549730700302,0.05240248077989202,0.04781110748885253,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7261748234528276,0.05289305026969779,0.0464211751055576,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7087989729822283,0.05133760394025175,0.04978139776505697,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.8927516350927581,0.05649006508002413,0.05075838650126477,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7129161835087019,0.05418977379170504,0.049041779762625824,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7853528410317743,0.0503995058084551,0.04448275048397168,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7269216697821815,0.050784573447098004,0.044804650443612835,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
10,15.01720841288261,200.0,0.7279084697155733,0.05722088740741975,0.046716936139750274,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,Butanone [MEK],CCC(=O)C,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CCC(=O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,2.001019108286073,200.0,0.8770786201610231,0.0,0.0,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,3.940275199880716,200.0,0.8527676163273356,0.01004413655773032,0.008938877038345129,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,6.959459913241517,200.0,0.7817443351031185,0.03842598744249748,0.03253855874366391,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,9.993090486483425,200.0,0.7063816554859449,0.058605897607654674,0.0491763690053123,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,13.026721059725332,200.0,0.665197591800145,0.06533361935991752,0.04885683751622577,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6608776278318166,0.08003688724517972,0.07215079273600572,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.664704094640067,0.07497163885246388,0.0634029470904747,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6525019682678372,0.0802044423962952,0.07152804344227615,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6624789829476673,0.07960575278213942,0.06589591455120669,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6628194076597531,0.08789196645923258,0.0741454222182249,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6639287778842344,0.08559334456391583,0.07742674375348295,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6801022994165354,0.08572485687286832,0.07524275843604583,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6618797198736527,0.0930278056851598,0.08857469694245262,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6720976822165244,0.09177384466682559,0.08569547671619915,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6683135430378248,0.09328801608704759,0.08933979503800149,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.7162259808667283,0.09440737898129732,0.09064205082642111,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.6645007550656679,0.09616737193271088,0.09441299605707383,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
11,15.01720841288261,200.0,0.664458490751842,0.08680478158544194,0.08769343821697802,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,tert-Butanol [2-Methylpropan-2-ol],CC(C)(C)O,[1.0],C=CCOC1=C(OCC=C)C=CC=C1.CC(C)(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1
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