EXP NUM,SOLVENT A NAME,SOLVENT B NAME,SolventB%,Residence Time,Temperature,SM,Product 2,Product 3,SM SMILES,Product 2 SMILES,Product 3 SMILES,SOLVENT A SMILES,SOLVENT B SMILES,SOLVENT A Ratio,SOLVENT B Ratio,Reaction SMILES A,Reaction SMILES B,RAMP NUM
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,2.001019108286073,175.0,0.9031177176568796,0.0,0.0,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,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,3.978166690325224,175.0,0.8983131599846912,0.0,0.0,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,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,7.011797263567132,175.0,0.8970765842146552,0.0067099416732159,0.0054293665895937,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,10.031130106091268,175.0,0.8768018074968278,0.0140842262658191,0.0109951690887703,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,13.079226969438196,175.0,0.857585278915383,0.0192984591446147,0.013466705866091,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.011731013510143,175.0,0.8575457883858829,0.0203833941348006,0.0162563898419574,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.00681067223013,175.0,0.8569761338923327,0.0215843071402189,0.0157321972433507,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0048333739278409,15.000563359240005,175.0,0.8535143214906921,0.0287151902705248,0.023036861690465,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0821914808816452,14.995213684642296,175.0,0.8425731469269075,0.0341064522366871,0.0281607561712991,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.1598135346166128,14.991416110751745,175.0,0.8399395364006698,0.0401934070862144,0.032712148798099,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.2369640133717106,14.989204527796574,175.0,0.826024120594282,0.0463454421607438,0.0376969619703082,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3136446240976479,14.988549618146862,175.0,0.8193008786860484,0.04977681373419,0.0411112206550155,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.988549618146862,175.0,0.8177173575695214,0.0504580334022083,0.0418772461417937,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.988549618146862,175.0,0.8159715763317752,0.0530478978132761,0.0441826472757519,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3917320133894648,14.988549618146862,175.0,0.807456281772513,0.0598521725854855,0.0499979657860571,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.4710811394652938,14.988552580462056,175.0,0.7918761115185535,0.0673077486794811,0.059606231236696,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.5504047754688878,14.989428708713604,175.0,0.777744781756305,0.0743679236274969,0.0634050523720606,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6296930380881519,14.991864829062251,175.0,0.7680090199033561,0.0818326410843127,0.0712161467219471,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.99588370238598,175.0,0.7635704886577117,0.0830854848054069,0.0724039346760972,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,15.001417044413756,175.0,0.7632397026920518,0.084667853146592,0.0736625087537708,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.7067782441111423,15.007592104211652,175.0,0.7501299349521608,0.0932465924570988,0.0837354149232685,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.7837061568554153,15.012288398202143,175.0,0.7380731381937315,0.1046551149802949,0.098964547897894,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.8611040179482231,15.015437908141394,175.0,0.7209551484610072,0.1173300024977874,0.118012952872178,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.9382384288379628,15.017008687436828,175.0,0.6959961656183357,0.1316205810883911,0.1452588709247182,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,175.0,0.6892719874970825,0.13627220286735,0.1546205794558417,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,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,175.0,0.6913285984488712,0.1370895351638744,0.1569001778982672,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,175.0,0.6910793212980783,0.1374972615149127,0.1571742371562804,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,1
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,175.0,0.6933060779079735,0.1385119968795819,0.1590465173639605,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,2.172434206210028,175.0,0.9154765343201108,0.0036505650939883,0.0,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,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,5.191618919621988,175.0,0.8996855077119938,0.0234591804785557,0.0246896022800819,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,8.225286201343351,175.0,0.8480459338301854,0.058156937926017,0.0635253013644087,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,11.273507802440008,175.0,0.7760104816125005,0.0986402847057306,0.1122487529917256,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,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,14.292628735012158,175.0,0.7129965126925549,0.1319399311634911,0.1500203683321068,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.009927794380928,175.0,0.69786069124682,0.1388153136429867,0.1601270130233651,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,2
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.004374605086925,175.0,0.7030776700678101,0.1370590454495661,0.1568816987701558,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.9638425062496178,14.998209187342582,175.0,0.721550468186342,0.1241138400189272,0.1385453470097173,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.8861584704938535,14.993475066330577,175.0,0.7393163498304797,0.1077636683922754,0.110263092121112,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.8089464414444275,14.99033262575722,175.0,0.7535131046902268,0.0937216497651327,0.0847544729342828,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.732204709774281,14.988757419769172,175.0,0.7681182417229135,0.0826262909163019,0.068937377112549,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.988549618146862,175.0,0.7744718971917337,0.0799454934256653,0.0673664637857504,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.988549618146862,175.0,0.7774047034973846,0.0788131925202041,0.0675730384235543,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6555002803380865,14.988549618146862,175.0,0.789453008728713,0.0717505315777852,0.0593178159131543,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.5757721685259798,14.988549618146862,175.0,0.8040304484605119,0.0634395372728216,0.0502237566355711,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.4968074132821385,14.988719279654106,175.0,0.8150267885749048,0.0574006047454715,0.0461296775699932,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.4171205162826612,14.9902377440867,175.0,0.8202616028771093,0.0510606251857462,0.0412334700384579,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3378467399126894,14.993312718115703,175.0,0.8242821976994341,0.0482568161429673,0.0383164408701874,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.997921916028645,175.0,0.8280082836138911,0.0473109192154733,0.0383535979739039,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,15.004088310092811,175.0,0.8350246642829293,0.0420681094094992,0.0340856896896643,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.2620966471710295,15.009680535604277,175.0,0.8439366394840707,0.0372391049651383,0.0308311743774203,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.1847603489287208,15.013762096396022,175.0,0.8494536003672803,0.0322548572565221,0.0277476812276671,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.1080546048674116,15.01625354794669,175.0,0.8562434471837626,0.0262576314653103,0.0220821114852654,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0305111311583698,15.017200472584593,175.0,0.854958551452677,0.0208217725107984,0.0164894531872224,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,175.0,0.8542248909449007,0.0211268865132723,0.016142195896767,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,175.0,0.8546277589156841,0.0201906689663011,0.0152974626800294,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,175.0,0.8534998324429977,0.0200652214481649,0.0146460912567162,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,3
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,175.0,0.8560276163824764,0.0204484564810123,0.0148287199241453,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,175.46153846153845,0.8533943010353159,0.0223116299739654,0.0170184345515809,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,178.35329341317365,0.8086185792467367,0.0396938289737169,0.0331951330123448,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,183.89903846153845,0.6556673029199187,0.0934394283368234,0.0799734452095711,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,192.66706730769232,0.3775907925027213,0.1843750006659029,0.1577941263980107,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,203.45889570552148,0.1490110304147717,0.2542664646192146,0.2210173965176008,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,212.88292682926829,0.058277146952794,0.2816721664175359,0.2459728764917124,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,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,219.5121359223301,0.0338375610430308,0.2924872263313264,0.2573519308881635,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,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,223.6316425120773,0.0334992422578869,0.2979337713815473,0.2594532562177707,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0317887286317883,0.2991513664259195,0.2604353482167253,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,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0314635052374326,0.3025485250426923,0.2615418770898564,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,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0350128460320205,0.3006866061335902,0.2576881032787012,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0305893988440128,0.3031096317957748,0.2605139807482832,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,CO,OCCO,[1.0],[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,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=C1,4
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0324469246702168,0.2974686963637476,0.2466237995268796,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,2.001019108286073,225.0,0.7321389986166197,0.0831326430718248,0.0893906854997877,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,3.819262231684206,225.0,0.331372076491143,0.0956407278421183,0.09175797446025,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,6.852892804977273,225.0,0.337312178264275,0.2736141014553181,0.2661176776855123,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,12.920326648031732,225.0,0.0571969100007222,0.3252106542181041,0.3028105328536339,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,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.011945651622227,225.0,0.0570006861856679,0.3196591162365932,0.2746367840214828,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,CO,OCCO,[1.0],[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,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=C1,5
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.00708042790393,225.0,0.0450819673878415,0.3264609575084665,0.2859718886317952,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0011470643892773,15.00085721186224,225.0,0.0,0.3389728841449992,0.3139879398770721,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,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0788782616708844,14.99541081489042,225.0,0.0,0.3486273900895277,0.3315556402585187,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.1561371237069861,14.991560425596616,225.0,0.0,0.3550593820837137,0.3478137113702149,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.2329253616210909,14.989281583393677,225.0,0.0,0.3676856729048069,0.3705171761995348,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3099780208863545,14.988549618146862,225.0,0.0,0.3718340303651253,0.373828477719654,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.988549618146862,225.0,0.0,0.3721391280377062,0.3740117532728552,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.988549618146862,225.0,0.0,0.3787602331331932,0.3865601840483965,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3879534298912608,14.988549618146862,225.0,0.0,0.3885843164943165,0.4075640610015261,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.4673029411403742,14.98854977121482,225.0,0.0,0.3993492932248146,0.4298807933330947,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.5466282615846552,14.989351614440238,225.0,0.0,0.4127437937520484,0.4588135677649494,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6262956952012073,14.991728428321949,225.0,0.0,0.4207865625804812,0.4792059367130192,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.99565768363027,225.0,0.0,0.4208320383158275,0.4819093941521717,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,15.001146929807874,225.0,0.0,0.4230904914237482,0.4887096088039013,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.7800405916563602,15.012100077547077,225.0,0.0,0.4387678988777413,0.522797650238849,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.8570664882543162,15.01531261137643,225.0,0.0,0.441232408559806,0.5275701981136229,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.934195491958096,15.016965161294138,225.0,0.0,0.4441785661552985,0.5302081269897854,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,225.0,0.0,0.4446395317590852,0.530588536895779,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,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,225.0,0.0,0.4461404204378673,0.5309753680223424,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,225.0,0.0,0.4456639180842959,0.5299009660424496,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,6
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01720841288261,225.0,0.0,0.4455755549998789,0.5310227064198743,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,3.968719097946405,225.0,0.0505070745916396,0.4394638985385409,0.5100290929148227,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,7.002349671188313,225.0,0.0,0.4636319422608356,0.5337676057620034,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,10.036128579253043,225.0,0.0,0.4573974540715596,0.5268278725301686,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,13.06977963904501,225.0,0.0,0.4462252099499256,0.5296188273109201,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.01174389454718,225.0,0.0,0.4475040325458714,0.5306451099566241,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,CO,OCCO,[1.0],[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,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=C1,7
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",1.0,15.006828422383478,225.0,0.0,0.4460454471005392,0.5292023462407525,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,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.9950390839768184,15.000553255731576,225.0,0.0,0.4429285094543063,0.5262047643313157,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,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.9176811480451212,14.995206163439434,225.0,0.0,0.4381344211096888,0.5212641633565429,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.8404268954948869,14.991425440734927,225.0,0.0,0.4331787201596558,0.5135119954210807,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.7632760949144808,14.989208989277358,225.0,0.0,0.4259982970409331,0.5018525316503654,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6862285156107053,14.988549618146862,225.0,0.0,0.4232860244290078,0.4973135350159404,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.988549618146862,225.0,0.0,0.420764662285584,0.4943512404861386,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6698473282442748,14.988549618146862,225.0,0.0,0.417399529761382,0.4862354903311644,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.6081372476214975,14.988549618146862,225.0,0.0,0.4107798877880967,0.4729453821808436,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.5287881363082781,14.98855274089692,225.0,0.0,0.4005886417774055,0.4526398857378554,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.4494645585849812,14.989431439380496,225.0,0.0,0.3968398179275189,0.4344736688337402,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3701763542552925,14.991870130370444,225.0,0.0,0.3852711254586529,0.4215737349878551,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,14.995868812638946,225.0,0.0,0.3846843813181447,0.4189894287525714,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.3301526717557252,15.00142748577673,225.0,0.0,0.3708036769696222,0.3917961266941144,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.2930950924955402,15.00760112212447,225.0,0.0,0.3552346239965651,0.364671470741866,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.2161670104089252,15.012294850794206,225.0,0.0435990425438653,0.3454019520275542,0.3401648490988985,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.1391360394543668,15.015430578478115,225.0,0.0604317862765777,0.293524734638903,0.2489028204754562,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0620019500597866,15.017006219113682,225.0,0.0686473174621986,0.3001253296640678,0.2614520718958621,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0658347141274029,0.2998564073716253,0.2573027312862628,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0380892532975965,0.2946335985911762,0.2514616408469847,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,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0351293596244248,0.2976076469834212,0.2550216549078795,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
0,Methanol,"Ethylene Glycol [1,2-Ethanediol]",0.0,15.01720841288261,225.0,0.0381412202779981,0.2976262587538802,0.2543719990548573,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CO,OCCO,[1.0],[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,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=C1,8
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,2.001019108286073,175.0,0.957833205424042,0.016928539505304,0.0251911176245739,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,3.972850613888568,175.0,0.8324804689561706,0.070948213541577,0.0965714015546309,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,7.006481187130476,175.0,0.5792785398574222,0.1597248415452285,0.2030170674422655,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,10.040260264889866,175.0,0.3953355045032509,0.2227906583883111,0.2662377701877531,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,13.073911040646635,175.0,0.3337324818452121,0.2515902945761145,0.2971659482571251,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01173826336526,175.0,0.3253165509489645,0.2553094691652722,0.3017907022786122,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,9
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.00682066216541,175.0,0.316812245980137,0.2582403106015698,0.3044026475070555,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0050663407785638,15.000544907388758,175.0,0.3562872982687629,0.244023846369681,0.2956753220267846,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0824241353441652,14.99519994986258,175.0,0.4109422996035385,0.2241084375077084,0.2837429143451391,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1596782468485197,14.991421358854495,175.0,0.4907827577879795,0.1828844094429536,0.2363636446385988,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.236828906693394,14.989207036433072,175.0,0.6055419999251243,0.1461900170518254,0.2409322833067962,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3138763455711552,14.988549618146862,175.0,0.6252810764282367,0.153043419482017,0.0,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,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.988549618146862,175.0,0.6207827004628732,0.1411963974397755,0.2331256985347022,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.988549618146862,175.0,0.7077369714535241,0.1179860380569414,0.1952344509444028,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3919708198665511,14.988549618146862,175.0,0.8047101003097481,0.080296788410836,0.1370283409075265,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.4713199189038855,14.98855287677543,175.0,0.8607268195691284,0.0499073487367191,0.0873736950482955,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.5506434484468864,14.98943369999779,175.0,0.8866218932682162,0.0276553569573244,0.0537364389317059,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6299316046055575,14.99187451531725,175.0,0.8889191272495609,0.0235839233285248,0.0466350546238052,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.9958753221199,175.0,0.8916007507282466,0.0213382003647373,0.0417193870656131,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,15.001436120201106,175.0,0.8890015718445494,0.0192047811864236,0.0373082497797879,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.7070096063686098,15.00760857293244,175.0,0.8844023771053816,0.0100434411821642,0.0248280991847324,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.7839378284157905,15.012300181570026,175.0,0.8920324370039735,0.0025669537451113,0.0152918703881327,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.8609689396572386,15.015433785538336,175.0,0.89020982870165,0.0,0.0106763689455168,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.9381031696388196,15.017007300411931,175.0,0.8908013429336296,0.0,0.0088627197333885,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,175.0,0.8844287766274719,0.0,0.0095071228264413,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,175.0,0.8792805647153156,0.0,0.0091450413607976,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,175.0,0.8854735752765158,0.0,0.0102855149937172,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,10
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,175.0,0.875238763921838,0.0,0.0088953644114277,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,2.167118129773371,175.0,0.9142542291808592,0.0,0.0114687792338892,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,5.200748703066438,175.0,0.8904636698868645,0.0,0.012651249094553,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,8.234416734063643,175.0,0.8806194720939088,0.0,0.0110221859620283,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,11.268191655966575,175.0,0.8838964476456194,0.0,0.0081140404140847,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,14.301758012032906,175.0,0.8796474995763945,0.0,0.0106741651411329,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.009936153364832,175.0,0.8767244263323068,0.0,0.0092598787961371,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,11
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.004385703741718,175.0,0.8742274978616292,0.0,0.0068858654175312,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.9636096659261664,14.998192645361996,175.0,0.877523649597912,0.0,0.0084082410040886,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.886293866243161,14.99348194661252,175.0,0.8793605055089556,0.0024210116245957,0.0123468230279946,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.8090816558616852,14.99033676432191,175.0,0.8751352674328758,0.0098238762423284,0.0191560737869936,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.7319728036715203,14.988755002605105,175.0,0.878592311918889,0.0202473848182682,0.0385467468816485,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.988549618146862,175.0,0.8815791320869921,0.0207511859682295,0.0395601006350473,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.988549618146862,175.0,0.879989737461284,0.0239118999967955,0.0438613869995525,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6552614738610002,14.988549618146862,175.0,0.8750355833450718,0.0389835174865631,0.0638870566916176,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.5759112203987139,14.988549618146862,175.0,0.8391732834283816,0.0651977944562993,0.1060715862900878,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.4965686769344078,14.988721476220237,175.0,0.747332943866318,0.1022074210927228,0.1663814529738068,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.4172594651882796,14.990233725029611,175.0,0.6426092625568417,0.1234165540742545,0.203304425177207,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3379856268264812,14.993305965117544,175.0,0.6334196879874451,0.1230053768499203,0.1985848165207863,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.997938197302574,175.0,0.6288420893232037,0.1212528673947494,0.1952838880923804,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,15.0040771048225,175.0,0.5101761629222467,0.166086613356711,0.2046343782009963,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.2618651598020871,15.009695108574306,175.0,0.435287574216441,0.2227605894688081,0.2869336008561451,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1848953197379135,15.013756347343588,175.0,0.380463828775654,0.2530354341504603,0.3245281464101336,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1078224976504738,15.016258738342003,175.0,0.341032737213789,0.2715154236181815,0.3433016882761592,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0306464636956026,15.017200194279212,175.0,0.3338196104264773,0.2729969065391329,0.3421743790079938,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,175.0,0.3272763570661837,0.277385778192399,0.3466143112775964,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,175.0,0.3332034685718018,0.2748934312489018,0.3429047710176161,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,175.0,0.3302702289765347,0.2756535550641683,0.3410188902630889,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,12
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,175.0,0.3294603112201519,0.2752676457028972,0.3385208466390008,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,175.46966019417476,0.318441167693884,0.2748030938102465,0.3337588112996962,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,178.54455445544554,0.2087240908107954,0.3140699905318805,0.3726278381079019,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,184.3275217932752,0.0545434315058664,0.365200443488143,0.399188124996052,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,192.6098484848485,0.0,0.3785739323883308,0.3620185642449683,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,202.97324840764333,0.0,0.3738728285917284,0.3024329193484327,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,212.87484035759897,0.0,0.3625394183984713,0.2554982753369851,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,219.638166047088,0.0,0.4172707671250478,0.2532148301355577,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,223.74658385093167,0.0,0.3851007977562364,0.2776424234793252,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3835965465996873,0.2794767097454416,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3837804069849099,0.2820287980967834,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3837900551368694,0.282364566461679,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.38293660293048,0.281198670792266,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,13
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3824995562655983,0.2833342026868284,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,2.001019108286073,225.0,0.2779363378208211,0.3118329250242161,0.3490480946536141,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,3.828392015128657,225.0,0.0341877980032156,0.3895718227589699,0.4114162114841534,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,6.862022588370564,225.0,0.0,0.388831485584359,0.3144782767429482,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,9.895795501921612,225.0,0.0,0.3922269263819384,0.2887589498523368,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,12.929456209189992,225.0,0.0,0.4215995017457262,0.2612444490055242,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.011933436062463,225.0,0.0,0.4161201164637245,0.2569674143762622,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,14
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.007090287281244,225.0,0.0,0.3627598949747658,0.2492857642246498,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0013800461289313,15.00083853511569,225.0,0.0,0.2829998447500373,0.21233394990706,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0787427837645361,14.995418936496208,225.0,0.0,0.3036588602599316,0.3035780201744664,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1560018273064263,14.991565804257334,225.0,0.1040433612649762,0.3641176601789774,0.4041392574348491,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.2331574081859099,14.989277040263003,225.0,0.0,0.3715342899797553,0.4303296738522168,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3102097571247901,14.988549618146862,225.0,0.0706318587968979,0.3677208605127037,0.4074210391241613,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.988549618146862,225.0,0.0651860169720487,0.3811685255638767,0.4391259385203663,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.988549618146862,225.0,0.0,0.3754817977083706,0.4371979504949264,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3881922363683478,14.988549618146862,225.0,0.056026368831108,0.3723731147982082,0.4360230824146199,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.4675417256452048,14.988549844065346,225.0,0.0751842945852147,0.3673777332236037,0.4287976203884874,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.5468669396381716,14.98935638205694,225.0,0.125007006941936,0.3819696732992355,0.4436345087158677,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6261567802375296,14.991722912145631,225.0,0.1209323529702181,0.3786729903107382,0.4383333584866271,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.99564943351288,225.0,0.1202016848651507,0.3779282544075495,0.4366238389490881,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,15.001135946158684,225.0,0.1192943184538118,0.3748010534741537,0.4262095418317788,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.7033489201962158,15.007346336824412,225.0,0.0594658429770816,0.3399441231645057,0.3681818385369965,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.7802722484708069,15.012112083968532,225.0,0.1024596799011675,0.3326729973924701,0.3391366688428688,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.8572984550278592,15.015319926101256,225.0,0.152821759267201,0.3146049540228869,0.2833022298306441,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.9344277693840184,15.016967778183243,225.0,0.1998937739917184,0.3083417845573761,0.2064741199548004,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,225.0,0.2041943357040643,0.3043316599684647,0.1912950618301122,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,225.0,0.2049870315844392,0.3033414644133524,0.1871430328676913,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,225.0,0.2035696490675436,0.30274190515971,0.1886320842200143,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,15
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.01720841288261,225.0,0.0,0.3051272515728414,0.1934515770654127,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,2.022659531064619,225.0,0.7110139330490327,0.0335534882266807,0.0422567078207293,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,5.056290104306527,225.0,0.5014127166954715,0.1563057326659156,0.1061944250853347,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,8.089946059152453,225.0,0.3388893946821735,0.2514124516555716,0.1480542130033475,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,11.123730913129748,225.0,0.2216414025336619,0.2986806886641514,0.1691586131656162,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,14.157307200861167,225.0,0.2034670513119815,0.3060401803594972,0.1752038342217833,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.010161461623284,225.0,0.0,0.3035347110500705,0.1734072446193472,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,16
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],1.0,15.004685464828071,225.0,0.1771818935038014,0.3068132734471065,0.2489397817799664,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.9672939584828614,14.99845604953407,225.0,0.1198873178556242,0.3227105839967515,0.3253702530259234,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.8899732201920615,14.993670749800003,225.0,0.1269718494606005,0.3474751467037917,0.3803499899876806,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.735642313459382,14.988794903820237,225.0,0.0876862696365734,0.3887597298531061,0.457548512900346,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.988549618146862,225.0,0.0960997497364424,0.385310155397534,0.4517940408524016,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6698473282442748,14.988549618146862,225.0,0.1144240646962782,0.3805783481829831,0.4486557906223503,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.6590400573592036,14.988549618146862,225.0,0.1012962099778203,0.3736418113504285,0.425552556128488,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.5796898038969173,14.988549618146862,225.0,0.0,0.3694605265479169,0.4077287653366521,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.5003461883943423,14.98868837588816,225.0,0.0,0.3700036185640404,0.4219013014686927,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.4210352921982482,14.99012633885286,225.0,0.0,0.3730374205765057,0.4277763668601478,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3417597694004023,14.993124294323934,225.0,0.0225399426402562,0.3734968369750566,0.4267610540031255,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,14.99768224066429,225.0,0.0,0.3620888870005271,0.4144441516002946,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.3301526717557252,15.003770785142478,225.0,0.0,0.3322440047420151,0.3727298719627969,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.2655278254726237,15.009462868874834,225.0,0.0,0.2435789352870326,0.1927491985788467,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1885628835991453,15.01359828666864,225.0,0.0,0.3262495861286005,0.25053178740846,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.1114949706260302,15.01617495573555,225.0,0.0,0.3910081379720593,0.2531288947354007,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0343238567383758,15.0171907891945,225.0,0.0,0.3936719616156855,0.2548889831734049,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.370990279972077,0.271407326697633,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3714829707930608,0.2692595131627825,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3755613051400026,0.2771057896964016,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
1,"1,1,1,3,3,3-Hexafluoropropan-2-ol",2-Methyltetrahydrofuran [2-MeTHF],0.0,15.01720841288261,225.0,0.0,0.3751336974617046,0.2747698039404247,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C(C(F)(F)F)(C(F)(F)F)O,O1C(C)CCC1,[1.0],[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,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=C1,17
2,Cyclohexane,IPA [Propan-2-ol],0.0,2.001019108286073,175.0,0.9229602832030966,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,3.969094690290831,175.0,0.9214400117562372,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,7.002725263532739,175.0,0.9225244219456712,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,10.036504187098672,175.0,0.8888638614402135,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,13.070155220952984,175.0,0.8748092478344119,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01174338295641,175.0,0.8673447655676538,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,18
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.00682771720676,175.0,0.8438012647279461,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.0049705000996266,15.000552496530872,175.0,0.8519077144463872,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.082328423174102,14.995205598643224,175.0,0.8668076430786121,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.1595826629081239,14.991425069524666,175.0,0.8808293360786813,0.0034213765242849,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.236733450699701,14.989208811448409,175.0,0.8951903769906062,0.0046019408100536,0.0061543011176828,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.3137810172284534,14.988549618146862,175.0,0.9078003360952196,0.004468916910167,0.0060963999488499,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.988549618146862,175.0,0.9073917967344052,0.0047166334436551,0.0064330228394922,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.988549618146862,175.0,0.9194345878522874,0.005170255833548,0.0076938346229013,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.3918725766955979,14.988549618146862,175.0,0.9432555410387236,0.0069380110471079,0.0090138510646057,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.4712216868953582,14.9885527531751,175.0,0.9463352161356068,0.006990758548322,0.0097125385832647,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.5505452602390501,14.98943164483535,175.0,0.9465057184347372,0.0086632887798699,0.0104915779118962,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.6298334601937731,14.9918705285927,175.0,0.9511853630524368,0.0090028688899925,0.010521514527752,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.995869404037876,175.0,0.9532448566445112,0.0089313214228794,0.0111383369794393,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,15.001428270761608,175.0,0.9571138091463088,0.0102381820459549,0.0127033631995671,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.7069144255814572,15.007601799470647,175.0,0.9640476200158,0.0108326016610234,0.0126879942982472,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.7838425203806904,15.012295335782255,175.0,0.9677525941794196,0.0115936789019039,0.0131327412720203,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.8608894933283022,15.01496475748354,175.0,0.9723425831958205,0.0130976263887018,0.0147299648386406,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],0.9380740792280556,15.01455072666431,175.0,0.967591990043686,0.0134544970592706,0.0156319726457129,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],1.0,15.011198957063243,175.0,0.9684826769983516,0.0135387435788437,0.0161335453978281,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,19
2,Cyclohexane,IPA [Propan-2-ol],1.0,15.006082268882892,175.0,0.9697396799290426,0.0133744200877521,0.0168859893576982,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.9850776647291744,14.999777216326038,175.0,0.970976527539415,0.0124117601010573,0.0147891230797078,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.9077330853562188,14.994631826266414,175.0,0.966207916952108,0.0108973769543157,0.0127028955271866,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.8304921595366753,14.99105253506059,175.0,0.9586702344362792,0.0094158259817684,0.0115612083031664,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.7533546559658035,14.989037246004957,175.0,0.9539723955671487,0.0085678545486154,0.0106831926674784,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.676320344038916,14.988549618146862,175.0,0.9551322398612538,0.0085706424981558,0.0095202226445822,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.988549618146862,175.0,0.9554551278553706,0.0082641553505545,0.0106175352157769,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.988549618146862,175.0,0.9482092019113048,0.0077334920639925,0.0095393063018782,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.597925247859251,14.988549618146862,175.0,0.9469427996653876,0.0066952192069033,0.0081815743319262,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.5185775863252469,14.988578362181215,175.0,0.9505429821090003,0.005859716311282,0.006471951729188,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.4392585609973903,14.9896578244352,175.0,0.9317054025128269,0.0047440604961003,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.3599749090445847,14.99229727837701,175.0,0.9299165621442405,0.0041373763156393,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.99649672441592,175.0,0.9243759046638048,0.0037740452673005,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,15.0022561764672,175.0,0.9203109677699516,0.0032703920513769,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.2832005752464695,15.00829246133435,175.0,0.9022856403495144,0.002535888518384,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.2062592647080748,15.012785799490302,175.0,0.8873407536883559,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.1292150357823831,15.015720868382232,175.0,0.8560096529296064,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.0520676588272898,15.01709558174298,175.0,0.8284103287979094,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,175.0,0.8210416674682588,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,175.0,0.8271462619263016,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,175.0,0.8379545891934221,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,20
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,175.0,0.833255584267303,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,175.13979706877114,0.8352968986207219,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,177.2520045819015,0.8287026667876526,0.0,0.0,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,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,181.77949940405244,0.7663808917915124,0.0,0.0059451205050448,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,189.7134292565947,0.6740703251524566,0.0,0.0081438894215757,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,200.5695443645084,0.5433180366741395,0.0675779378508288,0.0422228515349093,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,211.3167259786477,0.3998001481503504,0.1475543737223326,0.083962582431465,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,218.31372549019608,0.3161905557257596,0.1898239947090438,0.1058794750142438,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,222.83352468427097,0.2824590205598734,0.2000033489272795,0.111077897937777,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,224.90813953488373,0.2591166655721071,0.1712850214954268,0.0965460203947633,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.235566247144141,0.1597574127661074,0.0920164426697365,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2522814645583094,0.1525339923133206,0.0883029349459459,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2490640512938829,0.1467035643894638,0.0853782711665576,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2528958218304048,0.1434947750321783,0.0836245341163434,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.017030293347489,225.0,0.2292552231874948,0.1331437283421314,0.0780064900902454,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.015502226970057,225.0,0.2391072204323204,0.1306120871283275,0.0768071476185812,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.012410652843757,225.0,0.2473068528388809,0.1259958911095334,0.0751167282056004,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.00775557178713,225.0,0.2701940176719548,0.1717176593199206,0.0845173728652374,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,21
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.00159607949172,225.0,0.2816891816042476,0.3444198733436556,0.1780230447712071,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.0694426424939573,14.995987915881416,225.0,0.2610104856208576,0.3671227748668222,0.2408739402791656,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.1467141466947036,14.991946471172923,225.0,0.2418857662390494,0.3837039696496316,0.287585642357244,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.2238821604274928,14.989469647025544,225.0,0.2363080734590268,0.3850236684569739,0.3471849837834957,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.3009469145065295,14.988555349191302,225.0,0.2459188826495724,0.4149821297165841,0.3382736313439727,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.988549618146862,225.0,0.2464809998060928,0.4092365800051984,0.3383457975729221,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.988549618146862,225.0,0.2401989456213101,0.4342735479441324,0.3787249906588275,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.3786475344518835,14.988549618146862,225.0,0.2201570876598245,0.4124602092599255,0.3739209413269922,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.4579976522670343,14.988549618146862,225.0,0.2056253871779478,0.4094549615636803,0.4262730685486607,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.5373271211716882,14.989176830067665,225.0,0.1896841216865849,0.402380438955618,0.409718230250005,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.6166212166827337,14.991355715210377,225.0,0.1907443329604196,0.4208141511185216,0.394631644216024,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.995094592040914,225.0,0.1887397974701944,0.4295062558667875,0.4027855763169832,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,15.000393460150008,225.0,0.1797830258662033,0.4071988490919876,0.4207313300532979,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.6941030634604697,15.006668217120025,225.0,0.1646634995279982,0.4070911171926918,0.4239123659955575,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.771014032375394,15.011621217945503,225.0,0.1513398029740555,0.4094892640837331,0.4279672804273617,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.8480387868635708,15.014729938343407,225.0,0.1399645185299811,0.4116671309944051,0.4308168537882728,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],0.9252004079093976,15.014836845875834,225.0,0.1334118318429128,0.4079985625829137,0.4285230435908079,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],1.0,15.011899730825462,225.0,0.1333179778321307,0.4099651861614509,0.4305249647574057,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,22
2,Cyclohexane,IPA [Propan-2-ol],1.0,15.007043627338136,225.0,0.1411256089154435,0.4181356662243708,0.4363048083697732,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.997978521664773,15.000787188182583,225.0,0.1544908718453433,0.4142298499049062,0.4312793448398453,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.9206166441646494,14.995380577420292,225.0,0.1683730121725649,0.4113016666572925,0.425483312260026,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.8433584588335773,14.991540415849158,225.0,0.1794273972651444,0.4029580483395228,0.4129292134624275,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.7662037342544131,14.989264605128485,225.0,0.184257265634908,0.4004474375118875,0.4074487661412631,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.6891522397014622,14.988549618146862,225.0,0.184839410154061,0.398269900269033,0.4049446289224084,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.988549618146862,225.0,0.1881700870314421,0.399830596700474,0.4047976398012063,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.6698473282442748,14.988549618146862,225.0,0.19892361186898,0.3915706889996036,0.3896772781240449,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.6111502901029654,14.988549618146862,225.0,0.2103907065650166,0.3932803708686238,0.3827057109637385,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.5318008629571174,14.988550117459454,225.0,0.226206263110993,0.3941479942431514,0.3686587037504774,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.4524759420590201,14.9893695810988,225.0,0.2438273632391882,0.4097750179175758,0.364794513568593,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.3731863945545312,14.991749036835245,225.0,0.241876579553554,0.4048508000436238,0.3556215067956769,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,14.995688483850245,225.0,0.2370261939962842,0.3981962167763654,0.3509596965942465,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.3301526717557252,15.0011879221438,225.0,0.2461304656050866,0.4005868330262562,0.3307302135735447,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.2960141371328884,15.007392219149551,225.0,0.2557363871574564,0.3956921815755887,0.2905140328459648,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.2190899573880106,15.012145066839366,225.0,0.2731097927152946,0.3805714900898482,0.236663554873399,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.152339124548164,15.015004090219009,225.0,0.2912066604441496,0.3436811755999496,0.1837648528014484,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.0649327278138796,15.016974909553936,225.0,0.3023682162344618,0.2238586606180312,0.1411948835657566,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.264724590196699,0.161927380756665,0.1055914737388714,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2353966639422481,0.1435068743540407,0.0965467484935368,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2502720234004869,0.1349904354863816,0.0918988563481167,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
2,Cyclohexane,IPA [Propan-2-ol],0.0,15.01720841288261,225.0,0.2294212306653996,0.1264089459326724,0.0862253123834071,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,C1CCCCC1,CC(O)C,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.C1CCCCC1>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC(O)C>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,23
3,Water.Acetonitrile,Acetonitrile,0.0,2.001019108286073,175.0,0.8620898840900559,0.0,0.0,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,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,3.976259836821328,175.0,0.9465665093703916,0.0139842900484564,0.0132177640976957,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,7.009890410063235,175.0,0.8986948313421083,0.0454606883758861,0.043115206727355,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,10.043669627538064,175.0,0.8446417176908825,0.0756334795080049,0.0708911184281644,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,13.077320168781624,175.0,0.7535103896424831,0.120919261684962,0.1057511486684875,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,15.011753299631891,175.0,0.7369887807591691,0.1303766832465718,0.1128828707737195,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,24
3,Water.Acetonitrile,Acetonitrile,0.0,15.006814256025793,175.0,0.7341950065218866,0.1299198393901294,0.1117062879700558,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,25
3,Water.Acetonitrile,Acetonitrile,0.0047847161836571,15.000567214792682,175.0,0.785175013497793,0.1051452323653382,0.0901416657586609,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,25
3,Water.Acetonitrile,Acetonitrile,0.0821428883763624,14.995216555280422,175.0,0.8229808391862333,0.0887572642286027,0.0787778017400054,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,25
3,Water.Acetonitrile,Acetonitrile,0.1597650075122544,14.991417992791868,175.0,0.8554015260160865,0.0759269958424118,0.0694339294524849,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,25
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3,Water.Acetonitrile,Acetonitrile,0.5006347935634048,14.988685992284443,225.0,0.0,0.4310779097018591,0.317342732195324,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.4209461817629268,14.990128832550909,225.0,0.0,0.4313436671203911,0.3197195390170101,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.3420481171887911,14.993110559953491,225.0,0.0,0.4325730640212571,0.3199131872997103,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.3301526717557252,14.997688240600835,225.0,0.0,0.432409214021867,0.3186723740909396,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.3301526717557252,15.003778055051953,225.0,0.0,0.4366588354982296,0.3295930525773844,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.2654413892446219,15.009468390371694,225.0,0.0,0.4400106924595025,0.3443722574676888,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.1884763317807025,15.013602057501885,225.0,0.0,0.4448776838655025,0.3632348730596078,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.1117755379321699,15.016168409010788,225.0,0.0,0.4517091862171876,0.3856220672027708,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.0346047999227302,15.017189924810737,225.0,0.0,0.4529975771414184,0.3922800435770865,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.0,15.01720841288261,225.0,0.0,0.4490791080266597,0.4004102276411865,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.0,15.01720841288261,225.0,0.0,0.4544366688384353,0.3952927055796836,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.0,15.01720841288261,225.0,0.0,0.4567286782549182,0.3957853112398319,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
3,Water.Acetonitrile,Acetonitrile,0.0,15.01720841288261,225.0,0.0,0.4558193597455918,0.3944715799014772,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O.CC#N,CC#N,"[0.6, 0.4]",[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,32
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,2.001019108286073,175.0,0.9982307948637604,0.0,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,3.97420852471555,175.0,0.9972241840521716,0.0,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,7.007839097957458,175.0,0.990056760872201,0.0,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,10.041618231531402,175.0,0.9853426988677996,0.0,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,13.07526891366706,175.0,0.9932091766268124,0.0035550678319194,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.011736412225218,175.0,0.9954358576101612,0.0044814758952422,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,33
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.006818110759925,175.0,0.9919639605878072,0.0043831769499417,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0051009908260428,15.000542164034414,175.0,0.990746456945444,0.0042348759610376,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0824587389288042,14.995197908410772,175.0,0.9807752445054276,0.0068677849996152,0.0051913608953984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1597128040713703,14.991420018077406,175.0,0.9755510719864924,0.0079820335421581,0.0068436467264369,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.2368634176732585,14.989206395102885,175.0,0.9713363818507752,0.0096715810498671,0.0087167014877427,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3139108103995101,14.988549618146862,175.0,0.9684097011027016,0.0091576593716392,0.009368764841788,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.988549618146862,175.0,0.9720161434576448,0.0096948417324303,0.0094517457606186,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.988549618146862,175.0,0.9675058791662672,0.0110494726951523,0.0102651714843098,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3920063385514343,14.988549618146862,175.0,0.9554599184793052,0.0122943017731108,0.0128244659613971,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.4713554335478407,14.988552922000054,175.0,0.9462376170548564,0.013191463774574,0.012279292779737,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.5506789472565276,14.989434443441496,175.0,0.9363607249702086,0.0160688690855161,0.0140633246017808,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6299670875762453,14.991875957184677,175.0,0.9298459100862264,0.0176236902922545,0.015817368775168,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.995854710741696,175.0,0.9298850382196344,0.017208376869179,0.0150672259096459,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,15.001438958506697,175.0,0.923424399506496,0.0170446719889472,0.0167588358507379,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7070440179233971,15.007611021201228,175.0,0.9131148015942588,0.0193271544379955,0.0173770934342895,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7839722859684298,15.01230193284755,175.0,0.9014843624435208,0.020688834201543,0.0194896897165285,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.861003443321349,15.015434839006048,175.0,0.8915442873755499,0.0218288618525724,0.0197778799230544,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,0.9381377195147812,15.017007655251293,175.0,0.8791648272677012,0.0227778423070806,0.0220620919674368,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,175.0,0.878237424091501,0.0234617247630342,0.0224264657532598,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,175.0,0.8786779403176639,0.0243422711036917,0.0247734395222742,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,175.0,0.8775984821220352,0.0255822473886403,0.0252600237745032,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,34
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,175.0,0.8800065449936612,0.0263997885335598,0.0260858450403435,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,2.168476040600354,175.0,0.9894947261964088,0.0,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,5.20210661389342,175.0,0.9734034571465202,0.0057387803065501,0.0091133816644726,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,8.235774756212777,175.0,0.9434474119816324,0.0152216101770327,0.0189513233751585,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,11.269549584852712,175.0,0.9055080471378624,0.0246071421591341,0.0273691957450882,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,14.303115847656043,175.0,0.8822367437922438,0.0283000434233342,0.0284590026441523,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.009956712356145,175.0,0.88111970269978,0.028949621067438,0.0292751345764597,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,35
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.00438286911958,175.0,0.8803907762059147,0.0296763813146244,0.0297037887475713,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.9635750346981,14.99819018645212,175.0,0.8959527562972773,0.0272938744668819,0.0280205661628308,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.8862592814307685,14.993480188786634,175.0,0.9118862683142884,0.0260740251147588,0.0264964513337222,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.809047117368544,14.99033570676147,175.0,0.9245018755494914,0.0240331708066635,0.0260352156338431,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7319383113969615,14.988754644491564,175.0,0.928636799530991,0.0222210336582593,0.0226422295249356,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.988549618146862,175.0,0.9324158962232024,0.0214930778296088,0.0222608461830492,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.988549618146862,175.0,0.936001783593384,0.0212573647636382,0.022623087573568,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6552259551761167,14.988549618146862,175.0,0.9467990085516824,0.0204106979565719,0.0220612091801008,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.5758757017138304,14.988549618146862,175.0,0.9557279221938222,0.017347058414346,0.0176612843825133,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.4965331687067596,14.9887218040476,175.0,0.963647397427549,0.015298191662178,0.0161927072954437,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.4172239727995849,14.99023475107606,175.0,0.9747782566216546,0.0131035007252922,0.0125913450202635,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.337950150267461,14.993307689792346,175.0,0.973970155239994,0.0117700299133771,0.0113831429846024,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.997940619787189,175.0,0.974871523634904,0.0131551682668849,0.0119075775829403,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,15.00407996747981,175.0,0.9820768788838103,0.0100663428793425,0.0097446927329867,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.2618307296363099,15.00969727485426,175.0,0.9892819648486642,0.0081175713223279,0.0066317229974343,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1848608435275751,15.013757816223006,175.0,0.9955463317912456,0.0059710207556345,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1077879752953669,15.01625950900234,175.0,0.9978443696614004,0.0044774329827955,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0306118950907354,15.01720026590192,175.0,0.9972671141965976,0.0040159913294855,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,175.0,0.9937603613062312,0.0042500131283786,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,175.0,0.9926292834951396,0.0042979691386885,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,175.0,0.9958049561510348,0.0041951332562757,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,36
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,175.0,0.9946379475420878,0.0049404343278613,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,175.41970310391363,0.99505662508895,0.0048297791831121,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,178.5682119205298,0.981220165846864,0.0107361160962392,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,184.33835616438355,0.919377914447105,0.0340859936413067,0.0170509992308474,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,193.24701195219123,0.7342950631134683,0.106570778761316,0.0589298204960956,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
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4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,213.23157894736843,0.2493736410147114,0.278455621126233,0.1521579224839936,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,219.5062656641604,0.1663138296670067,0.2998398532625357,0.157173841972486,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,223.68825910931173,0.1540960083808131,0.3035744990791709,0.1597003915607849,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1518756241893927,0.3025013550380451,0.1627003489246071,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1494618824313723,0.3031683627913786,0.1638109871483627,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.148250894110012,0.30269280950458,0.1639760230623565,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1517265507009746,0.2998535599285664,0.1609662061622306,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,37
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1523414012355918,0.2995501312723123,0.162686605421017,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,2.001019108286073,225.0,0.87089817775474,0.0513318050192666,0.0285595013573613,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,3.829749925955639,225.0,0.6423703867949176,0.1413806011907381,0.0910159006886782,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,6.848934639367599,225.0,0.3613579443515385,0.2378196983072951,0.1460333486494484,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,9.897153473013988,225.0,0.2011720914945887,0.2816478783098991,0.1574332133654867,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,12.930814086814737,225.0,0.1535802960104403,0.2956890848889688,0.1572772598729467,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.011931617868868,225.0,0.1566189768167064,0.2938427339761926,0.1601093676132484,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,38
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.00708776902684,225.0,0.1559770592019978,0.2946320125080331,0.1578567181286087,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0014146983940115,15.000835758610265,225.0,0.1534608999466692,0.292988408002881,0.1583272467639763,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0787773895628152,14.995416861484046,225.0,0.1392359573643441,0.3224851742667008,0.1653346149380203,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1560363867389671,14.99156442991989,225.0,0.058199681399614,0.1550960073709183,0.0598612226098989,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.2331919213625156,14.989276365577098,225.0,0.0,0.0646709489717024,0.0099075280158684,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3102442241459673,14.988549618146862,225.0,0.0,0.0721801882647747,0.0112105531629144,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.988549618146862,225.0,0.0,0.0705545396020135,0.0118243895212188,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.988549618146862,225.0,0.0,0.0568117084628574,0.0048018650791685,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3882277550532299,14.988549618146862,225.0,0.0,0.0408784016781413,0.0015384949207055,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.4675772410407436,14.988549856138889,225.0,0.0,0.0511883175754737,0.0122400550719501,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.5469024391947569,14.9893570925542,225.0,0.0,0.0471109042612661,0.0134092794963171,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6261922639690798,14.991724320452704,225.0,0.0,0.0363401466006478,0.0176004242044044,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.995651540448309,225.0,0.0,0.0325430011551757,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,15.001138751313192,225.0,0.0,0.0167734534037466,0.0397855143365075,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7033833295583831,15.007348818244282,225.0,0.0,0.0156528519009069,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7803067038404395,15.012113868397137,225.0,0.0,0.0111941607857753,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.8573329564915272,15.015321012924687,225.0,0.0,0.0115916734531112,0.0223942302538003,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,0.934462317051095,15.016968166173683,225.0,0.0,0.0111393822186412,0.0202776551951582,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,225.0,0.0,0.0121053743184856,0.0203877657497792,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,225.0,0.0,0.0117505186880042,0.0195119482963264,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,225.0,0.0,0.0114392669897669,0.0194029650797541,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,39
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.01720841288261,225.0,0.0,0.0124126040242669,0.020434615166131,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,2.0240174418916013,225.0,0.5471041343952179,0.0404265140723499,0.0237034822755617,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,5.057648015133509,225.0,0.0,0.0425396839381109,0.0,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,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,8.091304085752427,225.0,0.0,0.0253302507264675,0.023468930485244,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,11.12508884610861,225.0,0.0,0.0124652430159174,0.0212354763685143,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,14.158665040577034,225.0,0.0,0.0084612033834547,0.0226925037481442,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.010159360008402,225.0,0.0,0.0083170377994411,0.0207153568362729,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,40
4,Acetonitrile,Acetonitrile.Acetic Acid,1.0,15.004682663357016,225.0,0.0,0.007974625588723,0.0207778041451229,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.9672593250342824,14.998453556654567,225.0,0.0,0.0088235165076532,0.0212798366046662,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.8899386331721411,14.993668958413764,225.0,0.0,0.0090405964637969,0.0208124843512767,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.812721541535589,14.9904499756758,225.0,0.0,0.0111211823157101,0.0236481558018858,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.7356078189806627,14.988794512146342,225.0,0.0,0.011216121323831,0.0234184322996442,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.988549618146862,225.0,0.0,0.0128634571864838,0.0255626781937004,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6698473282442748,14.988549618146862,225.0,0.0,0.0132470417714138,0.0254015634930074,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.6590045386743215,14.988549618146862,225.0,0.0,0.0183705843314405,0.0270842461995853,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.5796542852120351,14.988549618146862,225.0,0.0,0.0229310059061315,0.026664811947328,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.5003106794151106,14.988688670564445,225.0,0.0,0.0292549125705103,0.0266976960683493,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.4209997990579701,14.9901273321575,225.0,0.0,0.036787107393434,0.0255231268902069,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3417242920851592,14.993125985438382,225.0,0.0,0.039939149963028,0.026707446452792,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,14.997684630407091,225.0,0.0,0.0419438526484217,0.0255393976704507,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.3301526717557252,15.003773681155508,225.0,0.0,0.0442002753349513,0.0214059081418694,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.2654933974965426,15.009465068510508,225.0,0.0,0.0726083609657797,0.0126295587121487,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1888951533409116,15.013583791460404,225.0,0.0887188438277203,0.1424857172875622,0.0584538499792475,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.1114604504639309,15.016175759546968,225.0,0.1383116252769689,0.3055231019607872,0.2903651729748759,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0342892903349568,15.01719089396829,225.0,0.1425724260361163,0.3300688646109471,0.2792187100986996,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1443619434925323,0.3181757400494419,0.2871589862829483,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1450635947091968,0.3165662343343297,0.2829753209776567,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1448126851134346,0.3107731503216388,0.275725703059303,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
4,Acetonitrile,Acetonitrile.Acetic Acid,0.0,15.01720841288261,225.0,0.1469938305834888,0.2969703524387492,0.2589451843177174,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC#N,CC#N.CC(=O)O,[1.0],"[0.5, 0.5]",C=CCOC1=C(OCC=C)C=CC=C1.CC#N>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CC#N.CC(=O)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,41
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,3.967982359097278,175.0,0.9072532726843632,0.0,0.0052856001919542,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,42
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,7.001612932339185,175.0,0.9007240638033572,0.0,0.0079580439025314,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,42
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,10.035391810168903,175.0,0.9040106562602448,0.0,0.0081001531506566,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,42
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,13.069042920403716,175.0,0.9075308908147712,0.0,0.0070570332213111,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,42
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.011744898492909,175.0,0.9044102730523128,0.0,0.0068387296653658,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,42
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.006829806134192,175.0,0.9021317805517304,0.0,0.008093679232734,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0049421164792773,15.00055474466535,175.0,0.9054660411669236,0.0,0.0062611044577745,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0823000776243253,14.995207271749678,175.0,0.9104035477341036,0.0,0.0067396465418612,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.159554355329334,14.991426169035549,175.0,0.9150358205763583,0.0,0.0065283369541531,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.2367051810060953,14.98920933777299,175.0,0.9209268333581035,0.0,0.0062065550307051,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3137527853479627,14.988549618146862,175.0,0.9210252720377556,0.0,0.0062047672382441,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.988549618146862,175.0,0.9180529726483116,0.0,0.0052201331361227,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.988549618146862,175.0,0.9224048813155072,0.0,0.0057170145363454,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3918434816026619,14.988549618146862,175.0,0.9286933465614148,0.0,0.0043944203617122,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.4711925951056837,14.988552716749837,175.0,0.9323680451787828,0.0,0.0037937038178628,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.5505161814118936,14.989431036656242,175.0,0.9455652894917708,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6298043943337738,14.991869348659748,175.0,0.9496773654725204,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.995867651941808,175.0,0.9480861041054452,0.0,0.0032857388185963,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,15.001425946502422,175.0,0.9563926916252768,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.706886237455563,15.00759979301165,175.0,0.9657373654209837,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.7838142945693436,15.01229390005392,175.0,0.976064043827932,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.8608452405110343,15.015430006315,175.0,0.9865359034100192,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.9379793048345484,15.01700602634628,175.0,0.9910486788413908,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,175.0,0.995126712124939,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,175.0,0.9914348396488052,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,175.0,0.9905036360293664,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,43
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,175.0,0.988067623970725,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,2.16224987503324,175.0,0.9954664868339268,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,5.195880448275148,175.0,0.9910283285712126,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,8.229548079975757,175.0,1.0000000894993497,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,11.263323336919484,175.0,0.9886097800840592,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,14.296890027668496,175.0,0.9881241587883376,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.00994380389784,175.0,0.9901249841795592,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,44
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.004395863525133,175.0,0.987814450266027,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.963733822758943,14.99820146436832,175.0,0.98528486795658,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.886417856639618,14.993488251457164,175.0,0.9670622814162226,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.8092054802137455,14.990340558688333,175.0,0.9582360622791076,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.7320964623475389,14.98875628976748,175.0,0.953476019618054,0.0,0.0,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,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.988549618146862,175.0,0.9512134703130668,0.0,0.0027705461406941,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.988549618146862,175.0,0.948685756780088,0.0,0.0034074677795943,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6553888121248894,14.988549618146862,175.0,0.9414852389551672,0.0,0.0031085213195796,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.5760385586626031,14.988549618146862,175.0,0.9321336204029368,0.0,0.0035288680984012,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.496695977767519,14.988720303244918,175.0,0.9183282497185808,0.0,0.0032712971980688,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.4173867092489031,14.990230048329067,175.0,0.9187557292133768,0.0,0.0045880047600435,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3381128141331745,14.993299785510317,175.0,0.9162127754008288,0.0,0.0064030429861612,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.997929513765484,175.0,0.9160942699388392,0.0,0.003264020827631,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,15.004066839037478,175.0,0.91950012730953,0.0,0.0055530308850666,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.2619885954271346,15.009687339761513,175.0,0.9005978868417094,0.0,0.0061676994460107,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.1850189204423816,15.013751078367932,175.0,0.8969569385750443,0.0,0.0053878504049736,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.1079462638011126,15.016255972477666,175.0,0.8927316544253714,0.0,0.0072088432116532,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0307703956646607,15.01719993500501,175.0,0.8882420756025653,0.0,0.0071160092380639,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,175.0,0.8976847685099559,0.0,0.00625574731803,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,175.0,0.8889298875183065,0.0,0.0084053158483406,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,175.0,0.8867896858350345,0.0,0.0077983083987073,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,45
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,175.0,0.8888038600915127,0.0,0.0080407959013659,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,175.4950980392157,0.903229068292458,0.0,0.0076769218070219,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,178.60901339829476,0.8960232123969853,0.0,0.015247655062433,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,183.94019138755985,0.8571469763601536,0.0212368410691708,0.0269733263678441,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,192.5744680851064,0.7596099026717006,0.0815624717957363,0.0658862562146764,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,203.76518691588785,0.5452435324774992,0.1901435250558586,0.1321683479551352,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,213.2654249126892,0.3689905544580034,0.271242559746531,0.1879038433288753,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,219.9816513761468,0.2765001006737134,0.3041060271646686,0.2055682423130532,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,223.6606334841629,0.2426711358939224,0.3151322326553477,0.206199905779499,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2369238081002199,0.3128173331193472,0.2034242732534136,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2411487119695943,0.3123489709030879,0.2012582548828147,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2400072426676567,0.3098578883069475,0.1977334951355428,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2384803549007772,0.3098172096171079,0.1961559818875796,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,46
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2397130849321148,0.3092653407939895,0.2041852395646933,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,2.001019108286073,225.0,0.8042584368799665,0.0306921073278563,0.0326663359463828,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,3.8235237603885257,225.0,0.6573124532848508,0.1135499318042094,0.080205260514162,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,6.857154333630433,225.0,0.4470911433612645,0.2236337577480103,0.1428254924330664,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,9.890927031290175,225.0,0.3005936550948653,0.3011367717454807,0.188431449172209,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,12.924588073036604,225.0,0.2316801037849534,0.3065361170194428,0.1978633480294402,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.011939951682509,225.0,0.2307658827897033,0.3062888444944266,0.1962304913950908,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,47
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.007099311742422,225.0,0.234808238950599,0.3005479639441142,0.1913248677242859,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0012558138971659,15.00084849230916,225.0,0.2480015397022035,0.3022728753544459,0.1933207723303535,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0786187181173761,14.99542637830018,225.0,0.256278618945756,0.3042025138637479,0.1969946680707329,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.1558779278740731,14.991570733945991,225.0,0.2588095800194664,0.3093144694732933,0.1989550497861796,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.2330336746085663,14.989279461110527,225.0,0.2711915908143932,0.3084828108617906,0.1954161300312388,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3100861890256154,14.988549618146862,225.0,0.2655460553881225,0.3088155062294261,0.1929472221862098,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.988549618146862,225.0,0.2779087647801504,0.3050247772010868,0.1925549250764012,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.988549618146862,225.0,0.2993028461944867,0.2984440690111077,0.1862670525393576,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3880648981044571,14.988549618146862,225.0,0.3223479220350469,0.2928253098928086,0.1865516569499034,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.4674143991375848,14.988549803547356,225.0,0.3399040417127373,0.2879133320040146,0.1820634183583638,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.5467396698937604,14.98935383801836,225.0,0.3544512629273001,0.2842888882740245,0.1803828596422141,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6260295672656063,14.991717864586462,225.0,0.3645096272796929,0.2833346958253979,0.178051605376374,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.995641882637756,225.0,0.3714094674933042,0.2799352792823776,0.1771669107543015,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,15.001125891967604,225.0,0.4025467906136366,0.2702583056971225,0.1741360377008386,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.7032255591242401,15.007337438009928,225.0,0.4176698972368664,0.2521246852540585,0.1670725292513331,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.7801487224974405,15.012105683354092,225.0,0.4445455880039317,0.2467111109005887,0.1684967336456064,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.8571747637642663,15.015316027574954,225.0,0.4651659856052407,0.2361086397382487,0.1668117609379151,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.9343039124719216,15.016966384609988,225.0,0.4589231120188519,0.2391354953623593,0.1685117788238347,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,225.0,0.465382860569403,0.2386993672651481,0.1644436192904509,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,225.0,0.4700638152411948,0.2401108161476525,0.1666455995523882,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,225.0,0.4692306725045114,0.2408649583000439,0.1655662463389961,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,48
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.01720841288261,225.0,0.4667293854669296,0.2415516391506041,0.1682357935692369,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,2.0177912762733285,225.0,0.935419774245675,0.0189741459830373,0.0179721065520223,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,5.051421849515236,225.0,0.7242252187248394,0.1198806129635028,0.0916052492736792,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,8.085077389154094,225.0,0.6029611460917225,0.1665341350262756,0.1284836972631625,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,11.11886257781407,225.0,0.6442335264550927,0.1432080923807129,0.1321010558293814,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,14.152439200228171,225.0,0.6664102676323648,0.1288116324273066,0.1281205341379735,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.010168992648689,225.0,0.6795634514830337,0.1215081144592945,0.1095411800064551,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,49
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],1.0,15.00469550469461,225.0,0.6566295824203456,0.1241370057476209,0.1154908700709041,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.9674181232378546,14.998464988048,225.0,0.6199106072174277,0.1393594660633219,0.1200559696219872,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.8900972185055932,14.993677174152252,225.0,0.5712126032384731,0.169860845462602,0.1277815673204408,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.8128799144783043,14.990454980261347,225.0,0.5221436395780684,0.2021452094211333,0.1377848725410929,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.7357659800107412,14.988796310080945,225.0,0.4573386531328559,0.220858905052331,0.1551132970407568,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.988549618146862,225.0,0.4251589208489716,0.2434521786171369,0.1633876565357489,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6698473282442748,14.988549618146862,225.0,0.3717275821548325,0.2604278198004659,0.1682755892851656,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.6591673956230942,14.988549618146862,225.0,0.3411724062674026,0.282066525370206,0.1757565313904644,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.5798171421608079,14.988549618146862,225.0,0.3303441675976037,0.2928367697134877,0.1841873192323104,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.5004734919275927,14.988687322011174,225.0,0.2938821783631604,0.2927991817321214,0.1829347901239678,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.4211625389729293,14.990122781864557,225.0,0.2823576046025978,0.2976917570217084,0.1786113864033551,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3418869593933166,14.993118233405768,225.0,0.2714642189346726,0.2954203661312203,0.1920562204202593,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,14.997673676634804,225.0,0.2664845033695184,0.3014759254567789,0.1835520164898505,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.3301526717557252,15.00376040107767,225.0,0.2437130777213839,0.2970574026283151,0.1833205885388048,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.2656512532419369,15.00945498096371,225.0,0.2392847856855438,0.3006863326685056,0.1942416826887719,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.1886864764248545,15.01359289818538,225.0,0.2291198451786403,0.314166136727025,0.1861902469932181,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.1116187288838527,15.01617207036361,225.0,0.2166323666357367,0.3106530540460219,0.1878845370188236,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0344477807960034,15.017190410617332,225.0,0.2183979434499365,0.3188117088055017,0.1871293016603278,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2141739860878165,0.3138252350466363,0.1829293180710486,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2107363956193829,0.3155790530845067,0.1882767206722889,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2060080718083059,0.3069160703669804,0.186419141085521,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
5,2-Methyltetrahydrofuran [2-MeTHF],Diethyl Ether [Ether],0.0,15.01720841288261,225.0,0.2062003469089758,0.3054574566054793,0.1945228499840582,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O1C(C)CCC1,CCOCC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.CCOCC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,50
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,2.001019108286073,175.0,0.9484704859610597,0.0,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,3.9339190215002873,175.0,0.9487014290325388,0.0,0.0015199799804757,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,6.967549594742195,175.0,0.8545568204038374,0.0259641433229897,0.0265988274571917,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,10.001327057869958,175.0,0.7320635768361218,0.0632587340677203,0.0804092446342008,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,13.04942597996046,175.0,0.6549713913094751,0.0909991788729712,0.1136761279755531,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.011791211372838,175.0,0.6564863008246445,0.0922477426519247,0.1132520317399287,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,51
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.006893674967614,175.0,0.6444018768603277,0.0927794743181426,0.1155489308425845,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0044415304154707,15.000594426919632,175.0,0.6435311990582613,0.0955359497658224,0.1495584496940711,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0818001628039068,14.995236817958356,175.0,0.6534573182935718,0.101665095258191,0.1326383904718185,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1586874748743282,14.991459937709806,175.0,0.6745919560267424,0.0936538751824739,0.1134182274699699,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.236206604167683,14.989218652817726,175.0,0.7009328606077461,0.0830344556001855,0.1007477224149435,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3128882229756899,14.988549618146862,175.0,0.6807752773760016,0.0859379554755046,0.1103073507684227,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.988549618146862,175.0,0.6787669677699197,0.0913292679947935,0.1268936037729938,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.988549618146862,175.0,0.683539395968934,0.0991656964631737,0.1292862867206353,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3913303499636058,14.988549618146862,175.0,0.6512569201764314,0.1024866724994176,0.1359145958100224,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.4706795207912055,14.988552113891274,175.0,0.6318219411720372,0.1153717687499764,0.1498188329159396,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.5500033358529154,14.989420345636972,175.0,0.6185074599910706,0.1236167969444334,0.1539017126461127,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6289142973343291,14.991833309954927,175.0,0.6164864676077659,0.1323990543231258,0.1485270447001934,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.995836785010397,175.0,0.6108897030165313,0.1315414261509827,0.1548171287259401,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,15.001354875084871,175.0,0.6483417331811496,0.1366047785330874,0.1575950646584082,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.7060230285288082,15.007538247618868,175.0,0.7934632827902409,0.1524888808987296,0.1773061638357113,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.7833164961936612,15.012268547661732,175.0,0.5627472710068467,0.1471381255551823,0.1686436223705753,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.8603467760481385,15.01541473553516,175.0,0.5490896795532101,0.1414086364657451,0.1964809070148792,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.9371126262083704,15.016996997792376,175.0,0.5216872706617811,0.1455245362038711,0.2044296735535568,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,175.0,0.575045936989033,0.1571199029049831,0.198561956740891,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,175.0,0.5931666184506098,0.1674405934701976,0.1817090190095797,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,175.0,0.5290648566572185,0.1556320718201032,0.1931007370832114,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,52
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,175.0,0.5302563713050991,0.1608825175202626,0.1793482170095832,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,2.1426323973173567,175.0,0.9945282476870256,0.0,0.0054718420090545,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,5.176262970559264,175.0,0.9265786132910802,0.022476483395611,0.0292933834257143,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,8.209928988037518,175.0,0.781962219576155,0.0791471578108412,0.0973641969898262,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,11.243705593483355,175.0,0.635198252634288,0.1334073647538627,0.1470172015581223,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,14.277273633041432,175.0,0.5346406185442681,0.1579137177980789,0.1784473883266488,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.009974592658182,175.0,0.610966677363515,0.1620156024164698,0.1759485517625059,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,53
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.004436762956177,175.0,0.5755974343357794,0.1618360063294271,0.1768057422867202,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.9642341369426006,14.99823704202754,175.0,0.5570221932734408,0.1308953342373212,0.1812675314436537,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.887285429002749,14.993532479502392,175.0,0.5840352926730844,0.1183065555863384,0.1681546846624933,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.8100718906984953,14.990367219934342,175.0,0.5925780893066347,0.1065714875239345,0.1576341980513874,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.7325947691194394,14.988761516588056,175.0,0.6046144847601771,0.1016406525822939,0.144236945110077,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.988549618146862,175.0,0.6585212319528592,0.0991814237018797,0.155526290251601,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.988549618146862,175.0,0.6118105817591443,0.105016452370503,0.130694182230582,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.656279802113766,14.988549618146862,175.0,0.6447301031421482,0.0893061734484556,0.1428232717767019,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.5769295486514797,14.988549618146862,175.0,0.667838075579938,0.0827523497972427,0.1264384686631133,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.4972089594793288,14.988715616664194,175.0,0.6996683060692395,0.0836697356121441,0.1294420178444789,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.4178994622144914,14.990215273792272,175.0,0.6951141351375143,0.0766727455605629,0.1228161666886453,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3386253383525415,14.993274923017452,175.0,0.6631886314026025,0.0712417591020674,0.1248091206501778,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.99786886856782,175.0,0.7181825043297443,0.0740701032964476,0.1200692860784806,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,15.003994898734163,175.0,0.7144948973080002,0.0708276395576292,0.1138493105990947,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.2628522711330426,15.009632867622711,175.0,0.670412775031387,0.0782667332451913,0.1034715223780104,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1858837511752109,15.013714097722186,175.0,0.679567261578573,0.0865193417690949,0.1077148372834277,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1084449982911359,15.01624478623853,175.0,0.6393026177593444,0.093858020709986,0.1120233752121827,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0312697983243124,15.017198849409397,175.0,0.6103996825123603,0.0828843847979278,0.0764131023015915,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,175.0,0.6246027938884686,0.1011907032007298,0.0785897896703306,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,175.0,0.6929378936187427,0.1017659789674052,0.0666350287406057,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,175.0,0.6065273224262225,0.0834184258575554,0.0787565695884969,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,54
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,175.0,0.5879626682192397,0.0961514276880988,0.0585616793861854,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,175.5,0.6068512710260685,0.0882758373960165,0.0832066938495294,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,178.5938215102975,0.4620414187833138,0.1262081918429133,0.1050590198487182,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,184.1846496106785,0.203276663782335,0.2183351774481624,0.1883721258147608,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,191.94482758620688,0.0077010115811659,0.2808229878029402,0.1340632030267832,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,203.0324449594438,0.0,0.2574003758594551,0.0558723588973622,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,212.8539976825029,0.0,0.2256350652953731,0.0147201828427663,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,219.862837045721,5.93259521263658e-10,0.2013812348662134,6.478284829027398e-10,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,223.61848341232223,0.0,0.2059403224148597,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,4.189724013282077e-10,0.1972491689672595,9.110450008036688e-10,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.2026928164490661,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,2.3745087865575135e-10,0.1989552985722466,1.1263397793251055e-09,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.1987748092171748,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,55
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.1990605145474701,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,2.001019108286073,225.0,0.4016895647975069,0.1578493758300329,0.1076927530784178,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,3.789460422791535,225.0,0.047007352921832,0.2649307426467651,0.1252947307964258,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,6.823090996033443,225.0,0.0,0.229914252373698,0.0428019476234909,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,9.871308677833213,225.0,0.0,0.1900758222498588,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,12.890525551273411,225.0,0.0,0.1977851306532184,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.011966166412094,225.0,0.0,0.193773359689074,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,56
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.00713563714271,225.0,0.0,0.2016643329236001,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0007551958286629,15.00088865750513,225.0,0.006606710311784,0.2655899078587108,0.1113324025856838,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0781187713675148,14.995456406632002,225.0,0.033722195970164,0.2642916669919816,0.1394927719910692,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1553786509367175,14.991590639328932,225.0,0.0585986685567295,0.2735143536658724,0.1635742090730992,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.2321678992934248,14.989296512430885,225.0,0.0574142174196069,0.2809242967369354,0.1729204487743955,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.30958824723799,14.988549618146862,225.0,0.0793083002166955,0.2622401925137803,0.1528437554859432,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.988549618146862,225.0,0.0908153805677029,0.2563506679871843,0.1412245095599758,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.988549618146862,225.0,0.0919999391535041,0.2677813776689641,0.1611291510674074,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3871739081155805,14.988549618146862,225.0,0.0970306362514231,0.2782835091861863,0.198464057303637,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.4665234888445319,14.988549632062131,225.0,0.0911125214377512,0.2812563005755431,0.1926792202756721,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.5462268134414423,14.989343627280505,225.0,0.0694359280970077,0.3012727433184107,0.2305403525780075,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6255169395595096,14.991697565892537,225.0,0.0526396045089132,0.3234043385163899,0.2123771146171739,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.99561149598776,225.0,0.0481053041848738,0.3092906497888694,0.2337332204306706,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,15.001085417361535,225.0,0.0389096729124984,0.3401358946613761,0.2215046328057376,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.7027284569619333,15.007301537843889,225.0,0.0288897045564378,0.3190354918669639,0.2429727090120285,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.7796509557964273,15.012079851294402,225.0,0.0349360669923068,0.3185437610527189,0.2387187676081207,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.8563092994167018,15.015288635777324,225.0,0.0158065745510756,0.3437468122660065,0.2431778614926999,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.9338048122677532,15.016960728053164,225.0,0.0082799131584261,0.3666516989054527,0.254199207626687,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,225.0,0.0,0.349435969005272,0.2762925243732577,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,225.0,0.0,0.3594587235814782,0.2797310149243728,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,225.0,0.0114821533783555,0.3382701099987465,0.2615611783345118,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,57
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01720841288261,225.0,0.0084284379972255,0.3454490664592062,0.2714363265961271,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,2.001019108286073,225.0,0.0658360216289975,0.3466316139518319,0.2884669648261892,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,5.031804371850512,225.0,0.0,0.3827894584738349,0.3119249958631098,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,8.051011216934967,225.0,0.0,0.3684394274093818,0.2806231197105108,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,11.099244770377936,225.0,0.0,0.3898007034058284,0.2930146739035287,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,14.118377626084566,225.0,0.0,0.3475217199490835,0.2459787874186515,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.01019929969516,225.0,0.0,0.3629448259399719,0.2658221981353145,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,58
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",1.0,15.004765643789142,225.0,0.0,0.3487171854178454,0.2469424530058825,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.9682869155992944,14.99852764482057,225.0,0.0,0.3416065724742399,0.2414201233087157,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.8909648462687019,14.993722239569252,225.0,0.0,0.3233333558406695,0.2156760928929882,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.813378920730711,14.990470792099586,225.0,0.0,0.3302302892386175,0.223767529211292,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.736264318552731,14.988802018206115,225.0,0.0,0.3146133677459459,0.1972620767871765,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.988549618146862,225.0,0.0,0.3104359016651796,0.2027903711151556,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6698473282442748,14.988549618146862,225.0,0.0,0.3046566627158779,0.1905290995102854,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.6600583856119708,14.988549618146862,225.0,0.0,0.2955276542015495,0.1783242408169867,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.5807081321496845,14.988549618146862,225.0,0.0,0.2911523324685126,0.16730449454819,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.5013642414557321,14.988680060287152,225.0,0.0,0.2738338131771293,0.136768188009467,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.4220528913024275,14.990098003681853,225.0,0.0,0.267957760952534,0.1208685105682482,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3427769145334528,14.993075938764376,225.0,0.0,0.2718688210581627,0.125725923926436,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,14.997613865534731,225.0,0.0,0.2674246684218908,0.1156031983788147,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.3301526717557252,15.0036876291324,225.0,0.0251867459884167,0.248292029050281,0.0679894150962599,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.2661486242137342,15.009423154697288,225.0,0.0,0.2361890667678701,0.0246043489439732,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1895512521127173,15.01355508466986,225.0,0.0,0.2202660555681671,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.1124846620576208,15.016151770851138,225.0,0.0,0.1980979606157552,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0353148740466059,15.017187648436447,225.0,0.0,0.1696834856159801,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.1664537098131993,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.1606490652508473,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.1630933548512485,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
6,"2,2,2-Trifluoroethanol","Water.2,2,2-Trifluoroethanol",0.0,15.01720841288261,225.0,0.0,0.164453690066272,0.0,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,OCC(F)(F)F,O.OCC(F)(F)F,[1.0],"[0.6, 0.4]",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,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=C1,59
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,2.001019108286073,175.0,0.8995830753554698,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,3.974396320887763,175.0,0.9009370746292714,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,7.008026894129671,175.0,0.902531796396994,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,10.041806035326315,175.0,0.908866577129876,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,13.075456704569888,175.0,0.9060097453921476,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01173615602056,175.0,0.9166613653025308,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,60
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.006817757966928,175.0,0.8979997574815627,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0051057828566375,15.0005417846387,175.0,0.922238445025892,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0824635245353187,14.995197626012668,175.0,0.9156470769171864,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.1597175832697916,14.991419832472276,175.0,0.9084890717805304,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.2368681904615094,14.989206306495362,175.0,0.9049835342931452,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3139155768025271,14.988549618146862,175.0,0.8849362835696566,0.0020232148863781,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.988549618146862,175.0,0.9071738519245378,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.988549618146862,175.0,0.9186683585546588,0.0020644421794996,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.392011250709982,14.988549618146862,175.0,0.9114683627172204,0.0019175020606856,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.4713603451450195,14.98855292834378,175.0,0.8990026190280588,0.0027638368626667,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.5506838566546249,14.989434546578195,175.0,0.915244682586616,0.0039753775632596,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6299719947984583,14.99187615650044,175.0,0.920049699837141,0.0037464401368075,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,14.99587775811051,175.0,0.8942442909363499,0.0031519708973344,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,15.001439350999137,175.0,0.8948131791430651,0.0031570377397416,0.0039597191249392,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.7070487769739335,15.00761135966968,175.0,0.8865391876223143,0.003435185985472,0.0053211277176241,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.7839770513775494,15.012302175136938,175.0,0.869128455170039,0.0046289612452252,0.0080181926322975,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.8610082151094144,15.0154349847071,175.0,0.8414198228986126,0.0061407736691325,0.0085903620091139,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.9381424976931804,15.017007703954732,175.0,0.9166675317992896,0.0077497219216135,0.0085779160520524,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,175.0,0.8737931759799293,0.0088173076402767,0.0083301752933311,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,175.0,0.923003704591244,0.0087848141400883,0.0131653467686509,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,175.0,0.9125566242438282,0.0095839067517155,0.013963017618083,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,61
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,175.0,0.9095014050066612,0.0096822078277733,0.0120826112679587,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,62
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,2.168663836823725,175.0,0.9141210307629352,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,62
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,5.202294410065633,175.0,0.8356478561247855,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,62
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,8.235962567732713,175.0,0.9040037592679864,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,62
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,11.26973738348056,175.0,0.9172411452367024,0.0042507663916706,0.0058687949838055,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,62
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,2.001019108286073,175.0,0.9095776575845768,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,3.7508321934979,175.0,0.905409406234188,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,6.784462766739807,175.0,0.9121789556223816,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,9.818093339981717,175.0,0.9141468997616712,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,12.851723913223625,175.0,0.9039493999660172,0.0,0.0048832120704231,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,175.0,0.910941195330922,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,175.0,0.8877397442808304,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,175.0,0.9080162525401754,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,63
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,175.0,0.9070661368812724,0.0,0.0046530673467364,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,175.00585651537335,0.8913428678957571,0.0,0.0,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,176.04810495626822,0.91005210522338,0.002062962654657,0.0051251728284976,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,181.08926080892607,0.8997193881540398,0.0084931536197855,0.0136818516073249,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,189.176386913229,0.8139680677979403,0.0356929340198814,0.040988820759081,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,198.29485396383868,0.5857000685529172,0.1210461615188816,0.1177518899718141,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,207.8964577656676,0.2847376419143537,0.2139418791195192,0.189519518221018,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,215.76486129458388,0.1328581568743335,0.2521577968462258,0.2116510120391528,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,222.03176795580112,0.0718930272394275,0.2629885477578306,0.2104994437310645,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,224.6698499317872,0.0636409801584479,0.267049295784536,0.2159628742334775,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.062333397124974,0.2593706543247812,0.2070460054834008,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0648940357020959,0.2671609195554052,0.2157634392503362,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0642286765879207,0.2672151006648318,0.2153611448460757,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,64
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0651801244293333,0.2668664750133119,0.2159188481294639,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,2.001019108286073,225.0,0.8053554314670279,0.0389895030907176,0.0454596231110018,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,5.022067862267932,225.0,0.450203545110321,0.1668191091753431,0.151758437406436,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,8.055720948931366,225.0,0.2119121226823465,0.2401937420909742,0.2070793221347125,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,11.089508093812128,225.0,0.0920475433301921,0.2666452908333593,0.2173110362917455,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,14.12308673424718,225.0,0.0665569757040768,0.2585250530911258,0.2109143454738324,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.010214317544524,225.0,0.0664743182250602,0.2670610279723016,0.2145399343673965,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,65
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.004755958352687,225.0,0.0684996262793641,0.2817049951097913,0.2270376126699702,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0318331981174409,14.99851897069675,225.0,0.077293888828066,0.3613986926106407,0.3063692404430587,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.1091551064397903,14.993715997343315,225.0,0.0643911415139084,0.3746446883658956,0.3273271267327469,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.1863734118273673,14.990478664049078,225.0,0.0659458104357702,0.3727278741438088,0.3356355788321558,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.2634883453998597,14.988804875338246,225.0,0.0669647965329324,0.370074258024322,0.3392460910202277,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.988549618146862,225.0,0.0593510107595648,0.3672421016863207,0.3393601891168332,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.988549618146862,225.0,0.0614339074116233,0.3593948738441534,0.3316589908657659,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3400647962100717,14.988549618146862,225.0,0.0632418865491571,0.3617808502027771,0.3388620964754179,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.419415049672358,14.988549618146862,225.0,0.062802361154579,0.3519998745915126,0.3374721443732237,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.4987589073940068,14.988681052363972,225.0,0.0611154331558049,0.3486766300250493,0.3383728207390006,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.5780702026305884,14.99010141742474,225.0,0.0515017512754266,0.3428804454419614,0.3405263259838273,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6573461244782008,14.993081774582606,225.0,0.0,0.3478325993317424,0.3464707281292576,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,14.997622123019028,225.0,0.0400605420704152,0.3483591297233582,0.3476815818244803,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,15.003697701740748,225.0,0.0,0.3422295616156934,0.3528549974032108,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.733604523162215,15.009407334264324,225.0,0.0,0.3322704437442524,0.3489052864893894,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.8105683047364554,15.013560324177888,225.0,0.0,0.3220646482427508,0.3445759236379212,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.8876350548212032,15.016154588897734,225.0,0.0,0.3397904281978509,0.3611135269992194,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.9648050032199096,15.017188041747431,225.0,0.0,0.3637159101613013,0.3879503910714922,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,225.0,0.0,0.3813860181269737,0.3863492085701822,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,225.0,0.0,0.3570998978319984,0.3781254323730669,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,225.0,0.0,0.3838421740851905,0.4061649338210628,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,66
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.01720841288261,225.0,0.0,0.3779585244827811,0.4035314895526461,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,2.001019108286073,225.0,0.7795190678627509,0.1038605283021614,0.1166204892363294,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,3.216335378203894,225.0,0.407190068154262,0.1504234134429052,0.168929002508435,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,6.249965951445802,225.0,0.1914223643086924,0.2838282434302788,0.3061891545019686,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,9.283707500441096,225.0,0.0943300527297352,0.3338644183513979,0.3585450005920961,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,12.317410287431583,225.0,0.0,0.3624705790254873,0.3841900283389448,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.012721029643217,225.0,0.0,0.3748717059129758,0.3985623086451845,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.008193329367714,225.0,0.0,0.388941548982768,0.4143462028764488,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,67
7,"DMA [N,N-Dimethylacetamide]",Decanol,1.0,15.00212207010918,225.0,0.0,0.3562261251785104,0.384880868715093,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,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.9368573436385758,14.996386170878395,225.0,0.0,0.3116590744182277,0.344133063898626,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.8595773977322997,14.992217162034647,225.0,0.0,0.3397194744152355,0.3548856764296346,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.782400961115057,14.989612944009425,225.0,0.0,0.3442081391158281,0.3447106929444471,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.704961034609701,14.98857019882962,225.0,0.0,0.3397547658804327,0.3436005262871474,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,14.988549618146862,225.0,0.052892058223983,0.337572273594668,0.3430407863174129,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6698473282442748,14.988549618146862,225.0,0.0364237544280991,0.3380465427108891,0.3342872134363313,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.6278172440551941,14.988549618146862,225.0,0.0528238207288648,0.3408539528113519,0.3314799524228427,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.5484669912517043,14.988549618146862,225.0,0.0477956578256111,0.3368981985934617,0.3185042878084328,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.4691346404276658,14.989068038039475,225.0,0.0516199662444433,0.3378978128184847,0.3107951344741502,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3898376629972357,14.991119828482624,225.0,0.0552221187469282,0.3388253005848314,0.3122993840457929,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.9947316106136,225.0,0.0562846907272019,0.3395278236961038,0.3069792135952756,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3301526717557252,14.999903384023128,225.0,0.0396344996067021,0.3382806271847285,0.3097222969216477,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.3121584590099016,15.006196130980245,225.0,0.0562844678879018,0.3344108035931556,0.2935967005213317,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.2352558594030436,15.011275944516456,225.0,0.0530956103843133,0.336192457567697,0.2896410830698107,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.1582504277320818,15.01479827275034,225.0,0.0629488275526172,0.3128223449924662,0.2629525405560498,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0811419346312067,15.01676103207501,225.0,0.0650416384895507,0.2752969557526303,0.2240909365050211,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0039301499938112,15.01720841288261,225.0,0.0667011619618296,0.2693799030794968,0.2207145308505792,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0676915376593862,0.2662919865521793,0.2131977432591325,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0676177070790836,0.263581603310181,0.2127768571445452,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
7,"DMA [N,N-Dimethylacetamide]",Decanol,0.0,15.01720841288261,225.0,0.0683838270211636,0.2594252866295015,0.213381741494745,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CN(C)C(C)=O,CCCCCCCCCCO,[1.0],[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,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=C1,68
8,Ethanol,THF [Tetrahydrofuran],0.0,2.001019108286073,175.0,0.9032306013567136,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,3.9645442444339096,175.0,0.9220331969480584,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,6.998174817675817,175.0,0.913424549732435,0.0036652368721783,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,10.01750709611997,175.0,0.9017244750487488,0.0054212128407705,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,13.051159436116675,175.0,0.8911317195229155,0.0072040513545551,0.0050133265211994,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01176923834464,175.0,0.8896794512080569,0.0088338090188722,0.007292144294466,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,69
8,Ethanol,THF [Tetrahydrofuran],0.0,15.006863363214508,175.0,0.8856886841988282,0.0063071256752487,0.0055807210291661,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.0048543852203656,15.00056169452364,175.0,0.8962035235964578,0.0056042484437992,0.0067382581876877,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.0822124639947394,14.995212445364814,175.0,0.8919896065743516,0.009341411697603,0.0095863515039551,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.1594668590783239,14.991429568453896,175.0,0.8455357312547913,0.0125817074884669,0.0158195903343047,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.2362506612123789,14.989217826905588,175.0,0.8794886197832789,0.0103800770438806,0.0141753760746457,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.3132988733870648,14.988549618146862,175.0,0.8752466042384323,0.0084286221671519,0.0135377410147322,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.988549618146862,175.0,0.8764845609056823,0.008939665116332,0.0158498040040396,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.988549618146862,175.0,0.8740253593982562,0.0093328365739662,0.0138808080790316,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.3913756929655841,14.988549618146862,175.0,0.8269363839027026,0.0050039661047068,0.0120751447196431,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.4707248587918974,14.988552164231804,175.0,0.8631679158869503,0.0069061077278558,0.0060392027599566,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.5500486536304094,14.989421287782534,175.0,0.858912433753387,0.0053258242353143,0.0070138924280372,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.6293370750938705,14.99185040302109,175.0,0.8566473759984514,0.0038187713625613,0.0045915169092923,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.995839509947473,175.0,0.8562932907536126,0.0045261270788348,0.0056132332655125,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,15.001418764177288,175.0,0.8540782687500024,0.0044544088685322,0.0057817203549663,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.7067991106065774,15.007593589871249,175.0,0.8566772783072377,0.0,0.0045176515557223,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],0.7833604840952203,15.012270790475668,175.0,0.8566271731372561,0.0023010610461975,0.0038006184064089,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],1.0,15.01720841288261,175.0,0.9327575272888964,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,70
8,Ethanol,THF [Tetrahydrofuran],1.0,6.807559956564546,175.0,0.928783787854624,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,2.144365900488765,175.0,0.9246233881392534,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,5.177996473730673,175.0,0.9507492179191568,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,8.226109682914284,175.0,0.92516815109569,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,11.245439120341416,175.0,0.9086054352399542,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,14.279007040647684,175.0,0.896842710669788,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,15.00997187467874,175.0,0.8997548928886308,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,71
8,Ethanol,THF [Tetrahydrofuran],1.0,15.004433151534611,175.0,0.877373201290233,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.96382150636773,14.998207694725352,175.0,0.8567992852266697,0.0,0.0023183082310069,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.8868733488992226,14.993511447391938,175.0,0.8335741690473952,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.8092929290252502,14.990343240651782,175.0,0.8531971431288258,0.0,0.0032987056080339,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.7325507359480674,14.988761052063635,175.0,0.8872356388991123,0.0,0.0056662444668564,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.988549618146862,175.0,0.8857824607957382,0.0,0.002903694425448,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.988549618146862,175.0,0.8804687017320115,0.0014583091706612,0.0035403804528436,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.6558566007619676,14.988549618146862,175.0,0.8893471037461267,0.0,0.0045040284203827,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.5765063472996812,14.988549618146862,175.0,0.8817089446387563,0.0003146196694555,0.0068917927517709,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.4967858816657999,14.988719476923508,175.0,0.9400785818427704,0.0022012527470096,0.0061760574702586,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.4178541526255605,14.990216576916282,175.0,0.9115621123772586,0.0025929273221835,0.0069174477659692,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.3385800489636115,14.993277117537218,175.0,0.9666126232669404,0.0016356759766678,0.0055329836350092,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.997897649436707,175.0,1.071386827715701,0.0033155938151244,0.0083743005497636,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,15.004029093461211,175.0,1.0169411072923724,0.0046796038656796,0.0098535372495986,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.2624420451039509,15.009658765166025,175.0,0.958232153769287,0.005219909490762,0.0121934064253649,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.1851062109944592,15.013747354805671,175.0,1.06036711078867,0.0037085264725853,0.0069753318797986,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.1084009276694753,15.01624577729217,175.0,1.083254282261479,0.0016335247520882,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.0308579201538992,15.01719974939988,175.0,0.972483939322526,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,72
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.0,1.0000000939496785,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,2.001019108286073,175.0,0.8335871039703481,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,3.970885976923455,175.0,0.8487890548441086,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,7.004516550165363,175.0,0.8269793568326442,0.0,0.0,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,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,10.03814712340727,175.0,0.8174560945009245,0.0033255199820012,0.0038503017177187,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,13.071777696649178,175.0,0.8067428894594673,0.0042536533667743,0.0041978950335183,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.0,0.808765631426799,0.004956673585458,0.0048694763686134,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.0,0.8076145097235432,0.0048283694046897,0.0052881867357708,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.0,0.8079851919343646,0.0049777703195751,0.0076289689553087,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,73
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.0,0.8099506437237031,0.0044860452487057,0.0060665572451695,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,175.00360576923077,0.8088445483987438,0.0059463442525163,0.0048180667112495,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,176.37092731829574,0.8197449424545376,0.0073544932876033,0.0076402556768201,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,180.653603034134,0.7528340298807066,0.0199473037810768,0.0205879269636464,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,186.96484375,0.5963931799997336,0.0620904833810934,0.0623117677112151,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,197.48079470198675,0.3686065458962605,0.1656556226334337,0.1760729456492333,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,209.06624203821656,0.1446235103693775,0.2589569271402979,0.2830980411533065,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,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,217.33077905491697,0.0695066735128017,0.3185250776815106,0.3312975999925351,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,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,222.12996389891697,0.0491520045824348,0.3223353734507375,0.3364737692109795,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,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,224.6244186046512,0.0515782676948619,0.3281766834608097,0.3390579924840359,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,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.0495424797097021,0.3312512850850174,0.3392770851937637,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.0491768849481017,0.323091415565489,0.3363005596098543,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,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.0511655989960529,0.3310655166557595,0.340333349577988,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,74
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.0505580374613363,0.3311858452578088,0.3403645787543237,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,2.2084910724515794,225.0,0.6805384727339032,0.0485928141284128,0.0487433631477134,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,5.242121645693487,225.0,0.2926739612122476,0.201216536679223,0.2018327302110175,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,8.275793048125024,225.0,0.1103411729926818,0.2845387631920516,0.2929483689376042,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,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,11.30956512589023,225.0,0.0513907644622366,0.3202093300531892,0.3254069475123819,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,14.343128637460724,225.0,0.0498502065907199,0.3315151396848017,0.3349573866727942,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,15.009870972198769,225.0,0.04904349859481,0.3280634581717028,0.3383611949551531,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,OCC,C1CCOC1,[1.0],[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,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=C1,75
8,Ethanol,THF [Tetrahydrofuran],0.0,15.004299199267734,225.0,0.0724565682138742,0.3311216546584135,0.3507180776813254,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.0374454720860986,14.998117861432547,225.0,0.0663777727966203,0.3556473876902334,0.3959529694547581,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.1147598574677055,14.993428527122887,225.0,0.0768171941738321,0.3530926082301527,0.3887562289032384,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.1919706566822922,14.990304681032285,225.0,0.0859684265818381,0.3412686911688001,0.3749382546151864,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.2690781008451991,14.988744227275674,225.0,0.0919493509707622,0.3377741155674101,0.3718329970467461,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.988549618146862,225.0,0.0886457979644072,0.3385251565405313,0.3723228059499222,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.988549618146862,225.0,0.0950535330296831,0.3348113801950819,0.3629107783496865,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.3458207124528857,14.988549618146862,225.0,0.1065557573481832,0.3195450597191085,0.3460525882893829,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.4251709659151717,14.988549618146862,225.0,0.1182764996007983,0.3130082226438352,0.3311242139662185,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.5045131875712858,14.98873160776384,225.0,0.1331967745902791,0.3033641388434487,0.311200406609881,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.5838219168927699,14.990265131791602,225.0,0.142645689338811,0.3192108795119242,0.3150277815466796,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.6630952728206454,14.993358647507192,225.0,0.1420943776015011,0.2994186028377216,0.3019291964885729,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.998012154705975,225.0,0.1423255071613067,0.2942424953897932,0.2990242854644213,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,15.00416418534769,225.0,0.1566494183229614,0.2977263568396993,0.283492408750746,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.7391838705609474,15.00976097199782,225.0,0.169813953588927,0.2847781616931762,0.2564266179201193,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.8161551135658491,15.013800964811708,225.0,0.1887825196270454,0.2790657454292998,0.2577978769651526,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.8932293417200197,15.016282081614918,225.0,0.2132851327072525,0.2911910536043673,0.1861963579764774,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],0.9704067848759986,15.017202234912476,225.0,0.2155617141729889,0.2637957464706409,0.1825502018939759,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],1.0,15.01720841288261,225.0,0.210012034679762,0.2590436629175202,0.1740882087955177,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],1.0,15.01720841288261,225.0,0.2090507447204598,0.2482134355650733,0.1733857894264577,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],1.0,15.01720841288261,225.0,0.2061847673395684,0.2495229583039461,0.1719509514256605,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,76
8,Ethanol,THF [Tetrahydrofuran],1.0,15.01720841288261,225.0,0.2034888442365618,0.2469366753985979,0.1698261032752784,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,2.001019108286073,225.0,0.7962731540710556,0.025754434447426,0.021558330535974,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,3.436389161629449,225.0,0.6761102577481668,0.0819496720139267,0.062579752253448,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,6.470019734871357,225.0,0.4511897742566548,0.1932745793243374,0.1372165032424777,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,9.50377353789804,225.0,0.296859440813824,0.2668166390568692,0.1955245043682784,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,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,12.53746119597281,225.0,0.2009484733377543,0.2416717179886682,0.1689667200489319,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,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,15.012445192178347,225.0,0.2009358405990134,0.2344177239278867,0.1630625995515885,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,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,15.00780407836828,225.0,0.1971373436714981,0.2326243538702586,0.1654085885680163,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,77
8,Ethanol,THF [Tetrahydrofuran],1.0,15.00165324628142,225.0,0.1870473754706084,0.2468515184388081,0.2083964255770548,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.9312481166968494,14.996031076952931,225.0,0.1649872122552272,0.2531770675621044,0.2365743090737552,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.8539756869394844,14.991975645352795,225.0,0.1630460390622986,0.2625791936141882,0.2602861606966584,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.7768067497080673,14.989484853140311,225.0,0.1489553040106797,0.2874322705196612,0.3005540286926596,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.6997410741963931,14.988556606067505,225.0,0.1491470798286505,0.2824631755756561,0.3006382432234671,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.988549618146862,225.0,0.1517241053846645,0.2772487709971927,0.29525581910984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.6698473282442748,14.988549618146862,225.0,0.138412658294941,0.2892718584267097,0.3101892668430208,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.6220613278123797,14.988549618146862,225.0,0.1271935514886281,0.303919886699087,0.3319672153996211,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.5427111837381556,14.988549618146862,225.0,0.1218515429306222,0.3237368069528549,0.3615933643071215,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.4633813988338539,14.98916439554705,225.0,0.1024958482890948,0.3366978082275827,0.3759227471776561,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.3840869873138819,14.991329344957194,225.0,0.1057489441024293,0.3360298058311945,0.3872453452389859,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,14.995054285645892,225.0,0.1581891574598306,0.341951200977919,0.3871965127567637,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.3301526717557252,15.000339218022418,225.0,0.1193995357720124,0.3401731803555764,0.4110225486656532,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.3065835450554234,15.006616956952712,225.0,0.0949401565087807,0.3459117366791485,0.4211951924330405,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.2296734938977191,15.011583863224589,225.0,0.1359164387689777,0.3665404564533765,0.4308377538854311,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.1526605940816393,15.014993133786447,225.0,0.1281479713328754,0.3362885288208668,0.4021121642479931,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.0755446161518067,15.016842683598952,225.0,0.078205012833849,0.3261500541725642,0.3667952178895037,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.1173835229329416,0.3119572804592106,0.4017582671063204,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.1198031894625207,0.3246281946998732,0.3662006820884428,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.1366673327748666,0.3062811631809546,0.4291896296922764,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,OCC,C1CCOC1,[1.0],[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,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=C1,78
8,Ethanol,THF [Tetrahydrofuran],0.0,15.01720841288261,225.0,0.0751808712222509,0.3027977776014884,0.3722381843012922,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,OCC,C1CCOC1,[1.0],[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,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=C1,78
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,2.001019108286073,200.0,0.9082319409409813,0.0,0.0,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,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,3.9709582062243953,200.0,0.8829633962762289,0.0184711614020582,0.0018335242816543,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,7.004588779466303,200.0,0.7919483071994926,0.0635068192540374,0.0841544938202059,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,10.03821935270821,200.0,0.6866670817690784,0.1349824431868803,0.1299889605831726,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,13.07184992595012,200.0,0.5901153995082824,0.1809326759382849,0.1445828446109009,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5638153146538312,0.2077196491174488,0.1260758134732529,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5639050742787766,0.1992575139059972,0.1632458180004526,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5389464707941064,0.1945127108060689,0.1609955004625801,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5633041461967484,0.1966187074990844,0.1766764506319805,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5653323253736527,0.1923751328094021,0.1569894691596688,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.566532913366873,0.1944544731508772,0.1559457137742511,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5657038785175087,0.1995772140740611,0.1632040787221176,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5662332674582844,0.201254289034519,0.1642623535533294,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.564691746443962,0.2011601620562078,0.1693903296058257,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5707762345968227,0.2053616125075523,0.1861937073756397,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5708297207772509,0.2081110972120988,0.1826655712365298,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5718826094844205,0.214587848224291,0.1863476439797194,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,0.0,15.01720841288261,200.0,0.5876079403827444,0.2296916359397268,0.1827005039906636,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,79
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,2.20856330175252,200.0,0.8318871538523134,0.0,0.0,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,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,5.242193874994428,200.0,0.8135826043518768,0.0131464326427654,0.0123614222345152,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,8.275824448287494,200.0,0.7817703133084895,0.0307517074249151,0.0255216182943328,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,11.309455021529402,200.0,0.7111882065199062,0.0511363846864536,0.0435626568046465,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,14.34308559477131,200.0,0.6879548861370091,0.0502239959463045,0.0453726066474822,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6796282560809038,0.0505674471480715,0.0434228615191588,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.678680403856192,0.0468807663418866,0.0448142729541798,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6766860499003176,0.0500421399517676,0.0426232778968033,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6728738345647604,0.0490317004161426,0.0450611614360979,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6669103283025791,0.0493657675920749,0.0446740729109464,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.667977346057389,0.0526273734468638,0.0451937018741995,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6648324136809368,0.0485825216290402,0.0430395977293364,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6591008585255612,0.0453881914535637,0.0460171203754002,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6597175777316557,0.0484670013302273,0.0460787846578832,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,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6617401121161589,0.0474456541276337,0.0442494320559068,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6584060776369276,0.048179902967564,0.0446673821963655,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.653190975080308,0.0456502116147353,0.0435774182134436,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
9,Dihydrolevoglucosenone (Cyrene),Ethyl Acetate,1.0,15.01720841288261,200.0,0.6550108148874116,0.0474100683578619,0.0538914582690984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,[C@H]12CCC([C@H](OC1)O2)=O,O=C(OCC)C,[1.0],[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,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=C1,80
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,2.001019108286073,200.0,0.9685730914367172,0.0095753589470263,0.0,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,3.975580881382257,200.0,0.9573855204085628,0.0123417375974192,0.0,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,6.994765594743058,200.0,0.925178244874502,0.0309432506701172,0.0,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,10.042842027866072,200.0,0.8934095531436962,0.0670945365374809,0.0,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,13.07647260110798,200.0,0.8606738295514124,0.0788848180276338,0.0202600668914887,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8789394525154948,0.0472984509548091,0.0560799898385048,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.017208412882612,200.0,0.8533746200497879,0.0626283187024258,0.0397474064981146,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8858861820980448,0.0438032877071439,0.0504636422524002,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8503058187012429,0.0482626653956455,0.0555100866693227,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8545906038347068,0.0492824887423151,0.0459567995442271,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8730670004680929,0.0442590161888731,0.0540607083238303,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8330165709842088,0.0397793298050983,0.0609883279738648,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8553526778489124,0.0418291168046211,0.0521172872346603,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8566705460725873,0.0414881815347527,0.0460751653750951,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.890107766726744,0.0425187874407255,0.0496582158817493,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],0.0,15.01720841288261,200.0,0.8330304549145615,0.0451380111657468,0.0395399711435847,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,81
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,2.198740117029274,200.0,0.7554296694398471,0.0,0.0,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,5.246816550152289,200.0,0.7172057244178877,0.0052733196245394,0.0061817767324768,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,8.280447123445356,200.0,0.665080634598348,0.0194167882044785,0.0222551561476191,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,11.314077696687264,200.0,0.7092459106618587,0.0538308375239647,0.0466179722110823,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,14.347708269929171,200.0,0.680266097290148,0.0581316463936004,0.0488552544625537,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6760063532507056,0.0582677741826249,0.0577843952879626,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6762012121204171,0.0570308385059283,0.0491279526309905,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6777003007913086,0.0568032159993941,0.0581881049284502,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6798609437493124,0.0580617022094501,0.0588094339510594,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6994818867110246,0.0564603019521739,0.046302942929369,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.6863549730700302,0.052402480779892,0.0478111074888525,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7261748234528276,0.0528930502696977,0.0464211751055576,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,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7087989729822283,0.0513376039402517,0.0497813977650569,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.8927516350927581,0.0564900650800241,0.0507583865012647,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7129161835087019,0.054189773791705,0.0490417797626258,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7853528410317743,0.0503995058084551,0.0444827504839716,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7269216697821815,0.050784573447098,0.0448046504436128,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
10,MTBE [tert-Butylmethylether],Butanone [MEK],1.0,15.01720841288261,200.0,0.7279084697155733,0.0572208874074197,0.0467169361397502,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)OC,CCC(=O)C,[1.0],[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,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=C1,82
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,2.001019108286073,200.0,0.8770786201610231,0.0,0.0,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,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,3.940275199880716,200.0,0.8527676163273356,0.0100441365577303,0.0089388770383451,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,6.959459913241517,200.0,0.7817443351031185,0.0384259874424974,0.0325385587436639,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,9.993090486483425,200.0,0.7063816554859449,0.0586058976076546,0.0491763690053123,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,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,13.026721059725332,200.0,0.665197591800145,0.0653336193599175,0.0488568375162257,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6608776278318166,0.0800368872451797,0.0721507927360057,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.664704094640067,0.0749716388524638,0.0634029470904747,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,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6525019682678372,0.0802044423962952,0.0715280434422761,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6624789829476673,0.0796057527821394,0.0658959145512066,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6628194076597531,0.0878919664592325,0.0741454222182249,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,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6639287778842344,0.0855933445639158,0.0774267437534829,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6801022994165354,0.0857248568728683,0.0752427584360458,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6618797198736527,0.0930278056851598,0.0885746969424526,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6720976822165244,0.0917738446668255,0.0856954767161991,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6683135430378248,0.0932880160870475,0.0893397950380014,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.7162259808667283,0.0944073789812973,0.0906420508264211,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.6645007550656679,0.0961673719327108,0.0944129960570738,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,0.0,15.01720841288261,200.0,0.664458490751842,0.0868047815854419,0.087693438216978,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,83
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,2.163434435527733,200.0,0.9989007877989874,0.0,0.0,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,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,5.197065008769641,200.0,0.97498551660006,0.0162691508993331,0.0087454213790727,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,8.230695582011549,200.0,0.9204205300978336,0.0378266285898758,0.0249198798286021,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,11.264326155253457,200.0,0.8591276075738711,0.0590267295914025,0.0299914630585075,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,14.297956728495365,200.0,0.8546245297506495,0.0645879377392773,0.0296266283689348,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8502383772703921,0.0647561197202589,0.0320861182478519,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8483924740830611,0.0639544488344754,0.0357583421503125,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8480647527321399,0.0668193016431139,0.0350338245561715,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8509221754127324,0.0597405196381662,0.0385547477509201,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8485232940966143,0.0674117159135377,0.0369337606115892,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8499342664298879,0.0686395278269728,0.0357983297765146,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8461544934729627,0.0680451122502472,0.0343590272407859,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8715108822201556,0.066164105666172,0.036818086739616,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8478720719489808,0.0676122129797148,0.0380556964474354,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8539314547375022,0.0693252733314555,0.0352910410319889,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8511561735405604,0.0672707429962224,0.0364649874890487,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.850192753047791,0.0687217362333919,0.0372852120219944,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
11,tert-Butanol [2-Methylpropan-2-ol],Dimethyl Carbonate,1.0,15.01720841288261,200.0,0.8678289788816904,0.0689341375825375,0.0395689025677886,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,CC(C)(C)O,COC(=O)OC,[1.0],[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,C=CCOC1=C(OCC=C)C=CC=C1.COC(=O)OC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,84
12,Methyl Propionate,Ethyl Lactate,0.0,2.001019108286073,200.0,0.810169260189469,0.0,0.0,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,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,3.9691524737520463,200.0,0.7964895258070916,0.0,0.0038252223601394,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,7.0027830469939545,200.0,0.7591556413466356,0.0102624260834454,0.0114595084826268,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,10.036413620235864,200.0,0.7730990450602454,0.0225071670618208,0.0201579764159563,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,13.070044193477772,200.0,0.6961085061755994,0.027821649603245,0.0219150930371628,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.017208412882612,200.0,0.7126585358749409,0.0284694452712049,0.0231463191344999,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.697672192079158,0.034883432659694,0.0214343202551461,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.6957185150912598,0.0295617002126056,0.0202538377705218,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.7016471392718632,0.035342923465368,0.0225344350939658,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.6934453229562688,0.0283767733505376,0.0209362595892788,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.7017098273381476,0.029896288789538,0.0231968967271113,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.7037608732768647,0.0313932285802753,0.024221999009587,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.6991458467936611,0.0296449988982486,0.0226292207921649,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.6963121599280031,0.0318406819320104,0.0233843071034599,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.6987485826232421,0.0313153258198232,0.0201265260297611,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.7021230576045483,0.0334657949066281,0.0200446969310345,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.70097364714392,0.0326156067122958,0.0227756087986721,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,0.0,15.01720841288261,200.0,0.7011179729188568,0.0328114847438409,0.0246116397777292,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,85
12,Methyl Propionate,Ethyl Lactate,1.0,2.206757569280171,200.0,0.8709597192629828,0.0041881065004409,0.0067030299085365,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,5.240388142522079,200.0,0.8158559473687564,0.0433915549895689,0.0402547481391376,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,8.274018715763987,200.0,0.7804179349430238,0.0848729900662761,0.0859498738506255,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,11.307649289005894,200.0,0.647871481281529,0.1352370637434707,0.1359944139683649,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,14.34127986229896,200.0,0.5940830759540152,0.1501798945787103,0.1561149554282278,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.5981543012434348,0.1498035857664512,0.1580829607279868,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.5998718623680095,0.1515939127499838,0.1417998361688994,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.5986051065549015,0.1501822852451056,0.1565687677196571,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.5951957712367859,0.1481005988819201,0.1559271972476527,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.6064541153049736,0.1512241670927891,0.159187725561554,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.5976483854169452,0.1460916698162584,0.1558650392202984,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.6102515800363136,0.1444647836320824,0.1660098551877455,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.6246216511113244,0.1456231258959202,0.1682098003305882,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.6458663645405396,0.145411937445796,0.1666019625028058,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.6952182122934019,0.144375377409066,0.1604064909583788,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.7055906499839175,0.1226765864269341,0.1549712605055015,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86
12,Methyl Propionate,Ethyl Lactate,1.0,15.01720841288261,200.0,0.615705747158457,0.1495753036755193,0.1555254041396233,C=CCOC1=C(OCC=C)C=CC=C1,OC1=C(O)C(CC=C)=CC=C1CC=C,OC1=C(O)C(CC=C)=C(CC=C)C=C1,O=C(OC)CC,CCOC(=O)C(C)O,[1.0],[1.0],C=CCOC1=C(OCC=C)C=CC=C1.O=C(OC)CC>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,C=CCOC1=C(OCC=C)C=CC=C1.CCOC(=O)C(C)O>>OC1=C(O)C(CC=C)=CC=C1CC=C.OC1=C(O)C(CC=C)=C(CC=C)C=C1,86