C6O2H6_OPLS_104_33_1866,140.937317867,0.
C6O2H6_OPLS_106_14_2039,130.108413684,0.4627200000686571
C6O2H6_OPLS_111_33_1036,134.752452487,0.9986700000008568
C6O2H6_OPLS_88_14_3711,129.21865062,1.6376000000163913
C6O2H6_OPLS_112_15_150,133.761025823,2.117270000046119
C6O2H6_OPLS_84_14_4608,132.182440312,2.12085000006482
C6O2H6_OPLS_88_15_4568,133.680522716,3.089120000018738
C6O2H6_85x85_14_55580,132.016824498,3.675745000015013
C6O2H6_OPLS_104_78_391,135.059184828,4.265680000069551
C6O2H6_85x85_2_86115,132.520630837,4.589619999984279
C6O2H6_OPLS_109_33_141,135.495199124,4.589890000061132
C6O2H6_85x85_19_26123,135.4480095105,4.821190000046045
C6O2H6_85x85_19_20150,132.3946323725,4.8637650000164285
C6O2H6_OPLS_105_19_174,129.984784891,5.132330000051297
C6O2H6_OPLS_85_14_5482,136.026110543,5.2518300000811
C6O2H6_OPLS_88_61_3322,138.478631706,5.2762799999909475
C6O2H6_OPLS_85_78_285,136.990671962,5.352530000032857
C6O2H6_OPLS_88_14_4352,138.019619316,5.462170000071637
C6O2H6_OPLS_106_61_4049,140.387436037,5.567490000044927
C6O2H6_84x88_14_39600,132.190435721,5.607859999989159
C6O2H6_84x84_7_22289,144.553267823,5.646539999986999
C6O2H6_85x85_7_16893,136.806125849,5.876570000080392
C6O2H6_OPLS_109_29_2840,135.1957993,5.887800000025891
C6O2H6_88x88_2_46785,131.601692036,6.106160000083037
C6O2H6_85x85_14_67771,138.0755563835,6.1434500000905246
C6O2H6_OPLS_101_78_3042,132.699962267,6.322980000055395
C6O2H6_85x85_4_25949,140.7870823495,6.366740000084974
C6O2H6_88x88_4_11758,131.904403855,6.40121000004001
C6O2H6_OPLS_105_7_1908,135.783836047,6.412130000069737
C6O2H6_84x88_4_9241,135.4921795925,6.609739999985322
C6O2H6_88x88_7_3172,132.104747695,6.611185000045225
C6O2H6_OPLS_104_61_2420,136.224996958,6.630899999989197
C6O2H6_85x85_14_79532,136.5896894505,6.657635000068694
C6O2H6_85x85_4_1475,135.6618656635,6.767375000054017
C6O2H6_OPLS_101_14_1549,136.260272157,6.8461600000737235
C6O2H6_85x85_19_27404,137.2802846195,6.872990000061691
C6O2H6_88x88_14_48027,132.098430455,6.9685750000644475
C6O2H6_OPLS_112_19_139,136.756411113,7.085910000023432
C6O2H6_OPLS_85_19_675,137.195642619,7.08726000005845
C6O2H6_OPLS_104_60_1763,134.803138925,7.133390000090003
C6O2H6_84x84_14_25604,133.852655257,7.13918499997817
C6O2H6_85x85_14_51947,138.6919879305,7.154495000024326
C6O2H6_OPLS_112_14_1113,135.199226056,7.200790000031702
C6O2H6_84x84_19_3284,134.234158864,7.219685000018217
C6O2H6_84x84_14_46910,135.2135785075,7.25803500006441
C6O2H6_85x85_2_74222,136.2218966345,7.266490000067279
C6O2H6_OPLS_101_29_2092,140.765027314,7.3547900000121444
C6O2H6_OPLS_101_4_823,135.926595058,7.355680000036955
C6O2H6_OPLS_112_14_2943,138.163960157,7.391880000010133
C6O2H6_85x85_19_30758,136.026676736,7.485304999980144
C6O2H6_OPLS_85_4_259,140.846450732,7.54644000006374
C6O2H6_OPLS_85_14_2971,138.293240039,7.731660000048578
C6O2H6_84x85_19_20056,135.8826730975,7.747510000015609
C6O2H6_88x88_7_9832,132.417128625,7.774380000075325
C6O2H6_84x85_5_71,132.829687018,7.775789999985136
C6O2H6_85x85_33_7420,141.977961624,7.7763750000158325
C6O2H6_85x85_19_21519,134.9367499545,7.805434999987483
C6O2H6_85x85_4_12396,131.4537257025,7.826895000063814
C6O2H6_84x88_14_16658,136.216926513,7.851450000074692
C6O2H6_84x88_14_34157,137.6361677085,7.864545000018552
C6O2H6_OPLS_101_18_1775,142.931536214,7.864700000034645
C6O2H6_84x84_14_6471,143.1058328645,7.888595000025816
C6O2H6_OPLS_85_14_3521,138.273460832,7.943550000083633
C6O2H6_OPLS_101_19_213,135.014597222,8.014150000060908
C6O2H6_OPLS_111_19_1140,133.249300692,8.044020000030287
C6O2H6_OPLS_101_96_3389,144.096817781,8.051160000031814
C6O2H6_OPLS_85_92_3116,141.07280644,8.094380000024103
C6O2H6_OPLS_105_14_233,130.727103789,8.242949999985285
C6O2H6_OPLS_85_33_881,136.58801976,8.302200000034645
C6O2H6_OPLS_101_14_1984,138.430216633,8.326970000052825
C6O2H6_OPLS_105_19_1927,135.154504435,8.328310000011697
C6O2H6_84x85_15_80414,135.39131796,8.358989999978803
C6O2H6_85x85_14_14037,138.7089732465,8.363944999990053
C6O2H6_OPLS_101_33_120,137.84585306,8.365560000063851
C6O2H6_OPLS_112_4_2048,133.2301225,8.37174000008963
C6O2H6_85x85_14_62480,139.326921321,8.470885000075214
C6O2H6_84x84_14_53801,135.6741798765,8.55527000001166
C6O2H6_84x88_19_11682,138.9586658935,8.576470000087284
C6O2H6_OPLS_105_14_333,134.674497466,8.591010000091046
C6O2H6_85x85_9_33846,139.3353926705,8.593489999999292
C6O2H6_88x88_14_58760,136.126174296,8.608760000090115
C6O2H6_85x85_33_28648,133.795528563,8.620115000056103
C6O2H6_OPLS_105_96_1043,141.80413414,8.673350000055507
C6O2H6_OPLS_106_61_4365,130.338748001,8.679609999991953
C6O2H6_OPLS_85_4_1789,138.259733975,8.681820000056177
C6O2H6_84x88_14_60837,136.0971786445,8.690395000041462
C6O2H6_OPLS_111_144_2292,135.590090847,8.691240000072867
C6O2H6_85x85_19_16487,139.9808477425,8.698325000004843
C6O2H6_85x85_14_730,133.382679541,8.703764999983832
C6O2H6_OPLS_105_15_1620,136.158701523,8.708090000087395
C6O2H6_OPLS_85_96_3627,141.99566063,8.722479999996722
C6O2H6_84x85_29_14827,134.800524766,8.801550000091083
C6O2H6_OPLS_105_5_1103,140.689522875,8.830440000048839
C6O2H6_85x85_61_12744,140.5630162665,8.83672999998089
C6O2H6_OPLS_105_15_2147,140.710051031,8.878110000048764
C6O2H6_OPLS_106_78_4122,132.845960155,8.910359999979846
C6O2H6_84x84_4_12860,136.948322258,8.930530000012368
C6O2H6_84x84_14_41492,144.2530327265,8.960045000072569
C6O2H6_85x85_19_30927,141.807036447,8.993980000028387
C6O2H6_OPLS_101_96_2760,140.103470146,9.026430000085384
C6O2H6_85x85_14_5889,137.196701309,9.071405000053346
C6O2H6_85x88_19_22499,136.3312764495,9.0994649999775
C6O2H6_OPLS_101_33_1144,143.270880818,9.108130000066012
C6O2H6_85x85_14_28552,142.9269683665,9.116024999995716
C6O2H6_84x88_14_52122,133.735955478,9.121589999995194
C6O2H6_85x85_14_6806,138.382280312,9.13284500001464
C6O2H6_85x85_33_32833,135.4049954495,9.141410000040196
C6O2H6_OPLS_112_14_639,134.877074723,9.142370000015944
C6O2H6_85x85_14_64933,137.006038206,9.217045000055805
C6O2H6_85x85_29_9323,140.661058828,9.228535000002012
C6O2H6_84x84_61_6023,135.7421568975,9.249245000071824
C6O2H6_OPLS_101_33_112,141.138552491,9.251850000000559
C6O2H6_84x85_14_9503,132.5314856625,9.25667999999132
C6O2H6_84x84_15_88551,137.4087604725,9.288950000074692
C6O2H6_84x85_15_133601,135.9711483035,9.29343499999959
C6O2H6_85x88_19_3274,136.092053979,9.310375000000931
C6O2H6_85x85_2_116311,138.3449308115,9.343410000088625
C6O2H6_85x85_2_7061,137.0448470185,9.34898000000976
C6O2H6_OPLS_85_15_8757,144.40068296,9.368350000004284
C6O2H6_84x88_4_1613,136.7412445325,9.412624999997206
C6O2H6_OPLS_85_19_444,137.303540086,9.416520000086166
C6O2H6_85x85_15_45276,141.599387106,9.421465000021271
C6O2H6_84x84_14_36501,137.729307506,9.43011000007391
C6O2H6_85x88_14_73619,140.639152672,9.436830000020564
C6O2H6_OPLS_105_5_1801,141.704482106,9.467260000063106
C6O2H6_84x88_14_40725,135.215231623,9.481894999975339
C6O2H6_OPLS_101_33_698,139.118328889,9.493040000088513
C6O2H6_OPLS_101_14_1427,132.252088982,9.518400000059046
C6O2H6_85x85_19_29639,137.5539082165,9.520015000016429
C6O2H6_84x85_19_22125,139.820725615,9.524405000032857
C6O2H6_85x85_14_51293,142.7667214235,9.54295999999158
C6O2H6_OPLS_101_19_2257,138.916432676,9.554800000041723
C6O2H6_85x85_9_22443,134.353314833,9.560660000075586
C6O2H6_OPLS_85_14_1737,140.121827062,9.599810000043362
C6O2H6_85x85_61_62501,138.8328298145,9.66609499999322
C6O2H6_88x88_14_38017,136.022498459,9.681270000059158
C6O2H6_85x85_29_15999,142.15606182,9.687804999994114
C6O2H6_OPLS_84_29_1706,132.565752514,9.695030000060797
C6O2H6_85x85_14_34600,137.5473639285,9.700105000054464
C6O2H6_OPLS_101_61_2405,136.415821342,9.703510000021197
C6O2H6_85x88_2_8708,136.607677528,9.707395000034012
C6O2H6_OPLS_101_33_763,132.765355245,9.737870000069961
C6O2H6_84x85_19_20839,140.6352009335,9.766965000075288
C6O2H6_OPLS_101_92_4606,140.157596712,9.772750000003725
C6O2H6_85x85_14_24278,139.547160658,9.803695000009611
C6O2H6_84x85_4_25670,133.5953220295,9.860235000029206
C6O2H6_OPLS_105_33_1966,137.105532679,9.864390000002459
C6O2H6_OPLS_106_14_2459,133.692468571,9.868090000003576
C6O2H6_84x84_33_16022,138.826345939,9.869195000035688
C6O2H6_88x88_15_152611,135.885923147,9.883250000071712
C6O2H6_OPLS_101_14_253,144.310349306,9.912890000035986
C6O2H6_85x85_29_11948,139.2347545195,9.920525000081398
C6O2H6_85x85_19_27861,135.0785643575,9.926085000042804
C6O2H6_85x85_61_42921,142.971931259,9.929055000073276
C6O2H6_88x88_15_111497,135.6659493345,9.939370000036433
C6O2H6_84x85_14_54437,133.790847707,9.968145000049844
C6O2H6_OPLS_85_14_359,137.531981182,9.997169999987818