Hugging Face's logo

Datasets:
eamag
/
MolSets

Tasks:
Graph Machine Learning
Modalities:
Tabular
Text
Formats:
csv
Size:
1K - 10K
Tags:
chemistry
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
xet
Community
1
MolSets
File size: 172,215 Bytes 
eddb718
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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,Solvent 1,Solvent 2,Solvent 3,Solvent 4,Weights,M,Salt,Molality,Slope,Intercept,Goodness
798,[Cu]OCCCB(C1=C(C)C=C(C)C=C1(C))COCCOCCOCC[Au],nan,nan,nan,[0.955418192],[2000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.299177264,-3758.212783,5.948068906,0.996177489
945,[Cu]OB(C1=C(C=C(C=C1C)C)C)OCCOCCOCC[Au],nan,nan,nan,[0.906488664],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.359518244,-2113.55703,2.064521641,0.980028334
996,[Cu]OB(C1=C(C=C(C=C1C)C)C)OCCOCCOCCOCC[Au],nan,nan,nan,[0.970424432],[2000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.287614591,-2674.596999,3.717948431,0.982291128
1044,[Cu]OB(C1=C(C=C(C=C1C)C)C)OCCOCCOCCOCC[Au],nan,nan,nan,[0.923765169],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.287614587,-3170.164209,4.54781929,0.994913005
1585,[Cu]SCCSCCOCCCCOC[Au],nan,nan,nan,[0.885576504],[6884.200628],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.450306459,-2277.266166,1.714229615,0.988246121
1605,[Cu]SCCCCSCCOCCCCOC[Au],nan,nan,nan,[0.89708113],[8253.375507],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.399836408,-2124.342564,1.446233551,0.996406172
1624,[Cu]SCCCCCCSCCOCCCCOC[Au],nan,nan,nan,[0.906483662],[10569.07636],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.359539459,-2017.410182,1.107599537,0.997929857
1643,[Cu]SCCCCCCCCSCCOCCCCOC[Au],nan,nan,nan,[0.914312003],[12552.76042],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.326621387,-2113.893666,0.940861517,0.994231298
1664,[Cu]SCCSCCOCCOCCOC[Au],nan,nan,nan,[0.89243735],[11189.09742],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.420051756,-2365.342615,2.483716509,0.989932239
1682,[Cu]SCCSCCSCCOCCOCCOC[Au],nan,nan,nan,[0.912189065],[11624.70168],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.335492479,-2563.148303,2.391902828,0.993645227
1694,[Cu]SCCSCCOCCOCCOCCOC[Au],nan,nan,nan,[0.907674796],[10155.31623],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.354494131,-2588.648615,2.77175079,0.99410149
1714,[Cu]SCCSCCSCCOCCOCCOCCOC[Au],nan,nan,nan,[0.922615439],[8894.482701],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.292316045,-3185.434293,4.26220161,0.966449867
1734,[Cu]SCCOCCOCCSCCOCCOCCOCCOC[Au],nan,nan,nan,[0.928057661],[11104.33641],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.270164725,-2160.949872,1.751354482,0.992984844
1750,[Cu]S(=O)(=O)CCOCCOCCS(=O)(=O)CCOCCOCCOCCOC[Au],nan,nan,nan,[0.938002933],[13023.72616],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.230348823,-3116.114714,3.646399222,0.974212722
1765,[Cu]OCC(CC)(C(NC(COCCC#N)(COCCC#N)COCCC#N)=O)C[Au],nan,nan,nan,[0.553875116],[3922.021362],F[B-](F)(F)F.[Li+],8.567010967,-1386.90016,1.035330348,0.99698508
1771,[Cu]OCC(CC)(C(NC(COCCC#N)(COCCC#N)COCCC#N)=O)C[Au],nan,nan,nan,[0.713998017],[3922.021362],F[B-](F)(F)F.[Li+],4.260462701,-1927.011956,1.893354945,0.992541629
1777,[Cu]OCC(CC)(COCCC#N)C[Au],nan,nan,nan,[0.616259977],[8624.42869],F[B-](F)(F)F.[Li+],6.623047391,-2147.092193,0.656509532,0.997102797
1783,[Cu]OCC(CC)(COCCC#N)C[Au],nan,nan,nan,[0.763546479],[8624.42869],F[B-](F)(F)F.[Li+],3.293783392,-2920.560507,2.475025061,0.968121629
1840,[Cu]OCC[Au],nan,nan,nan,[0.9],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],0.136519984,-8491.430072,17.55041787,0.936389891
1841,[Cu]OCC[Au],nan,nan,nan,[0.8],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],0.307169964,-7971.806875,16.55791372,0.93884872
1842,[Cu]OCC[Au],nan,nan,nan,[0.6],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],0.819119905,-6527.70022,13.0399049,0.948242752
1843,[Cu]OCC[Au],nan,nan,nan,[0.5],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],1.228679857,-2690.526142,1.792763592,0.834810216
1844,[Cu]OCC[Au],nan,nan,nan,[0.4],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],1.843019786,-8561.240738,18.74082508,0.957990246
1845,[Cu]OCC[Au],nan,nan,nan,[0.2],[5000000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],4.91471943,-8497.690469,18.12819647,0.9852434
1883,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.135785908,-4284.160077,7.096122002,0.823005246
1894,[Cu]OCC[Au],nan,nan,nan,[0.5],[1000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],1.228679857,-739.0519195,-2.956500303,0.726108255
1906,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[1000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.135785908,-1798.912042,1.782117444,0.692504484
1918,[Cu]CC(COOCCOCCOCCOCCOC)(C)[Au],nan,nan,nan,[0.5],[1000.0],Fc1c(F)c(F)c(S[B-](Sc2c(F)c(F)c(F)c(F)c2F)(Sc2c(F)c(F)c(F)c(F)c2F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Li+],1.228679857,-2268.499086,0.344489424,0.984815194
1929,[Cu]CC(COOCCOCCOCCOCCOC)(C)[Au],nan,nan,nan,[0.972729764],[1000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.179746775,-3603.601597,6.034758042,0.973289212
1940,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.632086467],[2070.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.028562159,-2717.88692,4.422176526,0.991701706
1949,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.720439631],[2070.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.352374768,-2357.813517,3.560050419,0.990830237
1958,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.77457473],[2070.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.014281078,-2187.7934,3.0476402,0.984593721
1967,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.632378719],[1000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.026014022,-2391.606345,3.561488408,0.995520923
1976,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.720692712],[1000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.350676012,-2284.904396,3.243909701,0.991214481
1985,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)C(=O)C1[Au],nan,nan,nan,[0.774794123],[1000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.013007011,-2161.726206,2.889599103,0.98066831
1994,[Cu]CCC1C(=O)N(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COOCC)C(=O)C1[Au],nan,nan,nan,[0.814053176],[600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.796076931,-2697.04032,3.66341482,0.995199078
2003,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.135785907,-4036.373069,7.792907614,0.943850503
2012,O=C1OCCO1,nan,nan,nan,[0.998372647],[88.01604399],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.005680782,-742.4884877,-1.258711949,0.97956765
2023,O=C1OCCO1,nan,nan,nan,[0.997524077],[88.01604399],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Li+],0.005680782,-678.1408706,-1.820270589,0.986864257
2034,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.700934579, 0.112149533]","[4000000.0, 500.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.801179434,-3996.037765,7.994710385,1
2036,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.681818182, 0.136363636]","[4000000.0, 500.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.774473453,-5603.826929,13.43351605,1
2038,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.659340659, 0.164835165]","[4000000.0, 500.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.743494515,-3187.806392,5.361073639,1
2040,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.6, 0.24]","[4000000.0, 500.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.663834388,-5201.855954,12.01209566,1
2043,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.78125, 0.010416667]","[4000000.0, 16000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.917139613,-4303.432583,9.069486295,0.985829208
2046,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.714285714, 0.095238095]","[4000000.0, 16000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.820030712,-4499.869874,9.255846741,0.982080629
2049,[Cu]OCC[Au],[Cu]C(CN1C(=O)C(O)C(O)C1=O)C[Au],nan,nan,"[0.75, 0.05]","[4000000.0, 16000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-4721.552984,10.42602274,0.947290628
2055,[Cu]OCC[Au],nan,nan,nan,[0.789473684],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.929368144,-4959.990035,10.64768655,0.967987543
2061,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.4],[157000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.227695804,-5398.076477,11.76128985,0.991450058
2067,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.6],[157000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.323420357,-5773.265257,11.92373891,0.995549863
2073,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.8],[157000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-7034.014021,15.48785409,0.994172639
2079,[Cu]OCC[Au],nan,nan,nan,[0.38898],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.932130403,-2519.440722,4.410292618,0.982960451
2085,[Cu]OCC[Au],nan,nan,nan,[0.25932],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.570553651,-2504.650477,4.742070262,0.985823669
2091,[Cu]OCC[Au],nan,nan,nan,[0.12966],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.263692191,-2580.367716,3.924271739,0.995397871
2097,[Cu]OCC[Au],nan,nan,nan,[0.69129],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.489127387,-3418.781915,6.52895413,0.935252211
2115,[Cu]OCC[Au],nan,nan,nan,[0.7681],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.849197312,-6780.13952,15.32800056,0.983922305
2123,[Cu]OCC[Au],nan,nan,nan,[0.67968],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.876955429,-4572.074621,9.544286901,1
2125,[Cu]OCC[Au],nan,nan,nan,[0.72312],[4000000.0],F[B-](F)(F)F.[Li+],0.885808704,-6056.780588,13.4566053,1
2127,[Cu]OCC[Au],nan,nan,nan,[0.7573466],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.797484162,-3539.051975,7.028661193,0.919738985
2134,[Cu]OCC[Au],nan,nan,nan,[0.7389122],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.709838582,-3623.40428,7.210625501,0.931544697
2141,[Cu]OCC[Au],nan,nan,nan,[0.729695],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.666485014,-3781.914138,7.524813044,0.895372948
2148,[Cu]OCC[Au],nan,nan,nan,[0.7627233],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.823286207,-3844.596104,7.633720202,0.957018754
2155,[Cu]OCC[Au],nan,nan,nan,[0.7104925],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.577151687,-3728.934089,7.233433079,0.951983587
2162,[Cu]OCC[Au],nan,nan,nan,[0.69129],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.489127387,-3875.38476,7.547330442,0.922013122
2197,[Cu]OCC[Au],nan,nan,nan,[0.7681],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.849197312,-4476.652954,9.169011201,0.935463714
2246,[Cu]OCC[Au],nan,nan,nan,[0.8688],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.42512699,-5239.02109,11.51603482,0.892293721
2260,[Cu]C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[Au],nan,nan,nan,[0.632],[47830.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.029316515,-2356.583826,2.847540067,0.986545825
2267,[Cu]C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[Au],nan,nan,nan,[0.705],[47830.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.458317033,-2376.201809,2.729278863,0.978826409
2274,[Cu]C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C(C)(C(OCC1=CC=CC=C1)=O)CC(C)(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[Au],nan,nan,nan,[0.853],[47830.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.6006028,-2347.611662,2.583224625,0.992086582
2281,[Cu]C(=O)OCCCCC[Au],nan,nan,nan,[0.91],[24390.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.34468324,-4267.648109,8.284396181,0.940042507
2288,[Cu]C(=O)OCCCCC[Au],nan,nan,nan,[0.83],[24390.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.713821917,-2650.434705,3.071999236,0.94583096
2295,[Cu]C(=O)OCCCCC[Au],nan,nan,nan,[0.77],[24390.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.041013017,-2164.350558,2.414911782,0.997821516
2302,[Cu]C(=O)OCCCCC[Au],nan,nan,nan,[0.73],[24390.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.289020883,-2437.297431,3.227659211,0.993552823
2309,[Cu]C(=O)OCCCCCC(C1=CC=CC=C1)C[Au],nan,nan,nan,[0.91],[49151.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.34468324,-4295.945768,7.508284035,0.93498587
2316,[Cu]C(=O)OCCCCCC(C1=CC=CC=C1)C[Au],nan,nan,nan,[0.83],[49151.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.713821917,-3670.41543,5.28726557,0.92269078
2323,[Cu]C(=O)OCCCCCC(C1=CC=CC=C1)C[Au],nan,nan,nan,[0.77],[49151.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.041013017,-2411.069433,2.577330485,0.993129003
2330,[Cu]C(=O)OCCCCCC(C1=CC=CC=C1)C[Au],nan,nan,nan,[0.73],[49151.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.289020883,-2692.812939,3.129890324,0.993006846
2365,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.7],[44194.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.493627372,-2756.839398,3.546062446,0.990904693
2372,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.72],[48300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.355328542,-2707.577115,2.812205319,0.988635845
2379,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.78],[68900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.982985536,-3042.892278,3.300730851,0.983470703
2386,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.8],[76400.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-3033.754282,3.089682974,0.986606632
2393,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.91],[55510.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.34468324,-3467.298052,5.917908862,0.989530867
2400,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.87],[55510.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.520766632,-3020.277381,4.845397408,0.994803171
2407,[Cu]C(C(OC)=O)(C)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)(C)CC(C(OC)=O)(C)C[Au],nan,nan,nan,[0.77],[55510.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.041013017,-3047.050465,4.485670079,0.991975685
2414,CC1CCCO1,nan,nan,nan,[0.813376695],[86.07316494],F[As-](F)(F)(F)(F)F.[Li+],1.171522343,-344.3000716,-1.353969603,0.966112966
2422,CC1CCCO1,O=C1OCCO1,COCCOC,CC1COC(=O)O1,"[0.324346454, 0.214934449, 0.16842591, 0.079731376]","[86.07316494, 88.01604399, 90.12, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.378304558,-848.0287685,1.027447951,0.961709066
2433,CC1CCCO1,O=C1OCCO1,COCCOC,CC1COC(=O)O1,"[0.444772607, 0.171930015, 0.115480268, 0.063778593]","[86.07316494, 88.01604399, 90.12, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.308870049,-738.5409359,0.627550217,0.975542832
2444,O=C1OCCO1,CC1CCCO1,CC1COC(=O)O1,COCCOC,"[0.339339249, 0.219462557, 0.125880171, 0.113962032]","[88.01604399, 86.07316494, 102.0316941, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.28732364,-961.2637115,1.352252024,0.953602075
2456,CC1CCCO1,O=C1OCCO1,COCCOC,CC1COC(=O)O1,"[0.308920366, 0.238830729, 0.161200785, 0.088595861]","[86.07316494, 88.01604399, 90.12, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.296111494,-828.5505918,0.88584913,0.972314841
2464,COCCOC,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.381983381, 0.188234108, 0.145526466, 0.053984019]","[90.12, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.527496886,-946.6099823,1.15173022,0.918791089
2470,COCCOC,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.290246724, 0.238380062, 0.184295017, 0.068365473]","[90.12, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.429353748,-884.6252513,1.047456148,0.96344367
2479,O=C1OCCO1,CC1CCCO1,nan,nan,"[0.514555939, 0.332781317]","[88.01604399, 86.07316494]",F[As-](F)(F)(F)(F)F.[Li+],0.91992662,-643.8321744,0.190235125,0.995302345
2484,ClCCl,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.666974117, 0.092856469, 0.071716362, 0.026603666]","[83.95335542, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.843995958,-544.1416228,-0.227527182,0.987592624
2492,ClCCl,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.508503268, 0.165186183, 0.12757918, 0.047326353]","[83.95335542, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.910995491,-667.1834245,0.396784945,0.979276671
2500,ClCCl,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.327139596, 0.247964705, 0.191511984, 0.071042655]","[83.95335542, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.989549614,-806.6635108,0.858863524,0.986664729
2508,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.663914509, 0.171093917, 0.063468436]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.576945194,-570.5506497,-0.113496513,0.989419668
2519,O=C1OCCO1,CC1CCCO1,CC1COC(=O)O1,nan,"[0.455021615, 0.196185592, 0.168793321]","[88.01604399, 86.07316494, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.120813939,-899.6765715,0.920035316,0.99051822
2526,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.397037454, 0.306955303, 0.113867129]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.13711168,-1000.849724,1.395509126,0.968984997
2535,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.60272407, 0.155324851, 0.057618796]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.153890387,-637.1078369,0.135863283,0.984607118
2546,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.551861157, 0.142217237, 0.052756438]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.730835579,-822.9112672,0.699766756,0.967089705
2557,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.508914667, 0.131149723, 0.04865087]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],2.307780765,-1268.061859,2.013424376,0.945298495
2568,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.440373839, 0.113486426, 0.042098551]","[86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],3.461671151,-1920.003764,3.670297604,0.949044081
2577,CC1CCCO1,C1CCOC1,O=C1OCCO1,CC1COC(=O)O1,"[0.277428318, 0.24718911, 0.214267783, 0.079484072]","[86.07316494, 72.05751488, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.133225672,-677.5911742,0.397566211,0.97627997
2588,C1CCOC1,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.411324387, 0.197846845, 0.152804173, 0.056683733]","[72.05751488, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.13101661,-576.8778321,0.098968038,0.980135227
2599,C1CCOC1,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.574936627, 0.118518968, 0.091536425, 0.033956051]","[72.05751488, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.128816155,-498.2547473,-0.140944674,0.973012625
2610,CC1CCCO1,CC1=CC=CC=C1,O=C1OCCO1,CC1COC(=O)O1,"[0.279149374, 0.242518966, 0.215597016, 0.07997716]","[86.07316494, 92.06260026, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.141827871,-1224.838417,2.27401192,0.98337936
2617,ClCCl,CC1CCCO1,nan,nan,"[0.670764325, 0.186580203]","[83.95335542, 86.07316494]",F[As-](F)(F)(F)(F)F.[Li+],0.849590177,-334.3212974,-1.362759961,0.980293704
2625,ClCCl,CC1CCCO1,nan,nan,"[0.513666671, 0.333390928]","[83.95335542, 86.07316494]",F[As-](F)(F)(F)(F)F.[Li+],0.921916069,-223.539019,-1.524555564,0.975475996
2633,CC1CCCO1,ClCCl,nan,nan,"[0.503020238, 0.33215155]","[86.07316494, 83.95335542]",F[As-](F)(F)(F)(F)F.[Li+],1.00770209,-284.913118,-1.359534915,0.977301129
2641,O=S1(CCCC1)=O,CC1CCCO1,nan,nan,"[0.502697277, 0.34091066]","[120.0245005, 86.07316494]",F[As-](F)(F)(F)(F)F.[Li+],0.946565073,-920.6313852,0.802667757,0.972021641
2652,O=S1(C(C)CCC1)=O,nan,nan,nan,[0.865471691],[134.0401506],F[As-](F)(F)(F)(F)F.[Li+],0.793665021,-1766.631593,2.968977476,0.951451649
2659,O=S1(C(C)CCC1)=O,COCCOCCOC,nan,nan,"[0.494402409, 0.36726838]","[134.0401506, 134.0942943]",F[As-](F)(F)(F)(F)F.[Li+],0.81968871,-1111.2019,1.160207769,0.981995964
2663,O=S1(C(C)CCC1)=O,CC1=CC=CC=C1,nan,nan,"[0.508297982, 0.349484955]","[134.0401506, 92.06260026]",F[As-](F)(F)(F)(F)F.[Li+],0.846546321,-819.2572743,0.084574728,0.995505792
2668,O=S1(C(C)CCC1)=O,CC1=CC=CC=C1,nan,nan,"[0.58226255, 0.266893317]","[134.0401506, 92.06260026]",F[As-](F)(F)(F)(F)F.[Li+],0.907021189,-1497.106161,2.344829996,0.957408519
2679,O=C1OCCO1,C1=CC=CC=C1,CC1COC(=O)O1,nan,"[0.363661737, 0.321611845, 0.134902761]","[88.01604399, 78.04695019, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.119479155,-802.2393976,0.542836066,0.991245051
2684,C1=CC=CC=C1,O=S1(CCCC1)=O,nan,nan,"[0.428948124, 0.411159298]","[78.04695019, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.971784365,-773.9757393,0.21159467,0.996705285
2688,O=C1CCCO1,nan,nan,nan,[0.852149909],[86.03677943],F[As-](F)(F)(F)(F)F.[Li+],0.885894526,-755.888229,0.563391666,0.989763824
2696,O=C1CCCO1,COCCOC,nan,nan,"[0.574780163, 0.225768311]","[86.03677943, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.272114355,-630.106885,0.324476718,0.994500645
2704,O=S1(CCCC1)=O,COCCOCCOC,COCCOC,nan,"[0.537957931, 0.199957936, 0.094722274]","[120.0245005, 134.0942943, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.026305401,-1018.569878,1.150306449,0.988859781
2712,COCCOCCOC,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.419218361, 0.295663479, 0.109678351]","[134.0942943, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.086381112,-838.8403057,0.750053781,0.991617611
2718,O=S1(CCCC1)=O,COCCOCCOC,nan,nan,"[0.486735951, 0.361837648]","[120.0245005, 134.0942943]",F[As-](F)(F)(F)(F)F.[Li+],0.911147124,-1047.468405,1.082030651,0.992717242
2723,COCCOCCOC,O=S1(CCCC1)=O,nan,nan,"[0.445329353, 0.399364757]","[134.0942943, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.938782283,-1110.335186,1.247863441,0.998321133
2727,O=S1(CCCC1)=O,COCCOCCOCCOC,COCCOCCOC,nan,"[0.482166528, 0.188608268, 0.179220378]","[120.0245005, 178.1205091, 134.0942943]",F[As-](F)(F)(F)(F)F.[Li+],0.901083836,-1482.787006,2.40937879,0.970971314
2736,O=C1OCCO1,COCCOC,nan,nan,"[0.612548634, 0.205715334]","[88.01604399, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.134028687,-707.3385909,0.549048498,0.992847364
2743,O=C1OCCO1,COCCOC,CC1COC(=O)O1,nan,"[0.379362155, 0.254806257, 0.140726937]","[88.01604399, 90.12, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.483261889,-1092.33867,1.807578316,0.93588194
2754,O=C1OCCO1,COCCOC,CC1COC(=O)O1,nan,"[0.226442426, 0.152094631, 0.084000337]","[88.01604399, 90.12, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],5.933047543,-2748.110756,6.463030819,0.922559067
2762,CC1COC(=O)O1,COCCOC,nan,nan,"[0.369670204, 0.334670401]","[102.0316941, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],2.143311933,-745.1793318,0.616335626,0.988889348
2770,CC1COC(=O)O1,COCCOC,nan,nan,"[0.195905923, 0.177357854]","[102.0316941, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],8.573247743,-2423.643685,5.449001668,0.94446948
2778,O=S1(CCCC1)=O,COCCOC,nan,nan,"[0.601228623, 0.211725636]","[120.0245005, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.174784309,-888.840629,0.832346202,0.988813363
2785,O=S1(CCCC1)=O,COCCOC,nan,nan,"[0.521617189, 0.275535113]","[120.0245005, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.299287329,-993.6150252,1.099719459,0.988121091
2792,O=S1(CCCC1)=O,COCCOCCOCCOC,COCCOC,nan,"[0.509064408, 0.278781812, 0.053780865]","[120.0245005, 178.1205091, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],0.960810258,-1314.890656,1.957312846,0.972937106
2801,O=S1(CCCC1)=O,COCCOCCOCCOC,COCCOC,nan,"[0.53238168, 0.208250844, 0.093740422]","[120.0245005, 178.1205091, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.01355539,-1191.065811,1.648004147,0.975799305
2810,O=C1OCCO1,nan,nan,nan,[0.870819071],[88.01604399],F[As-](F)(F)(F)(F)F.[Li+],0.757437663,-816.6033359,0.638310152,0.99675784
2814,ClCCl,C1CCOC1,O=C1OCCO1,CC1COC(=O)O1,"[0.323966311, 0.255259516, 0.1896543, 0.070353535]","[83.95335542, 72.05751488, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.97811213,-712.1366015,0.641534471,0.987216352
2822,ClCCl,C1CCOC1,O=C1OCCO1,CC1COC(=O)O1,"[0.5052067, 0.170598185, 0.126752099, 0.047019541]","[83.95335542, 72.05751488, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.904043936,-594.5162087,0.239368118,0.986960908
2830,ClCCl,C1CCOC1,O=C1OCCO1,CC1COC(=O)O1,"[0.664536585, 0.096171727, 0.071454267, 0.02650644]","[83.95335542, 72.05751488, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.8404038,-466.5057593,-0.35113474,0.98489785
2838,ClCCl,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.663349865, 0.14265333, 0.05291821]","[83.95335542, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.838656513,-874.7081747,0.925564765,0.963802666
2846,ClCCl,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.503608521, 0.252702258, 0.093741598]","[83.95335542, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.900679595,-871.2934002,1.050815146,0.984064172
2854,O=C1OCCO1,ClCCl,CC1COC(=O)O1,nan,"[0.377516033, 0.322435286, 0.140042106]","[88.01604399, 83.95335542, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.972609185,-1267.016739,2.417221772,0.973485676
2862,CC1COC(=O)O1,O=C1OCCO1,nan,nan,"[0.584470441, 0.278042801]","[102.0316941, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],0.813900891,-1025.830013,1.125307641,0.932103621
2873,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.658197475, 0.24416277]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.55248839,-942.1594447,0.896199901,0.984371772
2881,CC1COC(=O)O1,O=C1OCCO1,nan,nan,"[0.51382615, 0.244436077]","[102.0316941, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],1.627801788,-1637.468921,3.207151293,0.928983181
2892,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.599647991, 0.222443446]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.104976779,-1132.279872,1.558150732,0.984043328
2900,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.729446912, 0.115968526]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.933624786,-1007.72486,1.18996501,0.986438699
2907,CC1COC(=O)O1,O=C1OCCO1,nan,nan,"[0.458417711, 0.218077315]","[102.0316941, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],2.441702674,-1913.42432,3.92719131,0.950417184
2917,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.550664065, 0.20427253]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.657465165,-1774.20087,3.503211644,0.945806155
2926,CC1COC(=O)O1,O=C1OCCO1,nan,nan,"[0.413796021, 0.196849997]","[102.0316941, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],3.255603565,-2296.680878,4.858165946,0.950852766
2934,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.509078557, 0.188846107]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],2.209953548,-2193.077875,4.584267095,0.968102316
2942,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.44227793, 0.164065966]","[88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],3.314930335,-2730.222724,6.030439568,0.970074201
2949,O=C1OCCO1,CC1=CC=CC=C1,CC1COC(=O)O1,nan,"[0.453722313, 0.198480861, 0.168311337]","[88.01604399, 92.06260026, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.116913398,-935.6354798,0.953696604,0.986300186
2956,COCCOCCOCCOC,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.431697945, 0.28931039, 0.10732163]","[178.1205091, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.058199482,-1517.066713,2.830635392,0.913241377
2966,O=C1OCCO1,O=S1(CCCC1)=O,nan,nan,"[0.444376202, 0.423782564]","[88.01604399, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.775404878,-1218.778711,1.688420384,0.983755261
2974,COCCOCCOCCOC,O=C1OCCO1,O=S1(CCCC1)=O,nan,"[0.369420547, 0.247574036, 0.236100762]","[178.1205091, 88.01604399, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.879254122,-1230.424098,1.749172974,0.979947913
2982,O=S1(CCCC1)=O,O=C1OCCO1,COCCOCCOCCOC,nan,"[0.449120977, 0.235472965, 0.175681895]","[120.0245005, 88.01604399, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.829297232,-1530.759434,2.663043386,0.960817141
2992,O=S1(CCCC1)=O,COCCOCCOCCOC,O=C1OCCO1,nan,"[0.423543807, 0.331353833, 0.098694632]","[120.0245005, 178.1205091, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],0.875769771,-1625.39155,2.905008655,0.961654355
3002,O=S1(CCCC1)=O,COCCOCCOCCOC,O=C1OCCO1,nan,"[0.370986435, 0.290236276, 0.194507227]","[120.0245005, 178.1205091, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],0.860827072,-1272.877722,1.808789408,0.988010122
3010,COCCOCCOCCOC,O=C1OCCO1,nan,nan,"[0.680212381, 0.177191177]","[178.1205091, 88.01604399]",F[As-](F)(F)(F)(F)F.[Li+],0.849180147,-1042.491805,1.309966487,0.985226023
3017,ClCCl,CC1COC(=O)O1,nan,nan,"[0.42285149, 0.367310996]","[83.95335542, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.355948358,-749.5140392,0.022085085,0.989804925
3025,ClCCl,CC1COC(=O)O1,nan,nan,"[0.598793061, 0.222918462]","[83.95335542, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.107848367,-533.140294,-0.453613184,0.660794295
3033,ClCCl,CC1COC(=O)O1,nan,nan,"[0.728743775, 0.116269914]","[83.95335542, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.936496196,-589.3673092,-0.489736304,0.981521518
3041,O=S1(CCCC1)=O,ClCCl,nan,nan,"[0.642800174, 0.223880563]","[120.0245005, 83.95335542]",F[As-](F)(F)(F)(F)F.[Li+],0.785434881,-774.906494,0.271012569,0.99364797
3046,ClCCl,O=S1(CCCC1)=O,nan,nan,"[0.443497414, 0.424452829]","[83.95335542, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.776817866,-696.4535341,0.167159836,0.916337766
3050,ClCCl,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,"[0.4649765, 0.222504782, 0.174073641]","[83.95335542, 120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.820485625,-661.3819556,0.265787865,0.995972357
3056,O=S1(CCCC1)=O,ClCCl,COCCOCCOCCOC,nan,"[0.449497103, 0.234832695, 0.175829024]","[120.0245005, 83.95335542, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.830104656,-1030.50491,1.15701738,0.98019657
3064,C1CCOC1,ClCCl,nan,nan,"[0.512954705, 0.325511946]","[72.05751488, 83.95335542]",F[As-](F)(F)(F)(F)F.[Li+],0.983677703,-402.9027665,-0.43453303,0.984205754
3071,ClCCl,C1CCOC1,nan,nan,"[0.506815054, 0.342282589]","[83.95335542, 72.05751488]",F[As-](F)(F)(F)(F)F.[Li+],0.907433508,-367.1873842,-0.522327858,0.966897878
3079,ClCCl,C1CCOC1,nan,nan,"[0.665727557, 0.192688169]","[83.95335542, 72.05751488]",F[As-](F)(F)(F)(F)F.[Li+],0.842158378,-276.0405378,-1.028534387,0.958231831
3087,O=S1(C(C)CCC1)=O,O=S1(CCCC1)=O,nan,nan,"[0.432872681, 0.432556471]","[134.0401506, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.793955009,-1490.270039,2.162248868,0.986455571
3094,CC1COC(=O)O1,nan,nan,nan,[0.92594373],[102.0316941],F[As-](F)(F)(F)(F)F.[Li+],0.408369843,-819.0696708,0.221667235,0.992695483
3102,CC1COC(=O)O1,nan,nan,nan,[0.714338694],[102.0316941],F[As-](F)(F)(F)(F)F.[Li+],2.041849208,-1603.912939,3.082282494,0.929849776
3113,O=S1(CCCC1)=O,CC1COC(=O)O1,nan,nan,"[0.588204454, 0.2288017]","[120.0245005, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.143635377,-1184.654704,1.51716721,0.988579966
3120,O=S1(CCCC1)=O,COCCOCCOCCOC,CC1COC(=O)O1,nan,"[0.451579292, 0.353287021, 0.039034844]","[120.0245005, 178.1205091, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.94446208,-1247.476492,1.674535909,0.982244113
3127,CC1COC(=O)O1,CC1=CC=CC=C1,nan,nan,"[0.429300913, 0.325447959]","[102.0316941, 92.06260026]",F[As-](F)(F)(F)(F)F.[Li+],1.659147378,-1302.271308,2.241099538,0.994365416
3133,O=S1(CCCC1)=O,nan,nan,nan,[0.969828081],[120.0245005],F[As-](F)(F)(F)(F)F.[Li+],0.158849043,-849.193906,-0.089514201,0.999053829
3137,O=S1(CCCC1)=O,nan,nan,nan,[0.927836184],[120.0245005],F[As-](F)(F)(F)(F)F.[Li+],0.397122606,-954.6071137,0.518962178,0.996590954
3142,O=S1(CCCC1)=O,nan,nan,nan,[0.865386586],[120.0245005],F[As-](F)(F)(F)(F)F.[Li+],0.794245209,-1111.565676,1.080068502,0.996111148
3148,O=S1(CCCC1)=O,nan,nan,nan,[0.810813405],[120.0245005],F[As-](F)(F)(F)(F)F.[Li+],1.191367819,-1156.622358,1.165035737,0.998168287
3152,O=S1(CCCC1)=O,nan,nan,nan,[0.762714926],[120.0245005],F[As-](F)(F)(F)(F)F.[Li+],1.588490417,-1155.287147,1.081610537,1
3154,O=S1(CCCC1)=O,COCCOCCOCCOCCOC,nan,nan,"[0.469205914, 0.457807734]","[120.0245005, 222.1467238]",F[As-](F)(F)(F)(F)F.[Li+],0.402005462,-1418.982541,1.958415873,0.97614158
3162,O=S1(CCCC1)=O,COCCOCCOCCOCCOC,nan,nan,"[0.452685965, 0.441689096]","[120.0245005, 222.1467238]",F[As-](F)(F)(F)(F)F.[Li+],0.603008195,-1422.192972,2.019737224,0.984742171
3169,COCCOCCOCCOCCOC,O=S1(CCCC1)=O,nan,nan,"[0.643417781, 0.219812383]","[222.1467238, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.808984392,-1487.26267,2.268620813,0.982078121
3176,O=S1(CCCC1)=O,COCCOCCOCCOCCOC,nan,nan,"[0.437289731, 0.426666876]","[120.0245005, 222.1467238]",F[As-](F)(F)(F)(F)F.[Li+],0.804010923,-1782.454309,3.18290076,0.972936431
3185,O=S1(CCCC1)=O,CC1=CC=CC=C1,nan,nan,"[0.500208167, 0.344174146]","[120.0245005, 92.06260026]",F[As-](F)(F)(F)(F)F.[Li+],0.941014363,-791.1857838,0.245463957,0.952524048
3189,O=S1(CCCC1)=O,COCCOCCOCCOC,CC1=CC=CC=C1,nan,"[0.507993632, 0.198711012, 0.174765514]","[120.0245005, 178.1205091, 92.06260026]",F[As-](F)(F)(F)(F)F.[Li+],0.686588492,-992.1150409,0.897874818,0.988755389
3196,CC1=CC=CC=C1,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,"[0.36398917, 0.264503243, 0.206930575]","[92.06260026, 120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],1.005863794,-814.5642724,0.42012262,0.989672732
3203,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.516025281, 0.403705478]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.445620206,-1190.277962,1.354716056,0.983813778
3210,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.496113936, 0.388128104]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.668430302,-1473.898636,2.306039609,0.962155116
3219,COCCOCCOCCOC,O=S1(CCCC1)=O,nan,nan,"[0.591302308, 0.251938568]","[178.1205091, 120.0245005]",F[As-](F)(F)(F)(F)F.[Li+],0.94919972,-1237.152141,1.603269492,0.986219546
3226,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.477682101, 0.373708204]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.891240403,-1419.10242,2.129135449,0.980060904
3234,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.681114107, 0.177620171]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.839951904,-1384.470147,1.948738855,0.990234553
3242,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.444642972, 0.347860483]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],1.336860609,-1918.457706,3.658922499,0.955559664
3251,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.415878521, 0.325356999]","[120.0245005, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],1.78248081,-2047.054446,3.858871321,0.985668597
3259,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.628682287, 0.162014406, 0.060100331]","[86.07316494, 88.01604399, 102.0316941]",F[P-](F)(F)(F)(F)F.[Li+],1.153890382,-641.6526796,0.117648244,0.971179718
3270,CC1COC(=O)O1,O=C1OCCO1,nan,nan,"[0.543241905, 0.258429666]","[102.0316941, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.627801789,-1613.70905,3.138689659,0.924744062
3281,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.624536382, 0.231675962]","[88.01604399, 102.0316941]",F[P-](F)(F)(F)(F)F.[Li+],1.104976773,-1653.696776,3.338587476,0.913815792
3292,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.626230612, 0.161382598, 0.059865957]","[86.07316494, 88.01604399, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],1.153890382,-589.657988,-0.750014897,0.980974208
3303,O=C1OCCO1,COCCOC,nan,nan,"[0.63608893, 0.213620991]","[88.01604399, 90.12]",O=S(=O)([O-])C(F)(F)F.[Li+],1.134028684,-501.8056243,-0.43731504,0.993365903
3309,CC1COC(=O)O1,COCCOC,nan,nan,"[0.393352664, 0.356110643]","[102.0316941, 90.12]",O=S(=O)([O-])C(F)(F)F.[Li+],2.14331193,-540.6080433,-0.416724716,0.990000942
3316,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.622188939, 0.230805162]","[88.01604399, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],1.104976776,-1606.076652,2.693126381,0.859079839
3326,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.555134196, 0.143060714, 0.053069332]","[86.07316494, 88.01604399, 102.0316941]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.153890385,-487.2098679,-0.517436083,0.990817001
3333,O=C1CCCO1,COCCOC,nan,nan,"[0.525990231, 0.206604079]","[86.03677943, 90.12]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.272114352,-603.4383638,0.148827532,0.992423296
3341,O=C1OCCO1,COCCOC,nan,nan,"[0.564922428, 0.189523772]","[88.01604399, 90.12]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.134324815,-683.9560687,0.381114767,0.985394773
3347,CC1COC(=O)O1,COCCOC,nan,nan,"[0.325083738, 0.2939997]","[102.0316941, 90.12]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.144369984,-705.6920707,0.420119361,0.990088799
3354,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.553824889, 0.205445059]","[88.01604399, 102.0316941]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.104976777,-1111.524057,1.411675316,0.965887216
3363,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.470769958, 0.368300581]","[120.0245005, 178.1205091]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.668430303,-1210.027886,1.452114328,0.982636274
3371,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,nan,"[0.66661403, 0.171789596, 0.063726503]","[86.07316494, 88.01604399, 102.0316941]",F[B-](F)(F)F.[Li+],1.153890379,-933.717416,0.341444804,0.982308338
3378,O=C1OCCO1,CC1COC(=O)O1,nan,nan,"[0.660770979, 0.245117428]","[88.01604399, 102.0316941]",F[B-](F)(F)F.[Li+],1.104976779,-1432.242741,2.405712605,0.919188565
3389,O=S1(CCCC1)=O,COCCOCCOCCOC,nan,nan,"[0.517682806, 0.40500222]","[120.0245005, 178.1205091]",F[B-](F)(F)F.[Li+],0.891240411,-1950.048425,4.218280693,0.964371367
3470,COCOC,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.465479875, 0.162802935, 0.125865264, 0.046690564]","[76.0524295, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.269803423,-819.6218539,0.6445715,0.911983337
3477,COCOC,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.365551637, 0.213087907, 0.164741292, 0.061111888]","[76.0524295, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.240844131,-884.6252513,1.047456148,0.96344367
3486,CC1CCCO1,O=C1OCCO1,COCOC,CC1COC(=O)O1,"[0.289815315, 0.224060342, 0.213075971, 0.083116687]","[86.07316494, 88.01604399, 76.0524295, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.197159998,-912.6108439,1.202633239,0.968474034
3495,ClCCl,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.667036492, 0.092771633, 0.071723069, 0.026606154]","[83.95335542, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],0.844087939,-636.8046296,0.176116598,0.990727711
3502,C1CCOC1,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.575005257, 0.118413746, 0.091547352, 0.033960104]","[72.05751488, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.128980694,-498.2547473,-0.140944674,0.973012625
3513,C1CCOC1,CC1CCCO1,O=C1OCCO1,CC1COC(=O)O1,"[0.411406357, 0.197686991, 0.152834624, 0.056695029]","[72.05751488, 86.07316494, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.13129194,-576.3170768,0.102381933,0.977500269
3524,CC1CCCO1,C1CCOC1,O=C1OCCO1,CC1COC(=O)O1,"[0.277226386, 0.24725819, 0.214327662, 0.079506284]","[86.07316494, 72.05751488, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.133612678,-677.5911742,0.397566211,0.97627997
3535,CC1CCCO1,CC1=CC=CC=C1,O=C1OCCO1,CC1COC(=O)O1,"[0.278946674, 0.242587162, 0.215657641, 0.079999649]","[86.07316494, 92.06260026, 88.01604399, 102.0316941]",F[As-](F)(F)(F)(F)F.[Li+],1.142220777,-1093.659565,1.740328049,0.945985665
3649,O=C1OCCO1,COCCOCCOCCOC,nan,nan,"[0.489531542, 0.365230161]","[88.01604399, 178.1205091]",F[As-](F)(F)(F)(F)F.[Li+],0.867585962,-1042.491805,1.309966487,0.985226023
3752,O=S1(CCCC1)=O,C1=CC=CC=C1,nan,nan,"[0.58040723, 0.269119367]","[120.0245005, 78.04695019]",F[As-](F)(F)(F)(F)F.[Li+],0.904397153,-716.8232823,0.1894933,0.998955147
3760,O=S1(CCCC1)=O,COCCOCCOC,nan,nan,"[0.569848519, 0.282415475]","[120.0245005, 134.0942943]",F[As-](F)(F)(F)(F)F.[Li+],0.885092452,-975.8415893,1.031984014,0.998225655
3771,O=S1(CCCC1)=O,COCCOC,nan,nan,"[0.669332914, 0.157139266]","[120.0245005, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.072055565,-993.6150252,1.099719459,0.988121091
3795,O=S1(CCCC1)=O,COCCOCCOCCOC,COCCOC,nan,"[0.516711485, 0.282969624, 0.039566925]","[120.0245005, 178.1205091, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],0.978007942,-1314.890656,1.957312846,0.972937106
3804,O=S1(CCCC1)=O,COCCOCCOCCOC,COCCOC,nan,"[0.546478447, 0.213765053, 0.069743859]","[120.0245005, 178.1205091, 90.12]",F[As-](F)(F)(F)(F)F.[Li+],1.04589036,-1191.065811,1.648004147,0.975799305
3905,[Cu]OCC[Au],nan,nan,nan,[0.730606899],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1.[Li+].[Li+],0.720296372,-7105.633097,17.37991652,0.994193198
3911,[Cu]OCC[Au],nan,nan,nan,[0.775995063],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1.[Li+].[Li+],0.563906575,-5881.591706,13.77398673,0.98866569
3917,[Cu]OCC[Au],nan,nan,nan,[0.806631596],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c1.[Li+].[Li+],0.468294233,-6172.23373,14.7002556,0.993041306
3923,[Cu]OCC[Au],nan,nan,nan,[0.583583754],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],1.89297652,-4377.773913,9.330702374,0.961422235
3936,[Cu]OCC[Au],nan,nan,nan,[0.700216338],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],1.135785909,-5028.819942,11.39882001,0.961905571
3949,[Cu]OCC[Au],nan,nan,nan,[0.777955819],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],0.757190608,-5839.423325,13.48133976,0.964604476
3962,[Cu]OCC[Au],nan,nan,nan,[0.590759312],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],1.6225513,-3979.553915,7.93229104,0.938165964
3973,[Cu]OCC[Au],nan,nan,nan,[0.70340017],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],0.98763992,-6393.757876,14.82638313,0.962154709
3984,[Cu]OCC[Au],nan,nan,nan,[0.783027288],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+],0.649020518,-2627.27572,3.986086944,0.819098108
3989,[Cu]OCC[Au],nan,nan,nan,[0.608634114],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F.[Li+],1.419732385,-4913.887174,11.29075959,0.944333924
3997,[Cu]OCC[Au],nan,nan,nan,[0.660319412],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F.[Li+],1.13578591,-4969.60108,11.26799037,0.942890525
4005,[Cu]OCC[Au],nan,nan,nan,[0.744631726],[300000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)F.[Li+],0.757190607,-5602.943018,12.93452432,0.963688984
4013,[Cu]OCC[Au],nan,nan,nan,[0.600653012],[300000.0],O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+],2.065065295,-6280.452501,14.24568105,0.976071829
4021,[Cu]OCC[Au],nan,nan,nan,[0.732241267],[300000.0],O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+],1.135785912,-6882.831452,16.11007811,0.938464884
4029,[Cu]OCC[Au],nan,nan,nan,[0.804000667],[300000.0],O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+],0.757190608,-7331.396045,17.70652316,0.940336771
4037,[Cu]OCC[Au],nan,nan,nan,[0.617255545],[300000.0],COCCOCC(I)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+],1.135785909,-6625.3819,16.09954172,0.952933251
4045,[Cu]OCC[Au],nan,nan,nan,[0.707522289],[300000.0],COCCOCC(I)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+],0.757190607,-6520.124739,15.53970277,0.940175877
4053,CC(C)C[P+](C)(C)C.O=S(=O)(F)[N-]S(=O)(=O)F,nan,nan,nan,[0.5],[313.0382931],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],5.349318938,-1571.70735,2.179741088,0.996413267
4060,[Cu]OCC[Au],N#CCCC#N,nan,nan,"[0.5, 0.45]","[300000.0, 80.03744813]",O=C1O[B-](F)(F)OC1=O.[Li+],0.365492571,-1286.558122,0.593172058,0.996247095
4147,O=C1OCCO1,nan,nan,nan,[0.896768079],[88.01604399],F[P-](F)(F)(F)(F)F.[Li+],0.757437666,-806.1850915,0.551701658,0.994864726
4152,O=C1OCC(F)O1,nan,nan,nan,[0.905265261],[106.0066222],F[P-](F)(F)(F)(F)F.[Li+],0.688567369,-980.542175,1.058232124,0.990358631
4161,CC1COC(=O)O1,nan,nan,nan,[0.763171993],[102.0316941],F[P-](F)(F)(F)(F)F.[Li+],2.041849207,-896.7518587,0.783513984,0.992635058
4170,O=C1OC(C)C(C)O1,nan,nan,nan,[0.832946464],[116.0473441],F[P-](F)(F)(F)(F)F.[Li+],1.319628279,-976.3280243,0.888414542,0.993283223
4179,CCOC(OC)=O,nan,nan,nan,[0.868651684],[104.0473441],F[P-](F)(F)(F)(F)F.[Li+],0.994928503,-407.7496539,-0.72552134,0.988506906
4188,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.531977426, 0.463893555]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.014449834,-1336.89353,2.352925482,0.98661704
4207,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.53290631, 0.458821233]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.029071082,-2014.686555,4.432597565,0.727097527
4226,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.534773841, 0.448623264]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.058840174,-1344.496828,2.344222826,0.985285778
4245,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.540455807, 0.417595942]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.152596277,-1338.712499,2.217029857,0.983538871
4264,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.5501989, 0.364392149]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.325458404,-1442.544735,2.468054277,0.988470334
4283,C[N+]1(CCC)CCCC1.O=S(F)([N-]S(=O)(F)=O)=O,C[N+]1(CCC)CCCC1.O=S(C(F)(F)F)([N-]S(=O)(C(F)(F)F)=O)=O,nan,nan,"[0.653069918, 0.144174256]","[308.0676055, 408.0612184]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.886341404,-2920.531959,7.017043267,0.740623024
4302,CCN1C=C[N+](C)=C1.F[B-](F)(F)F,nan,nan,nan,[0.932243696],[198.0951416],F[B-](F)(F)F.[Li+],0.773045367,-1696.022458,3.578744604,0.985625084
4307,C[P+](C)(CC(C)C)C.FS([N-]S(F)(=O)=O)(=O)=O,nan,nan,nan,[0.61177],[313.0382931],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],3.394684426,-1463.782288,1.882674505,0.989680891
4317,CC#N,nan,nan,nan,[0.801976942],[41.0265491],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],1.272877375,-606.8953314,0.410464332,0.943218933
4343,COCCOC,nan,nan,nan,[0.695680502],[90.12],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],2.255031608,-717.5150098,0.59660763,0.946555769
4371,CC1COC(=O)O1,nan,nan,nan,[0.716292958],[102.0316941],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],2.041794926,-1800.610594,3.368185408,0.927244666
4403,CC1COC(=O)O1,nan,nan,nan,[0.630573103],[102.0316941],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.041794922,-1328.343562,2.073760242,0.936760286
4436,CC1COC(=O)O1,nan,nan,nan,[0.822126509],[102.0316941],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.041794921,-1216.502901,1.573370464,0.932539571
4473,CC1COC(=O)O1,nan,nan,nan,[0.75846366],[102.0316941],O=S(=O)([O-])C(F)(F)F.[Li+],2.041794923,-1227.198826,1.215041548,0.956015409
4508,COCCOCCOCCOC,nan,nan,nan,[0.383010538],[178.1205091],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.614176637,-1583.350398,2.289520214,0.999205433
4514,COCCOCCOCCOC,nan,nan,nan,[0.371730833],[178.1205091],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.890283679,-1649.05375,2.415455546,0.998861878
4520,COCCOCCOCCOC,nan,nan,nan,[0.360576403],[178.1205091],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.180312091,-1638.242175,2.273673537,0.9961232
4526,COCCOCCOCCOC,nan,nan,nan,[0.350459786],[178.1205091],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.45932151,-1929.226867,3.149018464,0.998484206
4532,COCCOCCOCCOC,nan,nan,nan,[0.341351377],[178.1205091],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.724673117,-1976.931121,3.161103819,0.997448715
4538,COCCOCCOCCOCCOC,nan,nan,nan,[0.436368968],[222.1467238],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.501529358,-1734.115893,2.959973782,0.997680541
4544,COCCOCCOCCOCCOC,nan,nan,nan,[0.424599263],[222.1467238],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.722916061,-1873.123416,3.322480588,0.996359416
4550,COCCOCCOCCOCCOC,nan,nan,nan,[0.412901019],[222.1467238],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.955465092,-2015.345585,3.719352288,0.996889664
4556,COCCOCCOCCOCCOC,nan,nan,nan,[0.402239849],[222.1467238],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.179178941,-2088.237307,3.838627561,0.996883674
4562,COCCOCCOCCOCCOC,nan,nan,nan,[0.392599093],[222.1467238],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.39194177,-2183.914857,4.054334899,0.998452812
4627,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,nan,nan,nan,[0.905349602],[324.1310291],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.544442131,-2328.645176,4.668014512,0.989887391
4636,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,COCCOCCOCCOC,nan,nan,"[0.609120374, 0.330793377]","[324.1310291, 178.1205091]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.33291448,-1494.337366,2.631101036,0.991914178
4645,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,COCCOCCOCCOC,nan,nan,"[0.770120372, 0.149366863]","[324.1310291, 178.1205091]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.45599978,-1829.023413,3.435207499,0.990915137
4654,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,COCCOCCOCCOCCOC,nan,nan,"[0.60650065, 0.330092322]","[324.1310291, 222.1467238]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.352559238,-1555.20458,2.645708149,0.991657552
4663,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,COCCOCCOCCOCCOC,nan,nan,"[0.742700502, 0.179653363]","[324.1310291, 222.1467238]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.438397302,-1867.702689,3.712125097,0.984060469
4672,FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2,COCCOCCOCCOCCOC,nan,nan,"[0.815998982, 0.098691842]","[324.1310291, 222.1467238]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.485698789,-2191.365913,4.376207714,0.988999888
4681,C[N+]1(COC)CCCC1.O=S([N-]S(=O)(F)=O)(F)=O,nan,nan,nan,[0.911455034],[310.0468701],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.338569379,-1282.093216,1.648391049,0.978977351
4697,C[N+]1(CCC)CCCC1.O=S([N-]S(=O)(F)=O)(F)=O,nan,nan,nan,[0.910936819],[308.0676055],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.340744611,-1398.803374,1.883173487,0.976711481
4713,C[N+]1(CCCC1)CCCC.O=S([N-]S(=O)(F)=O)(F)=O,[Cu]OCC[Au],nan,nan,"[0.555555556, 0.355555556]","[322.0832556, 1000000.0]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.920694773,-1168.407838,1.419064001,0.993691999
4721,CC1COC(=O)O1,nan,nan,nan,[0.942],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.320643682,-1008.101115,0.332795294,0.998362958
4729,CC1COC(=O)O1,nan,nan,nan,[0.962],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.205709392,-968.6242925,0.008862564,0.996786262
4737,CC1COC(=O)O1,nan,nan,nan,[0.981],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.100862607,-867.584581,-0.444046087,0.997692836
4745,CC1COC(=O)O1,nan,nan,nan,[0.99],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.052602986,-853.9980941,-0.576205779,0.998957578
4753,CC1COC(=O)O1,nan,nan,nan,[0.996],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.02091444,-746.2832877,-1.184286163,0.999067288
4761,CC1COC(=O)O1,nan,nan,nan,[0.998],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.010436264,-754.0486379,-1.22548155,0.996262558
4769,CC1COC(=O)O1,nan,nan,nan,[0.99904],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.005004192,-801.6369081,-1.262028576,0.998158352
4777,CC1COC(=O)O1,nan,nan,nan,[0.99961594],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.002000836,-949.8765575,-1.09167152,0.997146231
4785,CC1COC(=O)O1,nan,nan,nan,[0.99980797],[102.0316941],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.001000226,-909.7617734,-1.49396171,0.993191333
4793,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.577052667, 0.288526333]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.808734567,-876.6670903,0.092098052,0.998754843
4800,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.602656667, 0.301328333]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.553125216,-834.6341476,-0.108135493,0.999054578
4807,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.641062667, 0.320531333]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.207995016,-685.4031332,-0.534783197,0.996438827
4814,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.653864667, 0.326932333]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.101961343,-653.8225028,-0.900779396,0.983177721
4821,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.660265667, 0.330132833]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.050486435,-613.8533524,-1.068528927,0.997863707
4828,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.664106267, 0.332053133]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.020077787,-593.5471874,-1.447305458,0.996737565
4835,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.665386467, 0.332693233]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.010019579,-578.5471741,-1.749730088,0.997462961
4842,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.666026567, 0.333013283]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.005004975,-524.9369293,-2.119918285,0.998135669
4849,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.666410627, 0.333205313]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.002000836,-430.4733506,-2.728239585,0.991266006
4856,COC(OC)=O,O=C1OCCO1,nan,nan,"[0.666538647, 0.333269323]","[90.03169405, 88.01604399]",N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.001000226,-326.1577625,-3.453661113,0.956847797
4901,OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O,nan,nan,nan,[0.8],[384.2],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-2821.409904,4.327028935,0.995666388
4909,OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O,nan,nan,nan,[0.7],[384.2],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.493627372,-2940.165855,4.593986306,0.995625342
4918,OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O,nan,nan,nan,[0.6],[384.2],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.323420357,-3146.134094,5.091926036,0.997898223
4926,OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O,nan,nan,nan,[0.4],[384.2],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.227695804,-3204.732405,5.082116213,0.997631739
4934,OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O,nan,nan,nan,[0.1],[384.2],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],31.36617482,-3358.450763,5.449980188,0.997243887
4942,N#CCCC#N,[Cu]CC(C)([Ca])C(=O)OCCOC(=O)NCCCOCCOCCOCCCNC(=O)OCCOC(=O)C(C)([Ca])C[Au],nan,nan,"[0.4, 0.2]","[80.03744813, 528.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.323420357,-1126.667379,0.500216061,0.996849399
4948,N#CCCC#N,[Cu]CC(C)([Ca])C(=O)OCCOC(=O)NCCCOCCOCCOCCCNC(=O)OCCOC(=O)C(C)([Ca])C[Au],nan,nan,"[0.425, 0.15]","[80.03744813, 528.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.575966048,-1248.254719,1.051035075,0.98915145
4955,N#CCCC#N,[Cu]CC(C)([Ca])C(=O)OCCOC(=O)NCCCOCCOCCOCCCNC(=O)OCCOC(=O)C(C)([Ca])C[Au],nan,nan,"[0.45, 0.1]","[80.03744813, 528.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.851470438,-1284.940414,1.379588989,0.991981453
4962,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.458862994, 0.458862994]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],0.589878647,-907.112421,1.00347814,0.995324126
4963,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.458768643, 0.458768643]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],0.591353174,-748.229572,0.415321197,0.996737584
4972,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.447540882, 0.447540882]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],0.771260875,-897.2403581,0.941195496,1
4973,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.447257829, 0.447257829]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],0.775913094,-782.3055289,0.558082987,0.997277225
4975,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.44735218, 0.44735218]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],0.7743617,-807.2040153,0.685589634,1
4982,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.432727786, 0.432727786]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.022901868,-1107.922131,1.728778506,0.998302608
4983,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.432444733, 0.432444733]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.027878146,-900.9798705,0.975977639,1
4985,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.433010839, 0.433010839]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.017932087,-834.4129914,0.771435146,1
4990,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.432633435, 0.432633435]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.024559898,-573.5108879,-0.067294095,1
4992,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.418103391, 0.418103391]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.288828872,-1134.636767,1.769974777,0.998756911
4993,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.417914689, 0.417914689]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.292381815,-971.4227735,1.207542271,0.990695025
4994,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.418292093, 0.418292093]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.285279144,-892.9170963,0.920955418,1
5002,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.407913491, 0.407913491]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.485391631,-1138.255914,1.748407169,0.988466388
5004,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.407724789, 0.407724789]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.489124332,-908.3095764,0.93491659,1
5012,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.394610009, 0.394610009]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.757293481,-1181.08113,1.849357172,0.979644935
5013,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.39470436, 0.39470436]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],1.755300573,-1078.94501,1.433685984,1
5022,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.379891264, 0.379891264]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],2.08031126,-1505.770971,2.972860685,0.975099955
5027,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.380079966, 0.380079966]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],2.076011687,-994.2054894,1.198727869,1
5033,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.362625043, 0.362625043]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],2.492658618,-1318.847267,2.100163906,1
5034,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.362813745, 0.362813745]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],2.487939965,-1295.406132,2.069715764,1
5036,CCOC(OC)=O,O=C1OCCO1,nan,nan,"[0.363002447, 0.363002447]","[104.0473441, 88.01604399]",F[P-](F)(F)(F)(F)F.[Li+],2.483226231,-1242.727882,1.9676214,1
5298,[Cu][B-]1(OC(=O)C(=O)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.978511771],[1159.002974],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.113205429,-2128.885905,1.990521544,0.944334668
5322,[Cu][B-]1(OC(=O)C(=O)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.968110283],[759.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.169808145,-2438.920065,3.102187219,0.967790285
5346,[Cu][B-]1(OC(=O)C(=O)O1)OCCOCCOCCOCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.983206742],[559.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.08804867,-2648.950442,3.430329938,0.980445743
5369,[Cu][B-]1(OC(=O)C(=O)O1)OCCOCCOCCOCC[Au],nan,nan,nan,[0.991928242],[359.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.041948899,-3410.046681,4.758541753,0.989455775
5386,[Cu][B-]1(OC(=O)C(=O)O1)OCCOCCOCC[Au],nan,nan,nan,[0.998477314],[291.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.00786149,-4076.55073,5.981687712,0.99459784
5399,[Cu][B-]1(OC(=O)C(=O)O1)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)[Au],nan,nan,nan,[0.943863433],[551.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.306598041,-2950.700448,3.757085134,0.988425339
5419,[Cu][B-]1(OC(=O)C(=O)O1)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)[Au],nan,nan,nan,[0.866760838],[887.0029742],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.792438009,-2660.105515,3.385185817,0.982217154
5443,[Cu][B-]1(OC(=O)C(=O)O1)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)[Au],nan,nan,nan,[0.885488091],[1111.002974],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.666654195,-2339.887527,2.288833865,0.980919248
6028,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,[Cu]CC(Cl)[Au],nan,nan,"[0.55, 0.33]","[278.1518092, 61988.49398]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.475245073,-2639.38541,3.745602247,0.979869394
6035,[Cu]CC(Cl)[Au],CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,nan,nan,"[0.5, 0.41]","[61988.49398, 278.1518092]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.34468324,-2780.970763,3.765888721,0.98386056
6043,[Cu]CC(Cl)[Au],CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,nan,nan,"[0.67, 0.27]","[61988.49398, 278.1518092]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.222455141,-3447.836183,4.377462256,0.987644274
6048,CCOC(=O)OCC,O=C1OCCO1,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],nan,"[0.45712, 0.3048, 0.2]","[118.0629942, 88.01604399, 110000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.102312583,-1286.017325,1.636255139,0.990908122
6053,CCOC(=O)OCC,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],O=C1OCCO1,nan,"[0.39998, 0.3, 0.2667]","[118.0629942, 110000.0, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.08908269,-1461.031558,2.20128361,0.986641504
6063,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.4, 0.34284, 0.2286]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.075982449,-2471.697102,4.568434478,0.830627559
6074,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.5, 0.2857, 0.1905]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.063009962,-2924.670971,5.954609072,0.920689153
6086,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.6, 0.22856, 0.1524]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.05016337,-2855.968274,5.091926515,0.97554013
6097,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.7, 0.17142, 0.1143]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.03744085,-3647.982837,6.765399047,0.976689122
6108,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.8, 0.11428, 0.0762]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.024840613,-4054.592607,6.802557097,0.990254074
6116,CCOC(=O)OCC,O=C1OCCO1,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],nan,"[0.43632, 0.29088, 0.2]","[118.0629942, 88.01604399, 110000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.202705514,-2435.831917,5.149201012,0.967206454
6130,CCOC(=O)OCC,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],O=C1OCCO1,nan,"[0.38178, 0.3, 0.25452]","[118.0629942, 110000.0, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.175645293,-2530.879629,5.588228719,0.965315932
6141,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.4, 0.32724, 0.21816]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.149105467,-2849.486041,5.917346165,0.957803071
6152,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.5, 0.2727, 0.1818]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.123071167,-2530.348266,4.427244095,0.976386775
6163,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.6, 0.21816, 0.14544]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.097528085,-2864.47391,4.917328595,0.9746207
6174,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.7, 0.16362, 0.10908]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.072462449,-3325.185411,5.74560141,0.981426108
6185,[Cu]CC(F)(F)C(F)(F)C(F)(C(F)(F)(F))[Au],CCOC(=O)OCC,O=C1OCCO1,nan,"[0.8, 0.10908, 0.07272]","[110000.0, 118.0629942, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.047860995,-4518.973184,8.513101806,0.981772771
6193,C[N+](CC)(C)CC.O=S([N-]S(=O)(F)=O)(F)=O,[Cu]CC1C[N+](C)(C)CC1C[Au].O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O,nan,nan,"[0.4, 0.4]","[282.0519554, 868929.3118]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-1910.981496,2.4650061,0.997632154
6199,C[N+](CC)(C)CC.O=S([N-]S(=O)(F)=O)(F)=O,[Cu]CC1C[N+](C)(C)CC1C[Au].O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O,nan,nan,"[0.48, 0.32]","[282.0519554, 868929.3118]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.871282634,-1404.828874,1.084833734,0.961145466
6206,[Cu]CCCCCC(=O)O[Au],nan,nan,nan,[0.91],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.34468324,-4198.86353,7.907478999,0.93182668
6213,[Cu]CCCCCC(=O)O[Au],nan,nan,nan,[0.83],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.713821917,-3760.363546,6.90592232,0.912122896
6220,[Cu]CCCCCC(=O)O[Au],nan,nan,nan,[0.77],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.041013017,-4517.290086,9.439332958,0.896227895
6227,[Cu]CCCCCC(=O)O[Au],nan,nan,nan,[0.7],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.493627372,-3510.854953,6.338924537,0.928435069
6234,[Cu]CCCCO[Au],nan,nan,nan,[0.92614031],[1800.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.752610435,-1353.741779,-1.168223708,0.84707542
6257,[Cu]OCC[Au],nan,nan,nan,[0.884675538],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.454029512,-1488.223643,1.073338435,0.995498603
6264,[Cu]OCC[Au],nan,nan,nan,[0.657275654],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.816118048,-1966.287059,2.591926949,0.961297206
6281,[Cu]OCC[Au],nan,nan,nan,[0.768708928],[100000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.837684449,-4394.456453,8.638515029,0.944788096
6295,[Cu]OCC[Au],nan,nan,nan,[0.918633722],[350.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.56753689,-1015.258704,0.011794633,1
6296,[Cu]OCC[Au],nan,nan,nan,[0.918633722],[300.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.56753689,-1364.923692,0.973284145,1
6299,[Cu]OCC[Au],nan,nan,nan,[0.894376365],[300.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.756715846,-1370.814053,1.097006734,1
6300,[Cu]OCC[Au],nan,nan,nan,[0.894376365],[350.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.756715846,-1092.979584,0.295896149,1
6301,[Cu]OCC[Au],nan,nan,nan,[0.894376365],[250.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.756715846,-650.0631559,-1.044185791,1
6305,[Cu]OCC[Au],nan,nan,nan,[0.875873769],[250.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.908059024,-653.5962458,-0.948892693,1
6307,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[350.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-1167.719195,0.573248109,1
6308,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[300.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-1452.460496,1.408677575,1
6309,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[250.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-719.8115908,-0.705338617,1
6313,[Cu]OCC[Au],nan,nan,nan,[0.80893383],[250.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.513431714,-798.6172688,-0.413559542,1
6314,[Cu]OCC[Au],nan,nan,nan,[0.80893383],[350.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.513431714,-1199.300419,0.629832796,1
6317,[Cu]OCC[Au],nan,nan,nan,[0.738392881],[300.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.27014756,-1779.488823,2.288680019,1
6318,[Cu]OCC[Au],nan,nan,nan,[0.738392881],[350.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.27014756,-1571.29193,1.65938305,1
6321,[Cu]OCC[Au],nan,nan,nan,[0.675031652],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],4.540295119,-2795.765274,3.586111916,0.940731608
6333,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[100000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-4753.257336,7.290267911,0.962738717
6336,[Cu]OCC[Au],nan,nan,nan,[0.835541103],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.261193099,-3274.863815,5.418154848,1
6338,[Cu]OCC[Au],nan,nan,nan,[0.717535936],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-3930.317988,7.498928453,0.77458803
6340,[Cu]OCC[Au],nan,nan,nan,[0.693065185],[900000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.837684449,-4267.143503,8.273427156,0.876974094
6342,[Cu]OCC[Au],nan,nan,nan,[0.768708928],[5000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.837684449,-3792.828179,6.977218986,0.98249856
6364,[Cu]OCC[Au],nan,nan,nan,[0.930041681],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.709421112,-5055.657275,9.709605248,0.932192002
6365,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-5140.573896,10.09210888,0.94146196
6366,[Cu]OCC[Au],nan,nan,nan,[0.768708928],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.837684449,-4244.703981,8.277580549,0.986366427
6368,[Cu]OCC[Au],nan,nan,nan,[0.624311299],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],5.675368899,-4511.774372,7.171153704,0.994406088
6370,[Cu]OCC[Au],nan,nan,nan,[0.738392881],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.27014756,-3432.093165,5.39423069,0.900105976
6372,[Cu]OCC[Au],nan,nan,nan,[0.889677813],[400.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.794551646,-1874.039332,3.013935486,1
6387,C(COCCOCCOCCOCCOCCOCCOCCO)O,nan,nan,nan,[0.64893543],[398.49],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.884222474,-1539.521567,2.17218081,1
6391,C(COCCOCCOCCO)O,nan,nan,nan,[0.64893543],[194.23],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.884222474,-2264.049899,4.089204909,1
6393,COCCOCCOCCOCCOC,nan,nan,nan,[0.64893543],[222.28],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.884222474,-1521.443885,2.3308345,1
6395,COCCOCCOCCOCCO,nan,nan,nan,[0.64893543],[208.25],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.884222474,-1717.913947,2.745086684,1
6399,CC(=O)OCC(COCC(COC(C)=O)(COC(C)=O)COC(C)=O)(COC(C)=O)COC(C)=O,nan,nan,nan,[0.418024691],[506.5],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.849361495,-5427.304435,11.43626438,1
6402,ClCCOCCOCCOCCCl,nan,nan,nan,[0.418024691],[231.12],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.849361495,-5860.784714,12.65455464,1
6404,OCCOCCOCCOCCOCCOCCOCCOCCO,nan,nan,nan,[0.234799769],[370.44],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.3507378,-5032.432785,10.5416201,1
6406,C(COCCOCCOCCO)O,nan,nan,nan,[0.234799769],[194.23],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.3507378,-4231.623908,8.562151988,1
6408,COCCOCCOCCOCCOC,nan,nan,nan,[0.234799769],[222.28],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.3507378,-3032.190939,5.900800519,1
6410,COCCOCCOCCOCCO,nan,nan,nan,[0.234799769],[208.25],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.3507378,-3328.992197,6.477248401,1
6412,COCCOCCOCCOCC1COB(B2OCC(O2)COCCOCCOCCOC)O1,nan,nan,nan,[0.954031838],[570.25],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.167924212,-2743.122127,4.879584077,0.951260888
6414,COCCOCCOCCOCC1COB(C2=CC=C(B3OCC(O3)COCCOCCOCCOC)C=C2)O1,nan,nan,nan,[0.959914546],[494.15],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.145536955,-3872.572515,7.557614648,0.986311848
6416,COCCOCCOCCOCC1COB(B2OCC(O2)COCCOCCOCCOC)O1,nan,nan,nan,[0.985774819],[570.25],[Br-].[Li+],0.167924215,-2534.048411,3.524545882,1
6418,COCCOCCOCCOCC1COB(C2=CC=C(B3OCC(O3)COCCOCCOCCOC)C=C2)O1,nan,nan,nan,[0.987647861],[494.15],[Br-].[Li+],0.145536956,-3273.67182,5.132237431,1
6427,COCCOCCOCCOCC1=CC=CC(COCCOCCOCCOC)=C1,nan,nan,nan,[0.947551364],[430.54],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.19290811,-2497.754621,4.386110221,1
6429,COCCOCCOCCOCC1=C(COCCOCCOCCOC)C=CC=C1,nan,nan,nan,[0.947551364],[430.54],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.19290811,-2124.702615,3.542008515,1
6431,COCCOCCOCCOCC1=C(COCCOCCOCCOC)C=CC=C1,nan,nan,nan,[0.749937566],[430.54],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.162097039,-4662.878252,9.425411501,1
6433,COCCOCCOCCOCC1=CC=C(COCCOCCOCCOC)C=C1,nan,nan,nan,[0.947551364],[430.54],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.19290811,-2116.141352,3.376326472,1
6435,O=C(OCCOCCOCCOC)OCCOCCOCCOC,nan,nan,nan,[0.936996869],[354.4],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.234338174,-2366.681217,4.197959084,1
6437,S=C(NCCOCCOCCOC)NCCOCCOCCOC,nan,nan,nan,[0.939248369],[368.49],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.225422126,-3554.719483,6.935424792,1
6441,COCCOCCOCCOCC1=CN(CCOCCOCCOCCOC)N=N1,nan,nan,nan,[0.752098631],[435.52],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.148743789,-4654.656689,9.591343406,1
6443,O=C(NCCOCCOCCOC)NCCOCCOCCOC,nan,nan,nan,[0.936667134],[352.43],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.235647539,-2053.228719,3.076894566,1
6447,NCCNCCNCCNCCNCCN,nan,nan,nan,[0.418024691],[232.37],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.852009855,-4256.68872,8.690303688,1
6449,NCCNCCNCCNCCN,nan,nan,nan,[0.418024691],[189.3],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.852009855,-3757.940248,7.777379619,1
6451,NCCN(CCN)CCN,nan,nan,nan,[0.418024691],[146.23],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.852009855,-4808.343472,10.37030108,1
6459,COCCOCCOCCOCCN(N=N1)C=C1COCCOCCOCCOCCN(N=N2)C=C2COCCOCCOCCOC,nan,nan,nan,[0.974753484],[692.81],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.090266314,-3397.810557,7.1744637,1
6460,COCCOCCOCCOCCN(N=N1)C=C1COCCOCCOCCOCCN(N=N2)C=C2COCCOCCOCCOC,nan,nan,nan,[0.966747982],[692.81],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.119873665,-3288.42156,6.564714075,1
6461,COCCOCCOCCOCCN(N=N1)C=C1COCCOCCOCCOCCN(N=N2)C=C2COCCOCCOCCOC,nan,nan,nan,[0.944107924],[692.81],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.206323002,-3438.636238,6.930603597,1
6462,COCCOCCOCCOCCN(N=N1)C=C1COCCOCCOCCOCCN(N=N2)C=C2COCCOCCOCCOC,nan,nan,nan,[0.828360898],[692.81],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.722130507,-8000.572816,20.20326857,1
6463,COCCOCCOCCOCCN(N=N1)C=C1COCCOCCOCCOCCN(N=N2)C=C2COCCOCCOCCOC,nan,nan,nan,[0.960208335],[692.81],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.144426102,-2969.754765,5.488759089,1
6469,C1COC(=O)O1,[Cu]OCC[Au],O=C1OC(C)CO1,nan,"[0.375, 0.358767968, 0.125]","[88.01604399, 4000000.0, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-2154.044615,3.379159746,0.955517269
6472,[Cu]OCC[Au],O=C1OC(C)CO1,C1COC(=O)O1,nan,"[0.358767968, 0.25, 0.25]","[4000000.0, 102.0316941, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-2098.976612,3.12515909,0.965969783
6475,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.358767968, 0.5]","[4000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-2566.357764,4.236310335,0.963214512
6477,O=C1OC(C)CO1,[Cu]OCC[Au],C1COC(=O)O1,nan,"[0.375, 0.358767968, 0.125]","[102.0316941, 4000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-2131.785299,3.066937739,0.957533687
6484,[Cu]OCC[Au],O=C1OC(C)CO1,nan,nan,"[0.358767968, 0.5]","[4000000.0, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386175,-3185.794073,5.831668855,0.934381295
6546,[Cu]OCC[Au],nan,nan,nan,[0.921295313],[500.0],F[B-](F)(F)F.[Li+],0.908059024,-1387.926095,1.138350437,0.987399833
6552,[Cu]OCC[Au],nan,nan,nan,[0.912173722],[500.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.908059024,-1155.257401,0.544793421,0.736341698
6620,[Cu]OCC[Au],nan,nan,nan,[0.952248288],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.472939841,-4688.575361,8.363831425,0.951290645
6629,[Cu]OCC[Au],nan,nan,nan,[0.773070322],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.76846765,-4190.232212,7.450643807,0.967773492
6632,[Cu]OCC[Au],nan,nan,nan,[0.713685463],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],3.783586833,-4120.855174,6.294703394,0.981297341
6638,[Cu]OCC[Au],nan,nan,nan,[0.554830405],[4000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],7.567150965,-6568.950732,12.26945606,0.954035913
6641,[Cu]OCC[Au],nan,nan,nan,[0.824014596],[5000000.0],F[B-](F)(F)F.[Li+],2.27014756,-4038.859457,6.945973393,0.845532248
6705,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.8],[257000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-1864.670886,1.614086519,0.998871189
6708,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.72],[338000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.354588766,-2859.812563,4.478094451,0.974438672
6717,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.72],[257000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.354588766,-2136.508234,2.810902397,0.988512533
6718,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.72],[256000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.354588766,-2416.693491,3.460741908,0.994041567
6724,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.72],[246000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.354588766,-2612.790264,3.605204081,0.989827412
6744,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.64],[338000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959315894,-2998.132219,4.164405816,0.996302553
6753,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.64],[257000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959315894,-2170.409022,2.967148437,0.99181949
6757,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.64],[246000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959315894,-2859.549158,4.441286382,0.991575407
6758,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.64],[256000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959315894,-2388.225495,3.191651377,0.987913085
6780,[Cu]OC(=O)CCCCCOC(=O)OCCC[Au],nan,nan,nan,[0.56],[257000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.736822201,-2408.881089,3.22296138,0.999933275
6783,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[190.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1598.658223,2.206701746,0.994558057
6785,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[640.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1931.147245,2.765329648,0.99789678
6786,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[1000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1881.477905,2.582781238,0.995396058
6787,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1981.198403,2.763676375,0.997771949
6789,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-2071.775397,2.944306511,0.997863582
6790,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[20000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1920.152755,2.530043961,0.99756195
6791,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[4000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-2032.910987,2.832456892,0.997654199
6792,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1826.608569,2.249457478,0.997098327
6793,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-2023.009237,2.769443947,0.997479923
6795,[Cu]OCC[Au],nan,nan,nan,[0.643491883],[360000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.929625426,-1973.998682,2.610089929,0.998230103
6850,[Cu]OCC[Au],nan,nan,nan,[0.884675538],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.454029512,-5038.234096,10.73397345,0.903676883
6851,[Cu]OCC[Au],nan,nan,nan,[0.793200157],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.908059024,-4784.192249,10.29296217,0.884899159
6853,[Cu]OCC[Au],nan,nan,nan,[0.657275654],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.816118048,-2194.508187,3.255867717,0.98160561
6854,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-2315.884836,3.576941168,0.953020466
6855,[Cu]OCC[Au],nan,nan,nan,[0.561120778],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.724177072,-2252.287665,3.373205537,0.929679705
6856,[Cu]OCC[Au],nan,nan,nan,[0.522874332],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.178206583,-2544.302684,4.128507872,0.952067037
6857,[Cu]OCC[Au],nan,nan,nan,[0.489509002],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.632236095,-2625.98343,4.376168831,0.970277375
6863,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.976607002],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.083480511,-1976.590282,2.121268211,0.991360807
6864,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.943500059],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.20870128,-2737.462942,3.993814389,0.9904096
6865,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.970928768],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.10435064,-2084.070767,2.327240832,0.989316233
6869,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.982352042],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.062610383,-2930.613811,4.459809482,0.914843589
6872,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.917578493],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.313051922,-3186.548809,4.878557043,0.991705174
6895,CC(C)C[Si](O[Si](CC(C)C)(O1)O[Si]2(CCCOC(C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC)[Au])=O)O3)(O[Si](O4)(O[Si]1(CC(C)C)O[Si]5(CCC)O2)CC(C)C)O[Si]3(CC(C)C)O[Si]4(O5)CC(C)C,nan,nan,nan,[0.994047312],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.020870128,-3548.302621,5.514147815,0.859179686
6931,[Cu]OCC[Au],nan,nan,nan,[0.987131953],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.045402951,-1268.230689,-0.690620291,0.995025539
6945,[Cu]OCC[Au],nan,nan,nan,[0.967167212],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.118236852,-1329.249697,0.053637663,0.99330155
6959,[Cu]OCC[Au],nan,nan,nan,[0.951546254],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.177355278,-1350.179274,0.282599112,0.996126285
6973,[Cu]OCC[Au],nan,nan,nan,[0.936421872],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.236473704,-1420.252071,0.572939526,0.995460811
6987,[Cu]OCC[Au],nan,nan,nan,[0.925425037],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],0.354710556,-1109.263829,-1.171796338,0.993666273
7000,[Cu]OCC[Au],nan,nan,nan,[0.907571038],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.354710556,-1569.427883,1.157820714,0.996170105
7014,[Cu]OCC[Au],nan,nan,nan,[0.880444837],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.472947408,-1501.46194,1.104689947,0.995437745
7028,[Cu]OCC[Au],nan,nan,nan,[0.830782659],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.709421112,-1592.75552,1.507860322,0.998308143
7040,[Cu]OCC[Au],nan,nan,nan,[0.854558738],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],0.749148695,-1331.877595,-0.204288289,0.995965836
7053,[Cu]OCC[Au],nan,nan,nan,[0.78642381],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.945894816,-1704.133861,1.880203159,0.997213957
7064,[Cu]OCC[Au],nan,nan,nan,[0.756236182],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],1.418842225,-1559.819998,0.624348328,0.994895599
7077,[Cu]OCC[Au],nan,nan,nan,[0.71054596],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.418842225,-1929.394319,2.575498288,0.996252201
7087,[Cu]OCC[Au],nan,nan,nan,[0.699406206],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],1.891789633,-1660.736434,0.893476708,0.997291397
7100,[Cu]OCC[Au],nan,nan,nan,[0.627929292],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.063770509,-2133.152781,3.119417977,0.994763084
7114,[Cu]OCC[Au],nan,nan,nan,[0.65974326],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],2.27014756,-1741.28181,1.071780552,0.997359822
7127,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-2341.995728,3.646069648,0.994882608
7141,[Cu]OCC[Au],nan,nan,nan,[0.479313778],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.783579266,-2397.30433,3.697039416,0.995483692
7152,[Cu]OCC[Au],nan,nan,nan,[0.434107065],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.540295119,-2967.079612,4.865689563,0.994828287
7165,[Cu]OCC[Au],nan,nan,nan,[0.3803042],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.675368899,-3102.230376,5.033988554,0.993614406
7179,[Cu]OCC[Au],nan,nan,nan,[0.289441648],[4200.0],COCCC[N-]S(=O)(=O)C(F)(F)F.[Li+],10.80590238,-1421.095074,0.150100592,0.995198318
7192,[Cu]OCC[Au],nan,nan,nan,[0.234799769],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.3507378,-3081.279335,4.139459496,0.999499243
7198,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-3156.223882,4.245977245,0.896248882
7231,[Cu]OCC[Au],nan,nan,nan,[0.818710574],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.418842225,-3615.989882,5.959439721,0.935410069
7332,[Cu]OCC[Au],nan,nan,nan,[0.789288771],[5000000.0],F[B-](F)(F)F.[Li+],2.837684449,-9626.711832,24.10367343,0.961715488
7367,[Cu]OCC[Au],nan,nan,nan,[0.693065185],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.837684449,-3902.91265,6.074044125,0.949585272
7400,[Cu]OCC[Au],nan,nan,nan,[0.621040054],[5000000.0],F[B-](F)(F)F.[Li+],6.486135885,-1928.923307,-0.272113114,0.950042893
7430,[Cu]OCC[Au],nan,nan,nan,[0.496952559],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],6.486135885,-1816.752844,-1.461105607,0.876990371
8191,COCCOCCOC,nan,nan,nan,[0.754207651],[134.18],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-582.1809958,-0.103617558,0.99812221
8200,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[1053.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-1726.215283,2.175699592,0.996645501
8211,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[2480.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-2026.835835,2.930988435,0.995786869
8222,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[515.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-1363.816598,1.520516984,0.998437842
8233,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[266.34],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-995.1883949,0.749895657,0.997774521
8242,COCCOCCOCCOCCOC,nan,nan,nan,[0.754207651],[222.28],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-896.8919452,0.504033819,0.997688333
8251,COCCOCCOCCOC,nan,nan,nan,[0.754207651],[178.23],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-721.0382974,0.076872322,0.998711163
8260,COCCOCCOC,nan,nan,nan,[0.605403983],[134.18],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-751.8122866,0.394257577,0.997755391
8269,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[1053.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-1789.204628,2.408391214,0.997278242
8280,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[2480.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-2509.918988,4.316934646,0.99380349
8291,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[515.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-1746.510266,2.618137631,0.996300826
8302,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[266.34],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-1285.395361,1.59072256,0.996996311
8311,COCCOCCOCCOCCOC,nan,nan,nan,[0.605403983],[222.28],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-1107.264918,1.153458305,0.94471431
8320,COCCOCCOCCOC,nan,nan,nan,[0.605403983],[178.23],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-1037.457435,0.973342748,0.95080063
8329,[Cu]OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)[Au],nan,nan,nan,[0.940670266],[1819.72581],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.219813334,-812.6325229,-2.592337212,0.786551612
8375,[Cu]OCC[Au],nan,nan,nan,[0.805992712],[100000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.27014756,-4600.084263,6.803713711,0.968286667
8378,[Cu]OCC[Au],nan,nan,nan,[0.954069927],[968.4923809],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.454314367,-3641.788022,6.650903928,0.906559144
8380,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[968.4923809],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13578591,-4147.410583,7.982898219,0.962845976
8383,[Cu]OCC[Au],nan,nan,nan,[0.976495174],[968.4923809],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.227157187,-3974.370296,7.416807669,0.847399678
8387,[Cu]OCC[Au],nan,nan,nan,[0.805992712],[968.4923809],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.27157182,-4791.566392,9.534070691,0.978742578
8425,[Cu]OCC[Au],nan,nan,nan,[0.758712134],[4000000.0],O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Li+].[Li+],1.261194098,-5355.590254,9.419331036,0.922272036
8434,[Cu]OCC[Au],nan,nan,nan,[0.868478065],[4000000.0],O=C([O-])C(F)(F)F.[Li+],1.261194098,-6113.696345,11.64373369,0.994677926
8441,[Cu]OCC[Au],nan,nan,nan,[0.835540994],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.261194098,-5449.552299,11.2718432,0.967563267
8448,[Cu]OCC[Au],nan,nan,nan,[0.642979487],[4000000.0],O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Li+],2.522385925,-5676.568146,10.77168183,0.945486131
8457,[Cu]OCC[Au],nan,nan,nan,[0.611230014],[4000000.0],O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Li+].[Li+],2.522385925,-6178.332654,11.60231341,0.915157044
8466,[Cu]OCC[Au],nan,nan,nan,[0.699756173],[4000000.0],O=C([O-])C(F)(F)C(F)(F)F.[Li+],2.522385925,-5063.174701,9.210238932,0.949399532
8476,[Cu]OCC[Au],nan,nan,nan,[0.767531074],[4000000.0],O=C([O-])C(F)(F)F.[Li+],2.522385925,-5948.832702,11.05366674,0.989890392
8486,[Cu]OCC[Au],nan,nan,nan,[0.717535956],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.522385925,-5374.269246,11.15646647,0.95607616
8496,[Cu]OCC[Au],nan,nan,nan,[0.411336077],[4000000.0],O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Li+].[Li+],5.675368899,-6907.427065,13.42627235,0.928657714
8505,[Cu]OCC[Au],nan,nan,nan,[0.594715075],[4000000.0],O=C([O-])C(F)(F)F.[Li+],5.675368899,-6002.824345,11.14522987,0.986632227
8564,[Cu]OCC[Au],nan,nan,nan,[0.717535936],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-4940.595473,9.74438802,0.974009682
8565,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.337794065, 0.645584]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],0.315298272,-4492.026374,6.733058538,0.901875038
8575,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.338943036, 0.638819]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],0.420397696,-4512.919018,7.103163663,0.924605997
8585,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.340759307, 0.625705]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],0.630596544,-4399.448444,6.786027484,0.946699721
8596,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.343067329, 0.589407]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],1.261193089,-4433.960205,7.339783374,0.969698089
8606,[Cu]OCC[Au],O=C1OC(C)CO1,nan,nan,"[0.193821525, 0.729879]","[5000000.0, 44.02238095]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-3810.18575,7.631951532,0.993938513
8607,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.417718568, 0.417843]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-3022.056908,5.39177978,0.970932841
8608,[Cu]OCC[Au],O=C1OC(C)CO1,nan,nan,"[0.312304646, 0.564754]","[5000000.0, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-3779.936044,7.458374473,0.980406214
8610,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.338582965, 0.528131]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-4232.109113,6.44211246,0.964616094
8612,[Cu]OCC[Au],O=C1OC(C)CO1,nan,nan,"[0.476141061, 0.336422]","[5000000.0, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-4091.118246,8.312738234,0.978207448
8613,[Cu]OCC[Au],O=C1OC(C)CO1,nan,nan,"[0.391645465, 0.45418]","[5000000.0, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-3108.439148,5.305944316,0.893463606
8625,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.215430837, 0.699763]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-4221.135928,8.318409292,0.976594945
8626,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.499221322, 0.304256]","[5000000.0, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-5044.385689,10.73453182,0.948193453
8633,[Cu]OCC[Au],C1COC(=O)O1,O=C1OC(C)CO1,nan,"[0.404261899, 0.2182985, 0.2182985]","[5000000.0, 88.01604399, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],2.522386177,-3619.313584,6.397258727,0.972917754
8720,[Cu]OCC[Au],nan,nan,nan,[0.585279577],[4000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],4.540295119,-4519.021296,7.359320108,0.914574587
8759,[Cu]OCC[Au],nan,nan,nan,[0.926790089],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],0.454029512,-2880.812707,4.30939061,0.99522656
8760,[Cu]OCC[Au],nan,nan,nan,[0.918292645],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],0.454029512,-2603.949833,3.735841414,0.985671006
8761,[Cu]OCC[Au],nan,nan,nan,[0.959035612],[5000000.0],F[B-](F)(F)F.[Li+],0.454029512,-4324.428802,7.071961939,0.996054061
8762,[Cu]OCC[Au],nan,nan,nan,[0.93541276],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.454029512,-3282.492865,5.110226342,0.992551764
8763,[Cu]OCC[Au],nan,nan,nan,[0.933830179],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.454029512,-3373.489872,5.063204108,0.995291291
8764,[Cu]OCC[Au],nan,nan,nan,[0.863568328],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],0.908059024,-2787.40399,4.411805052,0.996287863
8765,[Cu]OCC[Au],nan,nan,nan,[0.84892891],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],0.908059024,-2358.543189,3.502998262,0.993544151
8766,[Cu]OCC[Au],nan,nan,nan,[0.921295313],[5000000.0],F[B-](F)(F)F.[Li+],0.908059024,-4059.740834,6.548036894,0.996501859
8767,[Cu]OCC[Au],nan,nan,nan,[0.878662381],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.908059024,-2828.608145,3.990028244,0.994267841
8768,[Cu]OCC[Au],nan,nan,nan,[0.875873769],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.908059024,-3303.979872,5.054024239,0.995478566
8774,[Cu]OCC[Au],nan,nan,nan,[0.789288771],[100000.0],F[B-](F)(F)F.[Li+],2.837684449,-6464.911987,13.88969035,0.828580369
8780,[Cu]OCC[Au],nan,nan,nan,[0.903517546],[900000.0],F[B-](F)(F)F.[Li+],1.13507378,-7423.249086,17.31408191,0.733913243
8795,[Cu]OCC[Au],nan,nan,nan,[0.79776096],[400000.0],[I-].[Li+],1.891789633,-9959.10584,26.55219013,0.999378673
8857,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[900000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-2922.13174,4.987519625,0.787787757
8867,[Cu]OCC[Au],nan,nan,nan,[0.768708928],[900000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.837684449,-3673.064478,6.786225795,0.981605615
8884,[Cu]OCC[Au],nan,nan,nan,[0.713685872],[900000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],3.783579266,-3829.471192,6.892606288,0.961613271
8896,[Cu]OCC[Au],nan,nan,nan,[0.976495174],[1000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.227014756,-2722.701084,3.878586846,1
8898,[Cu]OCC[Au],nan,nan,nan,[0.965783024],[1000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.227014756,-1666.236365,0.108708251,1
8900,[Cu]OCC[Au],nan,nan,nan,[0.943239166],[1000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.56753689,-1733.070095,1.803210055,1
8902,[Cu]OCC[Au],nan,nan,nan,[0.910403044],[1000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.630596544,-2611.595521,3.13451353,1
8904,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[1000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-2382.580867,3.620014447,1
8906,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[1000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-3081.307128,4.420302214,1
8908,[Cu]OCC[Au],nan,nan,nan,[0.832924964],[1000000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.891789633,-4337.241442,8.303250081,1
8910,[Cu]OCC[Au],nan,nan,nan,[0.772055413],[1000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.891789633,-3452.758302,5.211079871,1
8913,[Cu]OCC[Au],nan,nan,nan,[0.744575495],[600000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.194814505,-2900.149229,5.557057656,0.984357271
8933,[Cu]OCC[Au],N#CCCC#N,nan,nan,"[0.512148878, 0.249413044]","[600000.0, 80.03744813]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.621533971,-2103.904541,3.827551545,0.98181121
8953,[Cu]OCC[Au],N#CCCC#N,nan,nan,"[0.378701657, 0.361473292]","[600000.0, 80.03744813]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.38962901,-2929.933915,6.626120255,0.945859207
8973,N#CCCC#N,[Cu]OCC[Au],nan,nan,"[0.398667328, 0.261042761]","[80.03744813, 600000.0]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.540295119,-3342.944991,7.850205253,0.966053806
8993,[Cu]OCC[Au],nan,nan,nan,[0.789288771],[900000.0],F[B-](F)(F)F.[Li+],2.837684449,-7936.193515,18.69035838,0.948522717
9007,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[100000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-8604.392241,20.50483976,0.917055223
9015,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[600000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-5300.645867,10.87061292,0.918337589
9049,[Cu]OCC[Au],nan,nan,nan,[0.869231693],[400000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.418842225,-6917.829523,18.05437359,0.798518555
9063,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-5785.361439,12.17259382,0.956662754
9064,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[500000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-5960.858976,12.55467376,0.961765195
9065,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[6000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-5383.804205,11.2068304,0.973912678
9068,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[900000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-6515.702678,13.82809314,0.944767229
9092,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.8],[37000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-5091.37487,9.503441582,0.997261181
9101,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.6],[37000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-4293.442849,7.597697169,0.992574919
9111,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.4],[37000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-3645.534306,6.082461704,0.994561251
9122,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.2],[37000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-2966.340672,4.588516758,0.955729664
9130,[Cu]OCC[Au],nan,nan,nan,[0.875649939],[4000000.0],N#Cc1nn[n-]c1C#N.[Li+],1.13507378,-1757.490508,1.713474681,0.968582189
9149,[Cu]OCC[Au],nan,nan,nan,[0.82095228],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],1.13507378,-5276.793399,12.15616687,0.939389948
9173,[Cu]OCC[Au],nan,nan,nan,[0.773843603],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],1.520998865,-6385.701433,15.07866959,0.949742172
9197,[Cu]OCC[Au],nan,nan,nan,[0.734191744],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],1.884222474,-6431.508429,15.16571103,0.934045553
9221,[Cu]OCC[Au],nan,nan,nan,[0.647146991],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],2.837684449,-4775.673364,10.06067778,0.871745319
9251,[Cu]OCC[Au],nan,nan,nan,[0.578554386],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],3.791146425,-4403.571774,8.535867379,0.932094773
9281,[Cu]OCC[Au],nan,nan,nan,[0.534076657],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],4.540295119,-3408.881168,5.24227377,0.909518505
9311,[Cu]OCC[Au],nan,nan,nan,[0.47835721],[5000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],5.675368899,-3697.14333,5.85535899,0.946652181
9341,[Cu]OCC[Au],nan,nan,nan,[0.935563155],[5000000.0],N#C[C-](C#N)C#N.[Li+],0.709421112,-4703.899894,9.935205542,0.907610168
9349,[Cu]OCC[Au],nan,nan,nan,[0.900738699],[5000000.0],N#C[C-](C#N)C#N.[Li+],1.13507378,-4178.17464,8.591915027,0.913145573
9357,[Cu]OCC[Au],nan,nan,nan,[0.754207651],[5000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-3584.465574,7.120708047,0.928987629
9365,[Cu]OCC[Au],nan,nan,nan,[0.878927819],[5000000.0],N#C[C-](C#N)C#N.[Li+],1.418842225,-4090.720874,8.37791214,0.876713975
9373,[Cu]OCC[Au],nan,nan,nan,[0.844833102],[5000000.0],N#C[C-](C#N)C#N.[Li+],1.891782066,-4227.299183,8.756359831,0.890549486
9381,[Cu]OCC[Au],nan,nan,nan,[0.82095228],[4000000.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],1.13507378,-2418.956208,2.178797231,0.995561298
9388,[Cu]OCC[Au],nan,nan,nan,[0.824862367],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.13507378,-6207.804227,14.62669474,0.916796424
9404,[Cu]OCC[Au],nan,nan,nan,[0.992811622],[500.0],N#Cc1nc(C(F)(F)C(F)(F)F)[n-]c1C#N.[Li+],0.029897843,-1182.617216,-0.685950351,0.999119229
9410,[Cu]OCC[Au],nan,nan,nan,[0.994288122],[500.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.029897843,-1134.115509,-0.857276111,0.98238941
9416,[Cu]OCC[Au],nan,nan,nan,[0.977867066],[500.0],N#Cc1nc(C(F)(F)C(F)(F)F)[n-]c1C#N.[Li+],0.093461975,-1209.093885,-0.27373395,0.996759461
9422,[Cu]OCC[Au],nan,nan,nan,[0.98235865],[500.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.093461975,-1218.518875,-0.190272175,0.997269275
9428,[Cu]OCC[Au],nan,nan,nan,[0.932465059],[500.0],N#Cc1nc(C(F)(F)C(F)(F)F)[n-]c1C#N.[Li+],0.29906924,-1191.964063,0.219748205,0.995556596
9434,[Cu]OCC[Au],nan,nan,nan,[0.945658353],[500.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.29906924,-1293.670344,0.542800336,0.973151797
9440,[Cu]OCC[Au],nan,nan,nan,[0.8154426],[500.0],N#Cc1nc(C(F)(F)C(F)(F)F)[n-]c1C#N.[Li+],0.934574347,-1294.447932,0.831383873,0.9848532
9446,[Cu]OCC[Au],nan,nan,nan,[0.84776452],[500.0],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],0.934574347,-1325.40408,0.845949172,0.984157836
9452,[Cu]OCC[Au],nan,nan,nan,[0.9666287],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.227014756,-9289.979362,22.53520719,0.984974487
9456,[Cu]OCC[Au],nan,nan,nan,[0.93541276],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.454029512,-10216.36064,25.26614418,0.988697654
9460,[Cu]OCC[Au],nan,nan,nan,[0.896799201],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.756708286,-8362.524215,20.60757917,0.980350062
9464,[Cu]OCC[Au],nan,nan,nan,[0.896798276],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],0.756715853,-7058.222617,15.67863225,0.945583364
9486,[Cu]OCC[Au],nan,nan,nan,[0.852793401],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],1.13507378,-9815.598054,24.25021574,0.989764892
9490,[Cu]OCC[Au],nan,nan,nan,[0.822523191],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],1.418842225,-10097.40161,25.06103987,0.978500104
9494,[Cu]OCC[Au],nan,nan,nan,[0.776582152],[4000000.0],F[P-](F)(F)(F)(F)F.[Li+],1.891782066,-7976.175994,18.39677242,0.994358642
9498,[Cu]OCC[Au],nan,nan,nan,[0.922427021],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],0.354710556,-4036.054029,7.839426223,0.951539273
9506,[Cu]OCC[Au],nan,nan,nan,[0.856022784],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],0.709421112,-3538.802437,6.531351893,0.927938849
9521,[Cu]OCC[Au],nan,nan,nan,[0.787954304],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],1.13507378,-3706.609632,7.371899336,0.943321462
9536,[Cu]OCC[Au],nan,nan,nan,[0.748286567],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],1.418842225,-2317.322713,3.38835149,0.902982376
9544,[Cu]OCC[Au],nan,nan,nan,[0.690362951],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],1.891782066,-2298.790699,3.579808729,0.978932292
9552,[Cu]OCC[Au],nan,nan,nan,[0.597809808],[5000000.0],O=S(=O)(F)[N-]S(=O)(=O)C(F)(F)F.[Li+],2.837684449,-2870.032116,4.879458745,0.966774228
9560,[Cu]OCC[Au],nan,nan,nan,[0.850494575],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.454029512,-5003.006802,10.86225817,0.925322357
9568,[Cu]OCC[Au],nan,nan,nan,[0.799284009],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],0.648603859,-4367.150945,9.25245088,0.930913879
9576,[Cu]OCC[Au],nan,nan,nan,[0.694701998],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],1.13507378,-3979.26625,8.138570056,0.902848994
9584,[Cu]OCC[Au],nan,nan,nan,[0.645439176],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],1.418842225,-3809.375643,7.767660879,0.89214686
9592,[Cu]OCC[Au],nan,nan,nan,[0.577220359],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],1.891782066,-3589.422048,7.055632981,0.912997151
9600,[Cu]OCC[Au],nan,nan,nan,[0.476493314],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],2.837684449,-3378.948147,6.320224488,0.958514497
9608,[Cu]OCC[Au],nan,nan,nan,[0.312760894],[4000000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+],5.675368899,-6752.263657,14.89072397,0.986157732
9616,[Cu]OCC[Au],nan,nan,nan,[0.957794772],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.227014756,-3182.520769,5.71077022,0.917533956
9624,[Cu]OCC[Au],nan,nan,nan,[0.919007837],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.454029512,-2123.12265,3.000001361,0.967407822
9632,[Cu]OCC[Au],nan,nan,nan,[0.888179833],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],0.648603859,-2905.163786,5.456614916,0.924623002
9640,[Cu]OCC[Au],nan,nan,nan,[0.81945383],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],1.13507378,-3565.708615,7.438290736,0.922387631
9648,[Cu]OCC[Au],nan,nan,nan,[0.694131116],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],2.27014756,-3421.285175,6.57486447,0.986365238
9656,[Cu]OCC[Au],nan,nan,nan,[0.531547328],[100000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],4.540295119,-7322.954893,16.61949025,0.970982129
9704,[Cu]OCC[Au],nan,nan,nan,[0.694999743],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],2.522383655,-3072.216504,4.364222221,0.994081503
9708,[Cu]OCC[Au],nan,nan,nan,[0.669201256],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],2.522383655,-2399.250943,2.842682279,0.995259543
9712,[Cu]OCC[Au],nan,nan,nan,[0.808211049],[5000000.0],F[B-](F)(F)F.[Li+],2.522383655,-3848.167398,4.870619234,0.998353563
9716,[Cu]OCC[Au],nan,nan,nan,[0.722755978],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],2.522383655,-3092.566278,4.076012537,0.999291071
9720,[Cu]OCC[Au],nan,nan,nan,[0.717536139],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.522383655,-3255.293255,4.133337493,0.998013234
9724,[Cu]OCC[Au],nan,nan,nan,[0.558681127],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],4.540295119,-3235.133984,2.909449772,0.999245451
9728,[Cu]OCC[Au],nan,nan,nan,[0.529163614],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],4.540295119,-3199.003866,2.994793833,0.99765107
9732,[Cu]OCC[Au],nan,nan,nan,[0.700701381],[5000000.0],F[B-](F)(F)F.[Li+],4.540295119,-4135.420248,4.110254308,0.998594165
9736,[Cu]OCC[Au],nan,nan,nan,[0.591552227],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],4.540295119,-3474.847447,3.458302494,0.998144047
9740,[Cu]OCC[Au],nan,nan,nan,[0.585279577],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],4.540295119,-3489.290494,2.892343885,0.996433089
9744,[Cu]OCC[Au],nan,nan,nan,[0.431676721],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],7.567150965,-3806.124838,2.790511196,0.999012592
9748,[Cu]OCC[Au],nan,nan,nan,[0.402745708],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],7.567150965,-3579.220164,2.389336129,0.997690254
9752,[Cu]OCC[Au],nan,nan,nan,[0.584145676],[5000000.0],F[B-](F)(F)F.[Li+],7.567150965,-4366.644314,3.320018372,0.998399718
9756,[Cu]OCC[Au],nan,nan,nan,[0.464947917],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],7.567150965,-4080.904042,3.062480983,0.999857082
9760,[Cu]OCC[Au],nan,nan,nan,[0.458510721],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],7.567150965,-5041.907458,5.483588433,0.986498894
9764,[Cu]OCC[Au],nan,nan,nan,[0.336154283],[5000000.0],Cl[Al-](Cl)(Cl)Cl.[Li+],11.3507378,-4451.242812,3.82137282,0.999974991
9768,[Cu]OCC[Au],nan,nan,nan,[0.310131689],[5000000.0],F[As-](F)(F)(F)(F)F.[Li+],11.3507378,-4424.697645,4.281875705,0.998142726
9772,[Cu]OCC[Au],nan,nan,nan,[0.483593211],[5000000.0],F[B-](F)(F)F.[Li+],11.3507378,-4877.278888,4.57559948,0.999224952
9776,[Cu]OCC[Au],nan,nan,nan,[0.366815045],[5000000.0],F[P-](F)(F)(F)(F)F.[Li+],11.3507378,-4771.249462,4.160164828,0.999887729
9780,[Cu]OCC[Au],nan,nan,nan,[0.360820273],[5000000.0],O=S(=O)([O-])C(F)(F)F.[Li+],11.3507378,-4767.589909,4.379694875,0.998468906
9785,[Cu]OCC[Au],nan,nan,nan,[0.859434955],[4000000.0],O=C1O[B-](F)(F)OC1=O.[Li+],1.13507378,-3402.414802,5.582151151,0.991456841
9792,[Cu]OCC[Au],nan,nan,nan,[0.83025862],[4000000.0],O=C1O[B-](F)(F)OC1=O.[Li+],1.418842225,-3027.075297,5.192470067,0.992700261
9799,[Cu]OCC[Au],nan,nan,nan,[0.785798492],[4000000.0],O=C1O[B-](F)(F)OC1=O.[Li+],1.891782066,-3011.342253,5.299162078,0.992466931
9806,[Cu]OCC[Au],nan,nan,nan,[0.753516829],[4000000.0],O=C1O[B-](F)(F)OC1=O.[Li+],2.27014756,-2763.305229,4.774721561,0.987219683
9822,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[20000.0],[Br-].[Li+],2.522383655,-6695.787342,14.26583199,1
9823,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[40000.0],[Br-].[Li+],2.522383655,-3707.46072,4.870708319,1
9824,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[200000.0],[Br-].[Li+],2.522383655,-4693.632426,7.78518835,1
9825,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[100000.0],[Br-].[Li+],2.522383655,-1737.728156,-1.102169231,1
9826,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[400000.0],[Br-].[Li+],2.522383655,-5296.446394,9.547708947,1
9827,[Cu]OCC[Au],nan,nan,nan,[0.821763336],[600000.0],[Br-].[Li+],2.522383655,-6360.118337,12.72063075,1
9851,[Cu]OCC[Au],nan,nan,nan,[0.310045078],[20000.0],[Cl-].[Li+],52.97010216,-3480.199708,2.406960365,0.995448555
9857,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[40000.0],[I-].[Li+],52.97010972,-6409.736855,13.42164529,1
9858,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[100000.0],[I-].[Li+],52.97010972,-3545.088799,4.52213015,1
9859,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[600000.0],[I-].[Li+],52.97010972,-2017.642616,-0.377532079,1
9860,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[200000.0],[I-].[Li+],52.97010972,-989.0962881,-3.561393547,1
9862,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[4000000.0],[I-].[Li+],52.97010972,-2865.210844,1.852210034,1
9865,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[5000000.0],[I-].[Li+],52.97010972,-3818.17213,4.534168235,1
9868,[Cu]OCC[Au],nan,nan,nan,[0.123483729],[1000000.0],[I-].[Li+],52.97010972,-2021.39474,-0.940295709,1
9877,COCCOCCOCCOCCOC,nan,nan,nan,[1.0],[222.28],O=S1(=O)[N-]S(=O)(=O)C(F)(F)C1(F)F.[Li+],4.498830304,-1647.019123,2.35205789,0.991587998
9886,COCCOCCOCCOC,nan,nan,nan,[1.0],[178.23],O=S1(=O)[N-]S(=O)(=O)C(F)(F)C1(F)F.[Li+],5.610727711,-5226.337415,11.60244238,0.972083075
9894,[Cu]OCC[Au],nan,nan,nan,[0.81945383],[600000.0],O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+],1.13507378,-6166.339199,14.859526,0.968909776
9907,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[600000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-7775.320154,18.98849586,0.96906248
9914,COCCOCCOCCOCCOC,nan,nan,nan,[0.234111773],[222.28],N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+],17.0261067,-2468.936832,3.31274819,0.926511179
9931,[Cu]OCC[Au],nan,nan,nan,[0.751410081],[600000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Li+],0.756708286,-5375.777278,11.21274853,0.96075056
9945,[Cu]OCC[Au],nan,nan,nan,[0.668336705],[600000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-4554.505231,9.356797586,0.962549584
9959,[Cu]OCC[Au],nan,nan,nan,[0.617164041],[600000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Li+],1.418842225,-4568.750832,9.504396505,0.962533615
9973,[Cu]OCC[Au],nan,nan,nan,[0.446303147],[600000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-3154.450752,5.24502553,0.993976007
9987,[Cu]OCC[Au],nan,nan,nan,[0.824862367],[4000000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.13507378,-6423.773938,15.46108777,0.959500497
10028,COCCOCCOCCOC,nan,nan,nan,[1.0],[178.23],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],5.610727711,-1503.014729,2.143163861,0.991409024
10037,[Cu]OCC[Au],nan,nan,nan,[0.892575819],[899435.7063],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.13507378,-2770.967556,4.540256754,0.788562336
10048,[Cu]OCC[Au],nan,nan,nan,[0.768708928],[899435.7063],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.837684449,-3753.707888,7.043421905,0.983229777
10064,[Cu]OCC[Au],nan,nan,nan,[0.713277429],[899435.7063],[Li+].[O-][Cl+3]([O-])([O-])[O-],3.791146425,-3846.602748,6.956585087,0.962222682
10076,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.881897149],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.466441375,-7761.364409,16.63764049,0.991153544
10089,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.822144755],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.753482222,-6247.444189,12.64144167,0.995157955
10102,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.739897846],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.224409834,-6433.369133,13.21242102,0.997057191
10115,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.640016106],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959055735,-5839.234245,11.35870041,0.868884875
10128,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.51614674],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.265089627,-6682.798994,13.36132831,0.990033707
10143,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.415601394],[368000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.897639338,-7868.279764,16.61958144,0.994182787
10154,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.982332814],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.115241454,-4941.165122,5.880509754,0.998320963
10158,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.98597202],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.134185523,-4717.077757,5.632902953,0.994914244
10168,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.978628004],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.139935351,-4961.232078,6.348019986,0.998474298
10172,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.972957167],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.178097757,-5061.466272,6.569746771,0.997904773
10181,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.976416312],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.227799001,-4626.8451,6.917646468,0.999010733
10191,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.95815182],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.279860907,-4803.194701,7.766531363,0.999101396
10202,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.951515059],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.326506024,-4485.239229,5.349192753,0.999799383
10206,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.942376299],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.391811147,-4978.025311,6.991877176,0.999770759
10210,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.956795369],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.425879126,-4695.838183,7.833772705,0.998383578
10221,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.935028441],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.445244392,-5338.509729,8.096958942,0.99993859
10225,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.912789742],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.612204917,-4171.539479,5.332845905,0.999072563
10229,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.92601938],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.753482222,-4663.299187,8.330065765,0.999895246
10233,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.887004847],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.816269958,-4540.74875,7.561036723,0.999947969
10237,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.913728794],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.890478989,-4735.621766,8.557775954,0.999904724
10241,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.905913285],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-5132.913835,9.751303733,0.996884555
10251,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.867401934],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4548.850509,7.581810685,0.998476029
10259,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.854808071],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.088363209,-4575.358624,8.104156317,0.994966535
10270,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.885094379],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.224409834,-5297.013535,10.24631985,0.999686818
10274,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.839570575],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.224409834,-4768.75079,7.660073996,0.999807455
10278,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.820760143],[300000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.399324126,-5173.84486,9.530320417,0.995990311
10289,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.828008669],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.959055735,-5504.983312,10.9608754,0.99991943
10293,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.793873815],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.448819669,-5576.659408,11.23708005,0.999980083
10297,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.742834786],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],3.265089627,-5010.976567,10.04686938,0.999766605
10301,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.658201294],[300000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],4.897639338,-3952.786481,7.245920866,0.998991748
10311,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.82480894],[100000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.135589371,-6365.398137,11.8638681,0.999982803
10314,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.610796698],[100000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],3.406768113,-6248.257959,12.42586401,0.996626315
10320,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.484963713],[100000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],5.677946854,-4819.449006,9.156633487,0.997393223
10329,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.402120959],[100000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],7.949125596,-4540.015586,8.502016449,0.99738328
10338,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.343451659],[100000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],10.22030434,-3592.109114,6.27009905,0.994512981
10347,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.876702207],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.489586546,-2559.73248,3.641123773,0.98944475
10356,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.879167326],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],0.734376147,-2961.219749,4.958961609,0.993785608
10365,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.825793701],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.734376147,-2604.768257,3.866573406,0.988155408
10374,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.784387667],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.468752295,-3275.148104,5.919834318,0.99085764
10383,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.703278207],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.468752295,-2939.492758,4.706957661,0.990386965
10392,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.592698128],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],3.671880737,-2519.875616,3.92452658,0.998626444
10401,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.486669872],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.671880737,-3516.809713,6.132801304,0.994675647
10410,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.421159199],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],7.343761475,-2498.474622,4.265404309,0.993205984
10419,[Cu]OS(=O)OCCCC[Au],nan,nan,nan,[0.321588702],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],7.343761475,-3741.63489,6.573877706,0.986121467
10452,[Cu]CCCCCCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[12900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.22902024,-2076.659138,2.522706566,0.988813503
10462,[Cu]CCCCCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[19000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.313974115,-2108.624551,2.832033689,0.987381103
10472,[Cu]CCCCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[4700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.377410468,-2161.727485,2.934586954,0.983285098
10482,[Cu]CCCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[7100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.447335094,-1965.823027,2.359931714,0.991330864
10493,[Cu]CCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[7400.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.566630765,-2228.256258,3.094434827,0.989267538
10503,[Cu]CCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[1.0],[6700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.610824742,-2237.080309,3.42463278,0.987388605
10564,[Cu]OC(=O)OCC(CC)(COCC=C)C[Au],nan,nan,nan,[0.900654938],[10062.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.382245081,-3564.604095,4.166211,0.985408299
10573,[Cu]OC(=O)OCC(CC)(COCC=C)C[Au],nan,nan,nan,[0.848001806],[10062.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.621148877,-3683.271403,5.15699558,0.983131121
10582,[Cu]OC(=O)OCC(CC)(COCC=C)C[Au],nan,nan,nan,[0.777128527],[10062.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.993838203,-2552.238995,2.293697043,0.983846414
10591,[Cu]OC(=O)OCC(CC)(COCC=C)C[Au],nan,nan,nan,[0.67659903],[10062.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.656395349,-3300.070388,4.472200745,0.980175342
10613,[Cu]OC(=O)OCCOCCOCC[Au],nan,nan,nan,[0.710516893],[8103.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.419083839,-2629.281056,3.722460794,0.998877926
10624,[Cu]OC(=O)OCCOCC[Au],nan,nan,nan,[0.647972181],[7603.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.892219195,-2780.157429,3.750827389,0.997573328
10636,[Cu]C(=O)COCC(=O)OC(COCCOCCOC)CO[Au],nan,nan,nan,[0.980733076],[6100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.068427535,-2706.889123,3.162660405,0.975942563
10648,[Cu]C(=O)CCCC(=O)OC(COCCOCCOC)CO[Au],nan,nan,nan,[0.980604187],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.068891874,-1940.216006,1.012072143,0.977133238
10660,[Cu]C(=O)COCC(=O)OC(COCC=C)CO[Au],nan,nan,nan,[0.975664426],[8900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.086877199,-3297.426771,4.725234552,0.972105687
10669,[Cu]C(=O)CCCC(=O)OC(COCC=C)CO[Au],nan,nan,nan,[0.97545844],[10400.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.087627059,-1974.283586,0.928243159,0.977627148
10681,[Cu]C(=O)COCC(=O)OC(C)CO[Au],nan,nan,nan,[0.968080868],[8000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.114843526,-4971.795892,8.682499791,0.968333905
10687,[Cu]C(=O)CCCC(=O)OC(C)CO[Au],nan,nan,nan,[0.967725562],[8800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.11615751,-2436.634739,2.039703651,0.967996194
10701,[Cu]OCC[Au],nan,nan,nan,[1.0],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.151343171,-1271.498589,0.195813527,0.86151865
10725,[Cu]C(=O)COCC(=O)OC(COCCOCCOC)CO[Au],nan,nan,nan,[0.835802912],[6100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.684275352,-2943.498555,4.25766157,0.866253515
10736,[Cu]C(=O)CCCC(=O)OC(COCCOCCOC)CO[Au],nan,nan,nan,[0.834867742],[4200.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.688918742,-2537.003338,3.202804262,0.985930364
10754,[Cu]C(=O)COCC(=O)OC(COCC=C)CO[Au],nan,nan,nan,[0.800367747],[8900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.868771991,-4078.484133,7.614440957,0.989461877
10762,[Cu]C(=O)CCCC(=O)OC(COCC=C)CO[Au],nan,nan,nan,[0.798983687],[10400.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.876270592,-2397.922151,2.637082076,0.987624746
10781,[Cu]C(=O)COCC(=O)OC(C)CO[Au],nan,nan,nan,[0.752040535],[8000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.148435257,-5526.062592,10.75589996,0.995244941
10787,[Cu]C(=O)CCCC(=O)OC(C)CO[Au],nan,nan,nan,[0.749901665],[8800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.161575096,-2978.151682,4.133504334,0.981826262
10803,[Cu]OCC[Au],nan,nan,nan,[1.0],[5000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.513431706,-1676.950757,1.781130727,0.988450159
10817,[Cu]OCC[Au],nan,nan,nan,[0.938809381],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.227014756,-1397.751505,0.548831838,0.995893015
10824,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.253957504,-1850.889221,1.2823925,0.994146711
10840,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.507915009,-2217.723964,2.916883119,0.993822863
10849,[Cu]OCC[Au],nan,nan,nan,[0.793200157],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.908059024,-1607.413007,1.515108084,0.997375497
10856,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.015830018,-2340.53466,3.270725,0.991540219
10865,[Cu]OCC[Au],nan,nan,nan,[0.718869143],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.362088536,-1747.727406,1.954045362,0.997400533
10872,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.523745027,-3204.155681,5.716685706,0.988637609
10888,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.031660036,-3840.835163,7.597584284,0.977370708
10897,[Cu]OCC[Au],nan,nan,nan,[0.605403983],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-2054.58714,2.761797767,0.995776541
10904,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.539575044,-4478.587132,9.080853708,0.979916059
10913,[Cu]OCC[Au],nan,nan,nan,[0.561120778],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.724177072,-2147.353262,2.986383574,0.995290792
10920,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.047490053,-4353.316003,8.569241366,0.977462518
10929,[Cu]OCC[Au],nan,nan,nan,[0.522874332],[100000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.178206583,-2240.287533,3.259078849,0.99512895
10936,[Cu]OCOCCOCC[Au],nan,nan,nan,[1.0],[55000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.555405062,-4618.792461,9.211696111,0.974847657
10967,[Cu]CC(C(=O)OCC1OC(=O)OC1)[Au],nan,nan,nan,[0.749862],[9000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.16184501,-6548.524838,11.79805934,0.976050508
10980,[Cu]CC(C(=O)OCC1OC(=O)OC1)[Au],nan,nan,nan,[0.666503122],[9000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.742767515,-3992.488763,7.206080033,0.988496011
10988,[Cu]CC(C)(C(=O)OCCCCC1OC(=O)OC1)[Au],nan,nan,nan,[0.665256315],[27000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.752541185,-5763.719258,9.935997661,0.981138111
11001,[Cu]CC(O)[Au],nan,nan,nan,[0.3803042],[125000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.675368899,-6543.948801,13.24258663,0.992477031
11007,[Cu]CC(O)[Au],nan,nan,nan,[0.530298204],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],5.675368899,-6661.166203,13.30537519,0.820165785
11013,[Cu]CC(O)[Au],nan,nan,nan,[0.624311299],[125000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],5.675368899,-6876.117138,13.17464835,0.978821683
11019,[Cu]OC(=O)OC(COC1=CC=CC=C1)C[Au],nan,nan,nan,[0.871184448],[15000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.514959576,-7855.279298,14.27496534,1
11021,[Cu]OC(=O)OC(COC(C)(C)C)C[Au],nan,nan,nan,[0.858499294],[44000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.574052813,-6661.176271,12.24630498,0.978108888
11025,[Cu]OC(=O)OC(COCCCC)C[Au],nan,nan,nan,[0.858499294],[190000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.574052813,-4005.21651,6.043975998,0.988126541
11030,[Cu]OC(=O)OC(COCCOC)C[Au],nan,nan,nan,[0.859867091],[17000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.567633536,-3573.864693,6.145387086,0.997533132
11035,[Cu]OC(=O)OC(CCC)C[Au],nan,nan,nan,[0.81925745],[22000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.768403258,-5901.626587,10.9065578,0.979466745
11040,[Cu]OC(=O)OC(COCC)C[Au],nan,nan,nan,[0.83580111],[9000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.684275352,-4132.063958,7.183671581,0.993310309
11045,[Cu]OC(=O)OC(COC(C)C)C[Au],nan,nan,nan,[0.847992872],[46000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.624336642,-4055.67662,6.919324773,0.994371367
11049,[Cu]OC(=O)OC(COCCCC)C[Au],nan,nan,nan,[0.858499294],[20900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.574052813,-2258.803373,2.796210943,0.994881993
11055,[Cu]OC(=O)OC(C)C[Au],nan,nan,nan,[0.640016106],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.959055735,-6208.065273,12.32173563,0.998414709
11060,[Cu]OC(=O)OC(CC)C[Au],nan,nan,nan,[0.669107978],[26000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.722356183,-6020.012573,10.70691535,0.98812333
11066,[Cu]OC(=O)OC(CCC)C[Au],nan,nan,nan,[0.69384935],[12000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.536806516,-5657.53967,9.652958604,0.993088276
11071,[Cu]OC(=O)OC(CC1=CC=CC=C1)C[Au],nan,nan,nan,[0.756263842],[12000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.122397441,-6497.78496,11.84761871,0.993305849
11076,[Cu]OC(=O)OCCOCC[Au],nan,nan,nan,[0.7],[47600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-4024.734237,7.224885389,0.987062414
11084,[Cu]OC(=O)OCCOCCOCC[Au],nan,nan,nan,[0.7],[35800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-3216.261014,5.502659152,0.982783987
11092,[Cu]OC(=O)OCCOCCOCCOCC[Au],nan,nan,nan,[0.7],[32400.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2838.546674,4.231126097,0.969949694
11100,[Cu]OC(=O)OCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.7],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-1969.757513,1.917833426,0.987946096
11108,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.7],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2292.390067,2.943648775,0.988538424
11116,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.7],[14700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2084.002776,2.624839503,0.986297769
11124,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.7],[22500.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-1946.604224,2.184338973,0.991549047
11132,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.7],[8300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2096.629658,2.49296299,0.955012574
11140,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.8],[22500.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-3083.427441,5.737527948,0.767367528
11148,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.6],[22500.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-2019.072029,2.204293009,0.923834145
11156,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.4],[22500.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-3279.803275,5.415882052,0.985180484
11164,[Cu]OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O[Au],nan,nan,nan,[0.2],[22500.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-4968.274678,9.4646209,0.993197056
11172,[Cu]OC(=O)OCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.8],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-2172.804084,2.588858549,0.951017429
11180,[Cu]OC(=O)OCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.6],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-3183.740924,5.38421382,0.980491721
11188,[Cu]OC(=O)OCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.4],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-4121.896027,7.39437993,0.981443773
11196,[Cu]OC(=O)OCCOCCOCCOCCOCCOCC[Au],nan,nan,nan,[0.2],[21900.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-5464.614882,10.62568177,0.968766685
11204,[Cu]OC(=O)OCCCCCCCCCCCC[Au],nan,nan,nan,[0.8],[8100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-4247.939738,7.658896141,0.931900767
11212,[Cu]OC(=O)OCCCCCCCCCCCC[Au],nan,nan,nan,[0.6],[8100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-2800.890835,3.589632684,0.993192738
11220,[Cu]OC(=O)OCCCCCCCCCCCC[Au],nan,nan,nan,[0.4],[8100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-1638.805988,1.599172065,0.982778956
11228,[Cu]OC(=O)OCCCCCCCCCCCC[Au],nan,nan,nan,[0.2],[8100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-2028.028975,3.27830084,0.8995669
11237,[Cu]OC(=O)OCCCCCCC[Au],nan,nan,nan,[0.8],[14800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-2698.043598,3.299621322,0.993273768
11245,[Cu]OC(=O)OCCCCCCC[Au],nan,nan,nan,[0.6],[14800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-4078.420504,6.87488744,0.996975659
11253,[Cu]OC(=O)OCCCCCCC[Au],nan,nan,nan,[0.4],[14800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-4917.579034,9.17005224,0.960993331
11261,[Cu]OC(=O)OCCCCCCC[Au],nan,nan,nan,[0.2],[14800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-3914.693574,6.028931724,0.937371371
11269,[Cu]OC(=O)OCCCCC[Au],nan,nan,nan,[0.8],[27700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.870807064,-3344.641469,5.5065374,0.997621464
11277,[Cu]OC(=O)OCCCCC[Au],nan,nan,nan,[0.6],[27700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.322152171,-3778.812341,6.034192712,0.984808156
11285,[Cu]OC(=O)OCCCCC[Au],nan,nan,nan,[0.4],[27700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.224842384,-4403.455226,7.767097413,0.992062088
11293,[Cu]OC(=O)OCCCCC[Au],nan,nan,nan,[0.2],[27700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.93291302,-4111.176094,6.334471261,0.996601593
11301,[Cu]OC(=O)OCCCC[Au],nan,nan,nan,[0.7],[43300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-3573.091818,5.782484129,0.964733398
11309,[Cu]OC(=O)OCCCCC[Au],nan,nan,nan,[0.7],[27700.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-3541.293835,5.678686393,0.992729383
11317,[Cu]OC(=O)OCCCCCC[Au],nan,nan,nan,[0.7],[25100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2178.882476,2.054661638,0.96051564
11325,[Cu]OC(=O)OCCCCCCC[Au],nan,nan,nan,[0.7],[14800.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2368.03339,2.867393096,0.99015908
11333,[Cu]OC(=O)OCCCCCCCC[Au],nan,nan,nan,[0.7],[15300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-3184.055693,4.715278963,0.978222819
11341,[Cu]OC(=O)OCCCCCCCCC[Au],nan,nan,nan,[0.7],[16100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2267.820979,2.295266273,0.960746718
11349,[Cu]OC(=O)OCCCCCCCCCC[Au],nan,nan,nan,[0.7],[8000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2741.306114,3.796370911,0.961696607
11357,[Cu]OC(=O)OCCCCCCCCCCCC[Au],nan,nan,nan,[0.7],[8100.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.49281211,-2874.606299,4.483260333,0.986371451
11365,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.816337012],[6945.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.783622294,-5076.304816,9.951148139,0.990727604
11376,[Cu]OC(=O)OCC(CC)(COCCCCCCC)C[Au],nan,nan,nan,[0.918349724],[19991.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.309645456,-3269.420785,3.554770876,0.989015243
11386,[Cu]OC(=O)OCC(CC)(CCCC)C[Au],nan,nan,nan,[0.890209219],[14384.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.429530201,-3840.007499,5.079377451,0.993323908
11395,[Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au],nan,nan,nan,[0.163337446],[47000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],17.8412132,-2986.347634,3.241233057,0.981930214
11404,[Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au],nan,nan,nan,[0.226507584],[47000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],11.89414213,-4356.048949,7.36895619,0.992994847
11413,[Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au],nan,nan,nan,[0.369353744],[47000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.947071067,-4488.826289,8.847068924,0.98217669
11422,[Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au],nan,nan,nan,[0.637290425],[47000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.98235504,-4123.982874,4.975622055,0.996056359
11429,[Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au],nan,nan,nan,[0.075703294],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],42.52152652,-4410.813912,6.7894721,0.991947402
11438,[Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au],nan,nan,nan,[0.140751254],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],21.26076326,-4442.371378,6.505216236,0.988828867
11447,[Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au],nan,nan,nan,[0.246769405],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],10.63038163,-4664.134803,7.678947538,0.987332624
11456,[Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au],nan,nan,nan,[0.395854123],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],5.315190815,-5385.462566,9.254473813,0.993060409
11464,[Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au],nan,nan,nan,[0.56718552],[2000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.657595408,-5019.977537,7.942833619,0.983718675
11472,[Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au],nan,nan,nan,[0.107352428],[3000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],28.96032436,-5042.502404,9.622970066,0.992807011
11481,[Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au],nan,nan,nan,[0.193890266],[3000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],14.48016218,-5264.164893,10.00087409,0.985687539
11490,[Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au],nan,nan,nan,[0.324804166],[3000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],7.240081089,-5217.286777,9.27250786,0.99235488
11499,[Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au],nan,nan,nan,[0.490342911],[3000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.620040544,-5761.24643,9.655482815,0.992718509
11506,[Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au],nan,nan,nan,[0.658026965],[3000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.810020272,-4295.133595,4.736297925,0.991211476
11512,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.390772608],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.984523988,-7261.950366,14.54081072,0.994287202
11519,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.561950395],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],4.992261994,-8085.194335,17.16791517,0.989668073
11525,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.646972165],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],3.494583396,-5793.793553,10.81182131,0.998462936
11532,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.719549605],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.496130997,-6219.916247,12.12124844,0.993924401
11539,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.810468037],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.497678598,-5712.026054,10.95756704,0.991749793
11546,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.927685393],[17300.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.499226199,-4994.971004,8.782601172,0.993535464
11553,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.148449791],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],19.96904798,-1829.038962,1.808895792,0.99621012
11560,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.258522039],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],9.984523988,-2596.953388,4.110896105,0.996223239
11567,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.410834345],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.992261994,-3014.960623,4.995822214,0.995753365
11574,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.582399126],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.496130997,-3307.30497,5.644564158,0.996780242
11581,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.73609637],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.248065498,-5051.628562,9.726201241,0.994130989
11588,[Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.874579135],[17300.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.499226199,-5067.649649,9.210381537,0.994463521
11595,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.32479268],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],13.33333333,-5294.659904,9.829955727,0.997211959
11602,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.490329822],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],6.666666667,-6209.750958,12.78172515,0.993455887
11609,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.578834178],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],4.666666667,-4545.844742,8.736059307,0.995252865
11616,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.706325713],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.666666667,-4381.275848,8.184633067,0.996430977
11623,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.762292111],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],2,-3971.357777,6.816512423,0.996912146
11630,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.905842758],[90600.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.666666667,-5633.650641,10.54725068,0.993063297
11637,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.115619924],[90600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],26.66666667,-1756.739123,1.97291825,0.9954871
11644,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.207274756],[90600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],13.33333333,-2661.833015,4.315255654,0.97917781
11651,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.343376277],[90600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.666666667,-3445.532733,5.772963537,0.998679535
11658,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.511213847],[90600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.333333333,-3700.545306,5.616539965,0.98059752
11665,[Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au],nan,nan,nan,[0.676560565],[90600.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.666666667,-6781.601234,13.71433101,0.994672003
11672,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.220200513],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],12.33501912,-3040.337369,4.240484292,0.97295191
11681,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.360925128],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.16750956,-4423.592505,7.745355653,0.991662088
11689,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.530411439],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],3.08375478,-5891.879779,10.36466523,0.998134703
11695,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.73848069],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.233501912,-7418.099151,14.07867151,0.998380431
11700,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.849570195],[21000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.616750956,-8967.986651,18.20942932,0.996561916
11704,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.302370618],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],12.33501912,-2127.975901,3.283994326,0.996523463
11713,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.46433882],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],6.16750956,-1577.332566,1.134215328,0.962446414
11722,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.634195876],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],3.08375478,-2059.470612,1.456027071,0.983025365
11731,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.812532525],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.233501912,-6204.385934,12.81546406,0.980520154
11738,[Cu]OC(=O)OCC(OC)(OC)C[Au],nan,nan,nan,[0.896571525],[21000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],0.616750956,-9052.916594,18.28725459,0.98136098
11763,[Cu]NCC[Au],nan,nan,nan,[0.983605947],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.059438897,-2528.783645,2.687054737,0.999559376
11767,[Cu]NCC[Au],nan,nan,nan,[0.967740754],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.118877794,-2447.494273,2.437419448,0.994562489
11771,[Cu]NCC[Au],nan,nan,nan,[0.937497782],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.237755587,-2780.772185,3.856857017,0.997593993
11775,[Cu]NCC[Au],nan,nan,nan,[0.882349011],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],0.475511175,-3052.614915,4.827416003,0.9961867
11779,[Cu]NCC[Au],nan,nan,nan,[0.749992901],[10000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.188777936,-3134.118573,5.09097532,0.996860501
11783,[Cu][Si](C)(C)OCCO[Au],nan,nan,nan,[0.975062764],[2995.715395],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.241009734,-1387.964499,1.074463928,0.997885579
11795,[Cu][Si](C)(C)OCCO[Au],nan,nan,nan,[0.950122317],[2995.715395],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.494704192,-1493.387837,1.678037212,0.995868099
11807,[Cu][Si](C)(C)OCCO[Au],nan,nan,nan,[0.900231788],[2995.715395],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.044375516,-1578.672186,1.837936162,0.995155968
11819,[Cu][Si](C)(C)OCCO[Au],nan,nan,nan,[0.850328409],[2995.715395],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.658714054,-2402.355823,4.476438867,0.992901544
11831,[Cu][Si](C)(C)OCCO[Au],nan,nan,nan,[0.800412175],[2995.715395],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.34984491,-2542.093513,4.08162572,0.994666655
11847,[Cu]CC(C#N)[Au],nan,nan,nan,[0.3499013],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],11.90399883,-5824.482004,10.46187957,0.99505906
11873,[Cu]OCC[Au],nan,nan,nan,[0.824862367],[50000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.13507378,-7857.746497,19.99136348,0.869739414
11874,[Cu]OCC[Au],nan,nan,nan,[0.701928306],[50000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],2.27014756,-8403.943929,20.55327813,0.904804739
11876,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.796887429],[37000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],1.362707245,-6993.804202,14.87534689,0.997907061
11879,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.200274079],[37000.0],O=S(=O)(F)[N-]S(=O)(=O)F.[Li+],21.34908017,-3238.151021,6.360584829,0.975664682
11985,[Cu]OCC[Au],nan,nan,nan,[0.849512086],[3997492.027],O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-3474.17083,5.741451564,0.895442583
12006,[Cu]OCC[Au],O=C1OC(C)CO1,C1COC(=O)O1,nan,"[0.299795654, 0.347420972, 0.299675686]","[3997492.027, 102.0316941, 88.01604399]",O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-2877.382523,4.15609467,0.989120522
12027,[Cu]OCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.601709411, 0.2917]","[3997492.027, 426.3709101]",O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-2929.586238,4.218912012,0.966811357
12038,[Cu]OCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.409889581, 0.5175]","[3997492.027, 222.0892089]",O=S(=O)([O-])C(F)(F)F.[Li+],1.13507378,-3538.700203,6.434460632,0.972013399
12060,[Cu]OCC[Au],nan,nan,nan,[0.551044038],[3997492.027],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.837684449,-3121.726261,5.58500258,0.951760492
12067,[Cu]OCC[Au],nan,nan,nan,[0.738392881],[3997492.027],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.27014756,-3575.46717,6.782861223,0.960592121
12085,[Cu]OCC[Au],C1COC(=O)O1,nan,nan,"[0.429898361, 0.43]","[3997492.027, 88.01604399]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-3345.005559,6.795770818,0.982531679
12094,[Cu]OCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.386682263, 0.4873]","[3997492.027, 222.0892089]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-2220.00972,3.382787611,0.947434718
12109,[Cu]OCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.564755635, 0.3352]","[3997492.027, 222.0892089]",O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.13507378,-2409.437228,3.97088135,0.975917812
12167,[Cu]C(=O)CC(=O)OCCO[Au],nan,nan,nan,[0.925951994],[2258.658503],O=S(=O)([O-])C(F)(F)F.[Li+],0.512426339,-3487.643616,5.589163566,0.989142919
12182,[Cu]C(=O)CC(=O)OCCO[Au],nan,nan,nan,[0.869608327],[2258.658503],O=S(=O)([O-])C(F)(F)F.[Li+],0.960799385,-3371.579558,5.373088871,0.978302246
12196,[Cu]C(=O)CC(=O)OCCO[Au],nan,nan,nan,[0.769298243],[2258.658503],O=S(=O)([O-])C(F)(F)F.[Li+],1.92159877,-4102.032766,7.412572479,0.984917316
12210,[Cu]C(=O)CC(=O)OCCO[Au],nan,nan,nan,[0.625089091],[2258.658503],O=S(=O)([O-])C(F)(F)F.[Li+],3.84319754,-4497.397851,8.416460835,0.987348758
12224,[Cu]C(=O)CC(=O)OCCO[Au],nan,nan,nan,[0.454639705],[2258.658503],O=S(=O)([O-])C(F)(F)F.[Li+],7.686395081,-4938.153363,9.172116235,0.991962466
12236,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.985499976],[23400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.138763616,-4887.972695,6.594410558,0.992371462
12242,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.971414444],[23400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.277527232,-5569.622042,9.247223608,0.991430685
12249,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.957725881],[23400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.416290849,-5680.557078,9.670005167,0.993852718
12256,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.944417738],[23400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.555054465,-6695.11168,13.15364617,0.998562806
12263,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.918880996],[23400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.832581697,-7345.4825,15.33262703,0.999147605
12270,[Cu]CC(C#N)[Au],nan,nan,nan,[0.399964869],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.612004515,-7840.008254,14.95602991,0.993832303
12271,[Cu]CC(C#N)[Au],nan,nan,nan,[0.329931074],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],13.0123397,-5603.211262,9.878186691,0.995971647
12272,[Cu]CC(C#N)[Au],nan,nan,nan,[0.284751626],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],16.09347396,-3980.124049,6.018264703,1
12273,[Cu]CC(C#N)[Au],nan,nan,nan,[0.249737697],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],19.24811293,-2279.011654,1.533745591,0.993199385
12276,[Cu]CC(C#N)[Au],nan,nan,nan,[0.284977583],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],16.07563336,-3907.091309,5.809311035,0.999854103
12290,[Cu]CC(C#N)[Au],nan,nan,nan,[0.249918658],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],19.22953657,-2876.577527,3.211816851,0.982442017
12298,[Cu]CC(C#N)[Au],nan,nan,nan,[0.333236924],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],12.81969105,-5815.89829,10.4476403,0.994858166
12306,[Cu]CC(C#N)[Au],nan,nan,nan,[0.285625748],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],16.02461381,-4746.2893,8.145865929,0.987428926
12314,[Cu]CC(C#N)[Au],nan,nan,nan,[0.399895875],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.614768284,-7396.460578,13.72067223,0.990917903
12320,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.677629445],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],1.959055735,-5608.056146,11.46101779,0.996259348
12330,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.770812119],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],1.224409834,-5384.299928,10.74867702,0.998690568
12336,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.834575409],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.816240572,-5366.041433,10.71853303,0.996185985
12347,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.863127337],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.653018578,-5329.769742,10.29485493,0.999372897
12359,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.926536067],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.326509289,-5123.89153,9.777251356,0.996280121
12368,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.943871189],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.244881967,-3768.469247,5.390350354,0.990366166
12380,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.954587158],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.195905574,-3936.687593,5.697751346,0.980017295
12391,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.971125242],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.122440983,-4795.279069,7.680226627,0.996121745
12400,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.976766018],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.097952787,-4948.08069,7.968686133,0.999071353
12409,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.670352216],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],2.025026937,-5540.889266,11.28391556,1
12410,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.768520946],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],1.240336958,-5341.913609,10.56250386,0.997100083
12412,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.861594853],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.661504555,-5389.061489,10.48348107,1
12413,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.926108123],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.328563033,-5052.415165,9.378687095,1
12417,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.976743325],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.09805074,-5505.598552,9.370272659,0.999991548
12420,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.83393142],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.820050935,-5180.773688,10.16827388,1
12423,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.94384576],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.24499951,-3415.745928,4.225085982,0.977774537
12425,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.971111782],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.122499755,-4575.093054,6.847933259,1
12427,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.679133512],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],1.945597022,-4877.447743,9.321049909,1
12431,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.92655921],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.326398276,-4099.104662,6.753918516,1
12433,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.954543809],[299817.3973],F[Sb-](F)(F)(F)(F)F.[Li+],0.196101479,-4918.421442,8.342153192,1
12445,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.626630029],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],3.91811147,-3001.173927,1.578584296,0.993297212
12454,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.843028606],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],1.224409834,-5122.828991,7.941148058,0.988647629
12466,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.909664552],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.653018578,-4973.841774,6.095977284,0.995949111
12474,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.77046411],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],1.959055735,-3881.363247,5.376166464,0.974325751
12484,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.870352701],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.979527868,-4011.956704,3.07628305,0.998670642
12492,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.94376679],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.391811147,-3112.642175,0.176404252,0.987496646
12501,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.952695646],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.326509289,-6415.057343,10.69478862,0.982157734
12510,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.964097144],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.244881967,-2779.167724,-0.745022394,0.970452879
12519,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.971069981],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.195905574,-3336.696217,0.670562636,0.972377716
12526,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.981720428],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.122440983,-5745.169919,8.59131614,0.997856607
12533,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.985322683],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.097952787,-5066.282042,5.087522404,0.992252725
12543,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.636231191],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],3.7597512,-2242.067656,-0.577052816,1
12545,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.84180869],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],1.235713586,-5297.584256,8.467384779,1
12547,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.909176284],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.656900774,-3872.354211,2.990960301,1
12548,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.943530683],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.393554707,-2751.121171,-0.969686599,1
12549,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.95284484],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.325428543,-6556.89539,11.30033495,1
12550,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.964068069],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.245087668,-2612.320508,-1.25671661,0.997792998
12551,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.971162697],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.195259085,-3196.254583,0.265483824,1
12552,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.981743398],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.122284259,-6009.541306,9.440991374,0.999467558
12556,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.843649432],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],1.218669801,-6539.652596,12.61765109,1
12557,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.870727487],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.976275835,-4597.407497,5.048480792,1
12560,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.95251226],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.327838182,-8984.670458,18.68666763,1
12566,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.768087537],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],1.985463806,-4553.747212,7.51594404,1
12575,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.98533136],[299817.3973],F[P-](F)(F)(F)(F)F.[Li+],0.097894015,-3331.904653,-0.539235985,1
12587,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.988612391],[299817.3973],F[B-](F)(F)F.[Li+],0.122440983,-3939.758968,3.405004845,0.983596034
12592,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.984873938],[299817.3973],F[B-](F)(F)F.[Li+],0.163254645,-4292.707329,5.048702506,0.997003792
12601,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.977481217],[299817.3973],F[B-](F)(F)F.[Li+],0.244881967,-4497.379011,6.053136042,0.997212132
12610,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.955954289],[299817.3973],F[B-](F)(F)F.[Li+],0.489763934,-4571.358847,7.186702924,0.995870266
12622,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.915624938],[299817.3973],F[B-](F)(F)F.[Li+],0.979527868,-4029.816813,6.160219353,0.994028138
12631,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.844380298],[299817.3973],F[B-](F)(F)F.[Li+],1.959055735,-4810.522482,9.126467298,0.990311272
12641,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.812759933],[299817.3973],F[B-](F)(F)F.[Li+],2.448819669,-3253.624921,5.131818823,0.98747456
12652,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.76501291],[299817.3973],F[B-](F)(F)F.[Li+],3.265092892,-4378.28169,7.745088548,0.998768187
12701,[Cu]CC(C#N)[Au],nan,nan,nan,[0.289747832],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],15.70549064,-4748.480887,8.162751667,0.986732169
12709,[Cu]CC(C#N)[Au],nan,nan,nan,[0.40473276],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.423294384,-7442.373022,13.82425285,0.991727184
12715,[Cu]CC(C#N)[Au],nan,nan,nan,[0.80313048],[150000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.570549064,-7733.145183,11.13150924,0.970966164
12719,[Cu]CC(Cl)[Au],nan,nan,nan,[0.798725174],[50000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.602461381,-350.9169399,-9.89228726,0.756977231
12725,[Cu]CC(Cl)[Au],nan,nan,nan,[0.748506658],[50000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.136615174,-471.4607896,-7.893003176,0.974663185
12731,[Cu]CC(Cl)[Au],nan,nan,nan,[0.698328123],[50000.0],O=S(=O)([O-])C(F)(F)F.[Li+],2.747076653,-114.9735258,-10.51357005,0.984068887
12744,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.99],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.094943229,-3092.205429,3.969752169,0.942732596
12753,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.97],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.290702463,-3827.956489,7.004107206,0.923493112
12762,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.95],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.494704192,-4241.187993,8.617594457,0.921903018
12771,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.9],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.044375516,-3123.827685,5.741079157,0.988123318
12780,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.85],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.658714054,-3617.981784,7.154011852,0.989372294
12789,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.8],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.34984491,-4502.367157,9.531046586,0.982839224
12798,[Cu]C(=O)CCCCC(=O)OCCO[Au],nan,nan,nan,[0.7],[10000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],4.02830556,-5551.992677,12.14653929,0.990863596
12816,[Cu]C(=O)CCCCC(=O)OCCCCO[Au],nan,nan,nan,[0.97],[12000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.290702463,-4089.615832,7.769106489,0.893293541
12825,[Cu]C(=O)CCCCC(=O)OCCCCCCO[Au],nan,nan,nan,[0.97],[38000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.290702463,-4390.979436,8.351473072,0.927132871
12834,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.97],[65000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.290702463,-3101.591683,4.339379083,0.945323132
12852,[Cu]C(=O)CCCCC(=O)OCCCCO[Au],nan,nan,nan,[0.95],[12000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.494704192,-4678.456621,9.843455155,0.884635263
12861,[Cu]C(=O)CCCCC(=O)OCCCCCCO[Au],nan,nan,nan,[0.95],[38000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.494704192,-5159.76968,10.98763599,0.925663435
12870,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.95],[65000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.494704192,-4128.988202,7.885199541,0.904665971
12888,[Cu]C(=O)CCCCC(=O)OCCCCO[Au],nan,nan,nan,[0.9],[12000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.044375516,-4681.402062,10.18583268,0.907226096
12897,[Cu]C(=O)CCCCC(=O)OCCCCCCO[Au],nan,nan,nan,[0.9],[38000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.044375516,-5171.303397,11.36575389,0.932100403
12906,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.9],[65000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.044375516,-3868.131534,7.698291852,0.92918643
12924,[Cu]C(=O)CCCCC(=O)OCCCCO[Au],nan,nan,nan,[0.8],[12000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.34984491,-3551.199177,6.875008711,0.988957104
12933,[Cu]C(=O)CCCCC(=O)OCCCCCCO[Au],nan,nan,nan,[0.8],[38000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.34984491,-3145.705214,5.845459801,0.983142896
12942,[Cu]OC(=O)CCCCC[Au],nan,nan,nan,[0.8],[65000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.34984491,-3678.038914,7.022285863,0.990178507
12979,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.892540357],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.135589371,-4593.790681,9.945583716,0.992519911
12983,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.869189655],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.419486714,-4894.594574,10.54395698,0.999135211
12987,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.908817219],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.946324476,-5012.045991,10.68709682,0.998830614
12991,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.920811817],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.811135265,-4914.728106,10.14546088,0.999883858
12995,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.832873498],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.892648951,-5524.87161,11.73765393,0.99716798
12999,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.943219365],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.567794685,-5221.587055,9.903152631,0.996318169
13003,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.961415968],[152217.3474],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.37852979,-6153.622832,11.42435408,0.997364048
13007,[Cu]CC(O)[Au],nan,nan,nan,[0.5],[40474.60677],O=S(=O)([O-])C(F)(F)F.[Li+],6.409845523,-5193.336567,10.77018108,0.996774253
13016,[Cu]CC(O)[Au],nan,nan,nan,[0.666666667],[40474.60677],O=S(=O)([O-])C(F)(F)F.[Li+],3.204922761,-4158.320713,6.264063761,0.998358109
13022,[Cu]CC(O)[Au],nan,nan,nan,[0.5],[107732.4101],O=S(=O)([O-])C(F)(F)F.[Li+],6.409845523,-6067.41116,12.20166666,0.998242386
13028,[Cu]NCCC[Au],nan,nan,nan,[0.785318276],[3000.0],O=S(=O)([O-])C(F)(F)F.[Li+],1.751313485,-6058.028341,13.51824575,0.992652252
13034,[Cu]NCCC[Au],nan,nan,nan,[0.646521851],[3000.0],O=S(=O)([O-])C(F)(F)F.[Li+],3.50262697,-6310.400724,14.08095558,0.996935006
13040,[Cu]NCCC[Au],nan,nan,nan,[0.879751568],[3000.0],O=S(=O)([O-])C(F)(F)F.[Li+],0.875656743,-4040.564904,5.068705738,0.923399682
13046,[Cu]NCC[Au],nan,nan,nan,[0.73400259],[2281.033364],O=S(=O)([O-])C(F)(F)F.[Li+],2.321801718,-5822.871845,12.28350066,0.95313966
13052,[Cu]NCC[Au],nan,nan,nan,[0.579782063],[2281.033364],O=S(=O)([O-])C(F)(F)F.[Li+],4.643603436,-3702.735431,5.25381225,0.898830397
13057,[Cu]NCC[Au],nan,nan,nan,[0.846599185],[2281.033364],O=S(=O)([O-])C(F)(F)F.[Li+],1.160900859,-9246.304808,22.26404239,0.9611818
13063,[Cu]OC(=O)CC[Au],nan,nan,nan,[0.985499596],[19000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.138773245,-5816.918848,10.02761964,0.99802331
13068,[Cu]OC(=O)CC[Au],nan,nan,nan,[0.957724803],[19000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.416319734,-7621.8777,16.82990139,0.999685975
13072,[Cu]OC(=O)CC[Au],nan,nan,nan,[0.944416341],[19000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.555092978,-6014.739489,12.3910747,0.833895633
13078,[Cu]OC(=O)CC[Au],nan,nan,nan,[0.871735009],[19000.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.387732445,-5601.901873,12.20271674,0.753569937
13099,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.277152441],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],9.084714967,-2181.917171,3.981215375,0.965966416
13104,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.338284466],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],6.813536225,-2966.086574,5.957872716,0.963948117
13109,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.434016226],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],4.542357484,-2226.830304,3.143325584,0.948124531
13114,[Cu]OC(=O)OCC[Au],nan,nan,nan,[0.605315642],[50000.0],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],2.271178742,-2153.907948,2.831384653,0.968731861
13119,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.867401934],[299817.3973],O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-5033.612553,8.072438818,0.993589926
13130,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.824031837, 0.05]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4089.161662,6.628450188,0.996830256
13143,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.780661741, 0.1]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-3767.473212,6.576450965,0.996132132
13156,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.737291644, 0.15]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-3593.440982,5.713769181,0.99562831
13179,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.824031837, 0.05]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4216.506568,5.812999157,0.998998043
13186,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.780661741, 0.1]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-3987.421127,5.637247044,0.995785228
13195,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.737291644, 0.15]","[299817.3973, 102.0316941]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4104.240077,6.250295875,0.996063427
13218,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.824031837, 0.05]","[299817.3973, 222.0892089]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4137.602262,6.658011624,0.996638758
13228,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.780661741, 0.1]","[299817.3973, 222.0892089]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-3731.580756,4.815566087,0.998078264
13240,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.737291644, 0.15]","[299817.3973, 222.0892089]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-3697.862074,4.439000033,0.989095624
13262,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.824031837, 0.05]","[299817.3973, 426.3709101]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4962.161445,7.921415105,0.996262506
13272,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.780661741, 0.1]","[299817.3973, 426.3709101]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4425.78497,6.539533999,0.998557689
13280,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.737291644, 0.15]","[299817.3973, 426.3709101]",O=S(=O)([O-])C(F)(F)F.[Li+],0.979527868,-4382.988291,6.652772359,0.995360875
13288,[Cu]OC(=O)OCCC[Au],nan,nan,nan,[0.905913285],[299817.3973],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-5736.91627,11.1906773,0.994773659
13298,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.860617621, 0.05]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-5014.023557,9.398603617,0.992934303
13310,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.815321957, 0.1]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4476.186522,8.137740217,0.999366871
13316,[Cu]OC(=O)OCCC[Au],O=C1OCCCO1,nan,nan,"[0.770026292, 0.15]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-3875.869599,5.474969976,0.987051443
13337,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.860617621, 0.05]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-3459.652457,5.89899373,0.997849116
13348,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.815321957, 0.1]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4301.415064,7.746953526,0.995379225
13361,[Cu]OC(=O)OCCC[Au],O=C1OC(C)CO1,nan,nan,"[0.770026292, 0.15]","[299817.3973, 102.0316941]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4739.767135,8.755096906,0.987585946
13383,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.860617621, 0.05]","[299817.3973, 222.0892089]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4206.31204,7.143265732,0.997696511
13395,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.815321957, 0.1]","[299817.3973, 222.0892089]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4320.025846,7.770738434,0.993857613
13401,[Cu]OC(=O)OCCC[Au],CCOC(=O)C1=CC=CC=C1C(=O)OCC,nan,nan,"[0.770026292, 0.15]","[299817.3973, 222.0892089]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4557.897696,7.922394976,0.997864093
13421,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.860617621, 0.05]","[299817.3973, 426.3709101]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4448.775957,8.541745552,0.989898343
13428,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.815321957, 0.1]","[299817.3973, 426.3709101]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-4595.36172,7.331663945,0.996631826
13438,[Cu]OC(=O)OCCC[Au],CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,nan,nan,"[0.770026292, 0.15]","[299817.3973, 426.3709101]",[Li+].[O-][Cl+3]([O-])([O-])[O-],0.979527868,-5550.359505,10.02555568,0.996098939
13443,[Cu]CC(OCC)[Au],nan,nan,nan,[0.998531527],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.013867702,-6495.421568,10.1791098,0.991185358
13455,[Cu]CC(OCC)[Au],nan,nan,nan,[0.996336885],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.034669255,-5885.059898,8.525623823,0.976855764
13477,[Cu]CC(OCC)[Au],nan,nan,nan,[0.99270051],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.069338511,-5864.592839,8.969122441,0.98223024
13496,[Cu]CC(OCC)[Au],nan,nan,nan,[0.985506812],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.138677021,-6232.963316,10.59102147,0.974377365
13517,[Cu]CC(OCC)[Au],nan,nan,nan,[0.978416624],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.208015532,-6586.598741,12.10895472,0.971989151
13537,[Cu]CC(OCC)[Au],nan,nan,nan,[0.971427728],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.277354042,-6942.061869,13.41080938,0.970519027
13557,[Cu]CC(OCC)[Au],nan,nan,nan,[0.93150491],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.693385106,-6915.145425,13.21794698,0.974584402
13578,[Cu]CC(OCC)[Au],nan,nan,nan,[0.871791475],[8400.0],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.386770212,-7786.180659,15.23796762,0.972193098
13629,[Cu]NCC[Au],nan,nan,nan,[0.52466378],[122659.3413],O=S(=O)([O-])C(F)(F)F.[Li+],5.804504295,-6578.441973,11.04257537,0.992840882
13638,[Cu]NCC[Au],nan,nan,nan,[0.73400259],[122659.3413],O=S(=O)([O-])C(F)(F)F.[Li+],2.321801718,-4356.53244,7.040659049,0.996010168
13653,[Cu]NCC[Au],nan,nan,nan,[0.805415393],[122659.3413],O=S(=O)([O-])C(F)(F)F.[Li+],1.547867812,-3502.303183,4.987053766,0.99180157
13662,[Cu]NCC[Au],nan,nan,nan,[0.618994368],[122659.3413],[Li+].[O-][Cl+3]([O-])([O-])[O-],5.804504295,-7455.879838,12.2950186,0.995529807
13674,[Cu]NCC[Au],nan,nan,nan,[0.802433341],[122659.3413],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.321801718,-4603.218016,7.375809548,0.990300259
13690,[Cu]NCC[Au],nan,nan,nan,[0.859003491],[122659.3413],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.547867812,-3811.900313,5.845250863,0.992085955
13698,[Cu]N(C)CC[Au],nan,nan,nan,[0.599968627],[122095.593],O=S(=O)([O-])C(F)(F)F.[Li+],4.271496305,-5733.479724,8.536732785,0.997207435
13707,[Cu]N(C)CC[Au],nan,nan,nan,[0.683369399],[122095.593],O=S(=O)([O-])C(F)(F)F.[Li+],2.968327941,-4460.407141,6.367292367,0.997603854
13723,[Cu]N(C)CC[Au],nan,nan,nan,[0.785318276],[122095.593],O=S(=O)([O-])C(F)(F)F.[Li+],1.751313485,-3221.253973,3.686856349,0.996757121
13737,[Cu]N(C)CC[Au],nan,nan,nan,[0.854076236],[122095.593],O=S(=O)([O-])C(F)(F)F.[Li+],1.094570928,-2696.825853,2.069156265,0.996298194
13751,[Cu]N(C)CC[Au],nan,nan,nan,[0.688235107],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],4.271496305,-7394.860036,12.18302038,0.999031286
13759,[Cu]N(C)CC[Au],nan,nan,nan,[0.769491731],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.82469917,-6039.875653,9.790656967,0.995262219
13771,[Cu]N(C)CC[Au],nan,nan,nan,[0.843364694],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.751313485,-4733.453627,6.689969205,0.993095462
13785,[Cu]N(C)CC[Au],nan,nan,nan,[0.889823978],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],1.167542323,-3470.402162,3.894303589,0.993679752
13810,[Cu]NCC[Au],nan,nan,nan,[0.709044329],[122659.3413],[Li+].[O-][Cl+3]([O-])([O-])[O-],3.86966953,-7117.104237,12.76170614,0.992692657
13830,[Cu]N(C)CC[Au],nan,nan,nan,[0.682912405],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],4.378283713,-7615.89091,12.80372436,0.997129896
13838,[Cu]N(C)CC[Au],nan,nan,nan,[0.76362434],[122095.593],[Li+].[O-][Cl+3]([O-])([O-])[O-],2.918855809,-6065.810207,9.92374341,0.992925651
13874,[Cu]NCC[Au],nan,nan,nan,[0.619492155],[122659.3413],O=S(=O)([O-])C(F)(F)F.[Li+],3.935257149,-5990.513623,10.50776044,0.99850104
14008,[Cu]OCC[Au],nan,nan,nan,[0.9427],[899435.7063],[Li+].[O-][Cl+3]([O-])([O-])[O-],0.571321156,-941.7599541,0.511467617,1
14037,[Cu]CC(Cl)[Au],nan,nan,nan,[0.8643],[480000.0],O=C1O[B-](F)(F)OC1=O.[Li+],1.092061413,-3086.014184,5.725212911,0.990078141
14045,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.605057673],[1698.919881],F[B-](F)(F)F.[Li+],6.938180809,-8535.887719,18.37660262,0.97337959
14046,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.753938856],[1698.919881],F[B-](F)(F)F.[Li+],3.469090404,-8958.298343,20.531665,0.982290127
14063,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.821302392],[1698.919881],F[B-](F)(F)F.[Li+],2.312726936,-7056.776153,15.20094945,0.99880048
14070,[Cu]OCCOC(=O)CCC(=O)[Au],nan,nan,nan,[0.901884712],[1698.919881],F[B-](F)(F)F.[Li+],1.156363468,-7740.553555,15.47543191,0.999653521
14167,[Cu]OCC[Au],nan,nan,nan,[0.697094179],[9993.73007],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+],1.513431706,-1424.908958,1.114036005,1
14169,[Cu]OCC[Au],nan,nan,nan,[0.631739508],[9993.73007],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F.[Li+],1.513431706,-6823.785434,16.51828973,0.878942062
14173,[Cu]OCC[Au],nan,nan,nan,[0.594710194],[9993.73007],O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1c(F)c(F)c(N2CCCCC2)c(F)c1F.[Li+],1.513431706,-7231.677838,17.46933869,0.884395824
14177,[Cu]OCC[Au],nan,nan,nan,[0.52847422],[9993.73007],CC(C)(C)COc1c(F)c(OCC(C)(C)C)c(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)c(OCC(C)(C)C)c1F.[Li+],1.513431706,-6836.022207,15.94287428,0.866409808
14181,[Cu]OCC[Au],nan,nan,nan,[0.529745964],[9993.73007],CC(C)(C)COc1c(F)c(N2CCCCC2)c(F)c(OCC(C)(C)C)c1S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Li+],1.513431706,-2243.198005,2.36080781,0.998412752
14184,[Cu]CC(O)[Au],nan,nan,nan,[0.6687],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],3.175686888,-7988.429624,16.25630044,1
14185,[Cu]CC(O)[Au],nan,nan,nan,[0.6],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],4.273230348,-6977.703718,13.65507017,1
14188,[Cu]CC(O)[Au],nan,nan,nan,[0.4],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.614768284,-2891.052541,2.61957255,1
14193,[Cu]CC(O)[Au],nan,nan,nan,[0.4002],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],9.606759981,-2773.832586,2.273839377,1
14196,[Cu]CC(O)[Au],nan,nan,nan,[0.5001],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],6.407282097,-7660.651722,15.87520202,1
14201,[Cu]CC(O)[Au],nan,nan,nan,[0.5],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],6.409845523,-7290.563624,14.7059287,0.997461906
14202,[Cu]CC(O)[Au],nan,nan,nan,[0.4492],[125000.0],O=S(=O)([O-])C(F)(F)F.[Li+],7.859623584,-5059.720933,9.067199265,1