Unnamed: 0 int64 798 14.2k | Solvent 1 stringclasses 160 values | Solvent 2 stringclasses 27 values | Solvent 3 stringclasses 11 values | Solvent 4 stringclasses 2 values | Weights stringlengths 5 52 | M stringlengths 7 52 | Salt stringclasses 38 values | Molality float64 0 53 | Slope float64 -10,216.36 -114.97 | Intercept float64 -10.51 26.6 | Goodness float64 0.66 1 |
|---|---|---|---|---|---|---|---|---|---|---|---|
11,269 | [Cu]OC(=O)OCCCCC[Au] | null | null | null | [0.8] | [27700.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.870807 | -3,344.641469 | 5.506537 | 0.997621 |
11,277 | [Cu]OC(=O)OCCCCC[Au] | null | null | null | [0.6] | [27700.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.322152 | -3,778.812341 | 6.034193 | 0.984808 |
11,285 | [Cu]OC(=O)OCCCCC[Au] | null | null | null | [0.4] | [27700.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.224842 | -4,403.455226 | 7.767097 | 0.992062 |
11,293 | [Cu]OC(=O)OCCCCC[Au] | null | null | null | [0.2] | [27700.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 13.932913 | -4,111.176094 | 6.334471 | 0.996602 |
11,301 | [Cu]OC(=O)OCCCC[Au] | null | null | null | [0.7] | [43300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -3,573.091818 | 5.782484 | 0.964733 |
11,309 | [Cu]OC(=O)OCCCCC[Au] | null | null | null | [0.7] | [27700.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -3,541.293835 | 5.678686 | 0.992729 |
11,317 | [Cu]OC(=O)OCCCCCC[Au] | null | null | null | [0.7] | [25100.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -2,178.882476 | 2.054662 | 0.960516 |
11,325 | [Cu]OC(=O)OCCCCCCC[Au] | null | null | null | [0.7] | [14800.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -2,368.03339 | 2.867393 | 0.990159 |
11,333 | [Cu]OC(=O)OCCCCCCCC[Au] | null | null | null | [0.7] | [15300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -3,184.055693 | 4.715279 | 0.978223 |
11,341 | [Cu]OC(=O)OCCCCCCCCC[Au] | null | null | null | [0.7] | [16100.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -2,267.820979 | 2.295266 | 0.960747 |
11,349 | [Cu]OC(=O)OCCCCCCCCCC[Au] | null | null | null | [0.7] | [8000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -2,741.306114 | 3.796371 | 0.961697 |
11,357 | [Cu]OC(=O)OCCCCCCCCCCCC[Au] | null | null | null | [0.7] | [8100.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.492812 | -2,874.606299 | 4.48326 | 0.986371 |
11,365 | [Cu]OC(=O)OCCC[Au] | null | null | null | [0.816337012] | [6945.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.783622 | -5,076.304816 | 9.951148 | 0.990728 |
11,376 | [Cu]OC(=O)OCC(CC)(COCCCCCCC)C[Au] | null | null | null | [0.918349724] | [19991.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.309645 | -3,269.420785 | 3.554771 | 0.989015 |
11,386 | [Cu]OC(=O)OCC(CC)(CCCC)C[Au] | null | null | null | [0.890209219] | [14384.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.42953 | -3,840.007499 | 5.079377 | 0.993324 |
11,395 | [Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au] | null | null | null | [0.163337446] | [47000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 17.841213 | -2,986.347634 | 3.241233 | 0.98193 |
11,404 | [Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au] | null | null | null | [0.226507584] | [47000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 11.894142 | -4,356.048949 | 7.368956 | 0.992995 |
11,413 | [Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au] | null | null | null | [0.369353744] | [47000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.947071 | -4,488.826289 | 8.847069 | 0.982177 |
11,422 | [Cu]C1N(C(=O)C)C(=O)N(C(=O)C)C1[Au] | null | null | null | [0.637290425] | [47000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.982355 | -4,123.982874 | 4.975622 | 0.996056 |
11,429 | [Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au] | null | null | null | [0.075703294] | [2000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 42.521527 | -4,410.813912 | 6.789472 | 0.991947 |
11,438 | [Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au] | null | null | null | [0.140751254] | [2000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 21.260763 | -4,442.371378 | 6.505216 | 0.988829 |
11,447 | [Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au] | null | null | null | [0.246769405] | [2000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 10.630382 | -4,664.134803 | 7.678948 | 0.987333 |
11,456 | [Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au] | null | null | null | [0.395854123] | [2000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.315191 | -5,385.462566 | 9.254474 | 0.99306 |
11,464 | [Cu]OC(C1=O)=C(C1=O)OC1=CC=C(C=C1)[Au] | null | null | null | [0.56718552] | [2000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.657595 | -5,019.977537 | 7.942834 | 0.983719 |
11,472 | [Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au] | null | null | null | [0.107352428] | [3000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 28.960324 | -5,042.502404 | 9.62297 | 0.992807 |
11,481 | [Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au] | null | null | null | [0.193890266] | [3000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 14.480162 | -5,264.164893 | 10.000874 | 0.985688 |
11,490 | [Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au] | null | null | null | [0.324804166] | [3000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 7.240081 | -5,217.286777 | 9.272508 | 0.992355 |
11,499 | [Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au] | null | null | null | [0.490342911] | [3000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 3.620041 | -5,761.24643 | 9.655483 | 0.992719 |
11,506 | [Cu]OC(C1=O)=C(C1=O)OC1=C(OCC)C=C(C(OCC)=C1)[Au] | null | null | null | [0.658026965] | [3000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.81002 | -4,295.133595 | 4.736298 | 0.991211 |
11,512 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.390772608] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 9.984524 | -7,261.950366 | 14.540811 | 0.994287 |
11,519 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.561950395] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 4.992262 | -8,085.194335 | 17.167915 | 0.989668 |
11,525 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.646972165] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 3.494583 | -5,793.793553 | 10.811821 | 0.998463 |
11,532 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.719549605] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 2.496131 | -6,219.916247 | 12.121248 | 0.993924 |
11,539 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.810468037] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.497679 | -5,712.026054 | 10.957567 | 0.99175 |
11,546 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.927685393] | [17300.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 0.499226 | -4,994.971004 | 8.782601 | 0.993535 |
11,553 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.148449791] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 19.969048 | -1,829.038962 | 1.808896 | 0.99621 |
11,560 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.258522039] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 9.984524 | -2,596.953388 | 4.110896 | 0.996223 |
11,567 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.410834345] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 4.992262 | -3,014.960623 | 4.995822 | 0.995753 |
11,574 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.582399126] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.496131 | -3,307.30497 | 5.644564 | 0.99678 |
11,581 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.73609637] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.248065 | -5,051.628562 | 9.726201 | 0.994131 |
11,588 | [Cu][Si](C)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.874579135] | [17300.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.499226 | -5,067.649649 | 9.210382 | 0.994464 |
11,595 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.32479268] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 13.333333 | -5,294.659904 | 9.829956 | 0.997212 |
11,602 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.490329822] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 6.666667 | -6,209.750958 | 12.781725 | 0.993456 |
11,609 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.578834178] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 4.666667 | -4,545.844742 | 8.736059 | 0.995253 |
11,616 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.706325713] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 2.666667 | -4,381.275848 | 8.184633 | 0.996431 |
11,623 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.762292111] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 2 | -3,971.357777 | 6.816512 | 0.996912 |
11,630 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.905842758] | [90600.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 0.666667 | -5,633.650641 | 10.547251 | 0.993063 |
11,637 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.115619924] | [90600.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 26.666667 | -1,756.739123 | 1.972918 | 0.995487 |
11,644 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.207274756] | [90600.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 13.333333 | -2,661.833015 | 4.315256 | 0.979178 |
11,651 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.343376277] | [90600.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 6.666667 | -3,445.532733 | 5.772964 | 0.99868 |
11,658 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.511213847] | [90600.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 3.333333 | -3,700.545306 | 5.61654 | 0.980598 |
11,665 | [Cu][Si](CCC1OC(=O)OC1)(CCC1OC(=O)OC1)CCC[Au] | null | null | null | [0.676560565] | [90600.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.666667 | -6,781.601234 | 13.714331 | 0.994672 |
11,672 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.220200513] | [21000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 12.335019 | -3,040.337369 | 4.240484 | 0.972952 |
11,681 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.360925128] | [21000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 6.16751 | -4,423.592505 | 7.745356 | 0.991662 |
11,689 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.530411439] | [21000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 3.083755 | -5,891.879779 | 10.364665 | 0.998135 |
11,695 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.73848069] | [21000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.233502 | -7,418.099151 | 14.078672 | 0.99838 |
11,700 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.849570195] | [21000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.616751 | -8,967.986651 | 18.209429 | 0.996562 |
11,704 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.302370618] | [21000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 12.335019 | -2,127.975901 | 3.283994 | 0.996523 |
11,713 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.46433882] | [21000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 6.16751 | -1,577.332566 | 1.134215 | 0.962446 |
11,722 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.634195876] | [21000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 3.083755 | -2,059.470612 | 1.456027 | 0.983025 |
11,731 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.812532525] | [21000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 1.233502 | -6,204.385934 | 12.815464 | 0.98052 |
11,738 | [Cu]OC(=O)OCC(OC)(OC)C[Au] | null | null | null | [0.896571525] | [21000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 0.616751 | -9,052.916594 | 18.287255 | 0.981361 |
11,763 | [Cu]NCC[Au] | null | null | null | [0.983605947] | [10000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.059439 | -2,528.783645 | 2.687055 | 0.999559 |
11,767 | [Cu]NCC[Au] | null | null | null | [0.967740754] | [10000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.118878 | -2,447.494273 | 2.437419 | 0.994562 |
11,771 | [Cu]NCC[Au] | null | null | null | [0.937497782] | [10000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.237756 | -2,780.772185 | 3.856857 | 0.997594 |
11,775 | [Cu]NCC[Au] | null | null | null | [0.882349011] | [10000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.475511 | -3,052.614915 | 4.827416 | 0.996187 |
11,779 | [Cu]NCC[Au] | null | null | null | [0.749992901] | [10000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.188778 | -3,134.118573 | 5.090975 | 0.996861 |
11,783 | [Cu][Si](C)(C)OCCO[Au] | null | null | null | [0.975062764] | [2995.715395] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.24101 | -1,387.964499 | 1.074464 | 0.997886 |
11,795 | [Cu][Si](C)(C)OCCO[Au] | null | null | null | [0.950122317] | [2995.715395] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.494704 | -1,493.387837 | 1.678037 | 0.995868 |
11,807 | [Cu][Si](C)(C)OCCO[Au] | null | null | null | [0.900231788] | [2995.715395] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 1.044376 | -1,578.672186 | 1.837936 | 0.995156 |
11,819 | [Cu][Si](C)(C)OCCO[Au] | null | null | null | [0.850328409] | [2995.715395] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 1.658714 | -2,402.355823 | 4.476439 | 0.992902 |
11,831 | [Cu][Si](C)(C)OCCO[Au] | null | null | null | [0.800412175] | [2995.715395] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 2.349845 | -2,542.093513 | 4.081626 | 0.994667 |
11,847 | [Cu]CC(C#N)[Au] | null | null | null | [0.3499013] | [150000.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 11.903999 | -5,824.482004 | 10.46188 | 0.995059 |
11,873 | [Cu]OCC[Au] | null | null | null | [0.824862367] | [50000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 1.135074 | -7,857.746497 | 19.991363 | 0.869739 |
11,874 | [Cu]OCC[Au] | null | null | null | [0.701928306] | [50000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 2.270148 | -8,403.943929 | 20.553278 | 0.904805 |
11,876 | [Cu]OC(=O)OCC[Au] | null | null | null | [0.796887429] | [37000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 1.362707 | -6,993.804202 | 14.875347 | 0.997907 |
11,879 | [Cu]OC(=O)OCC[Au] | null | null | null | [0.200274079] | [37000.0] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 21.34908 | -3,238.151021 | 6.360585 | 0.975665 |
11,985 | [Cu]OCC[Au] | null | null | null | [0.849512086] | [3997492.027] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.135074 | -3,474.17083 | 5.741452 | 0.895443 |
12,006 | [Cu]OCC[Au] | O=C1OC(C)CO1 | C1COC(=O)O1 | null | [0.299795654, 0.347420972, 0.299675686] | [3997492.027, 102.0316941, 88.01604399] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.135074 | -2,877.382523 | 4.156095 | 0.989121 |
12,027 | [Cu]OCC[Au] | CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC | null | null | [0.601709411, 0.2917] | [3997492.027, 426.3709101] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.135074 | -2,929.586238 | 4.218912 | 0.966811 |
12,038 | [Cu]OCC[Au] | CCOC(=O)C1=CC=CC=C1C(=O)OCC | null | null | [0.409889581, 0.5175] | [3997492.027, 222.0892089] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.135074 | -3,538.700203 | 6.434461 | 0.972013 |
12,060 | [Cu]OCC[Au] | null | null | null | [0.551044038] | [3997492.027] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.837684 | -3,121.726261 | 5.585003 | 0.95176 |
12,067 | [Cu]OCC[Au] | null | null | null | [0.738392881] | [3997492.027] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.270148 | -3,575.46717 | 6.782861 | 0.960592 |
12,085 | [Cu]OCC[Au] | C1COC(=O)O1 | null | null | [0.429898361, 0.43] | [3997492.027, 88.01604399] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.135074 | -3,345.005559 | 6.795771 | 0.982532 |
12,094 | [Cu]OCC[Au] | CCOC(=O)C1=CC=CC=C1C(=O)OCC | null | null | [0.386682263, 0.4873] | [3997492.027, 222.0892089] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.135074 | -2,220.00972 | 3.382788 | 0.947435 |
12,109 | [Cu]OCC[Au] | CCOC(=O)C1=CC=CC=C1C(=O)OCC | null | null | [0.564755635, 0.3352] | [3997492.027, 222.0892089] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.135074 | -2,409.437228 | 3.970881 | 0.975918 |
12,167 | [Cu]C(=O)CC(=O)OCCO[Au] | null | null | null | [0.925951994] | [2258.658503] | O=S(=O)([O-])C(F)(F)F.[Li+] | 0.512426 | -3,487.643616 | 5.589164 | 0.989143 |
12,182 | [Cu]C(=O)CC(=O)OCCO[Au] | null | null | null | [0.869608327] | [2258.658503] | O=S(=O)([O-])C(F)(F)F.[Li+] | 0.960799 | -3,371.579558 | 5.373089 | 0.978302 |
12,196 | [Cu]C(=O)CC(=O)OCCO[Au] | null | null | null | [0.769298243] | [2258.658503] | O=S(=O)([O-])C(F)(F)F.[Li+] | 1.921599 | -4,102.032766 | 7.412572 | 0.984917 |
12,210 | [Cu]C(=O)CC(=O)OCCO[Au] | null | null | null | [0.625089091] | [2258.658503] | O=S(=O)([O-])C(F)(F)F.[Li+] | 3.843198 | -4,497.397851 | 8.416461 | 0.987349 |
12,224 | [Cu]C(=O)CC(=O)OCCO[Au] | null | null | null | [0.454639705] | [2258.658503] | O=S(=O)([O-])C(F)(F)F.[Li+] | 7.686395 | -4,938.153363 | 9.172116 | 0.991962 |
12,236 | [Cu]OCCOC(=O)CCC(=O)[Au] | null | null | null | [0.985499976] | [23400.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.138764 | -4,887.972695 | 6.594411 | 0.992371 |
12,242 | [Cu]OCCOC(=O)CCC(=O)[Au] | null | null | null | [0.971414444] | [23400.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.277527 | -5,569.622042 | 9.247224 | 0.991431 |
12,249 | [Cu]OCCOC(=O)CCC(=O)[Au] | null | null | null | [0.957725881] | [23400.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.416291 | -5,680.557078 | 9.670005 | 0.993853 |
12,256 | [Cu]OCCOC(=O)CCC(=O)[Au] | null | null | null | [0.944417738] | [23400.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.555054 | -6,695.11168 | 13.153646 | 0.998563 |
12,263 | [Cu]OCCOC(=O)CCC(=O)[Au] | null | null | null | [0.918880996] | [23400.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.832582 | -7,345.4825 | 15.332627 | 0.999148 |
12,270 | [Cu]CC(C#N)[Au] | null | null | null | [0.399964869] | [150000.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 9.612005 | -7,840.008254 | 14.95603 | 0.993832 |
12,271 | [Cu]CC(C#N)[Au] | null | null | null | [0.329931074] | [150000.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 13.01234 | -5,603.211262 | 9.878187 | 0.995972 |
12,272 | [Cu]CC(C#N)[Au] | null | null | null | [0.284751626] | [150000.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 16.093474 | -3,980.124049 | 6.018265 | 1 |
12,273 | [Cu]CC(C#N)[Au] | null | null | null | [0.249737697] | [150000.0] | O=S(=O)([O-])C(F)(F)F.[Li+] | 19.248113 | -2,279.011654 | 1.533746 | 0.993199 |
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