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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
3,341 | O=C1OCCO1 | COCCOC | null | null | [0.564922428, 0.189523772] | [88.01604399, 90.12] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.134325 | -683.956069 | 0.381115 | 0.985395 |
3,347 | CC1COC(=O)O1 | COCCOC | null | null | [0.325083738, 0.2939997] | [102.0316941, 90.12] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.14437 | -705.692071 | 0.420119 | 0.990089 |
3,354 | O=C1OCCO1 | CC1COC(=O)O1 | null | null | [0.553824889, 0.205445059] | [88.01604399, 102.0316941] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.104977 | -1,111.524057 | 1.411675 | 0.965887 |
3,363 | O=S1(CCCC1)=O | COCCOCCOCCOC | null | null | [0.470769958, 0.368300581] | [120.0245005, 178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.66843 | -1,210.027886 | 1.452114 | 0.982636 |
3,371 | CC1CCCO1 | O=C1OCCO1 | CC1COC(=O)O1 | null | [0.66661403, 0.171789596, 0.063726503] | [86.07316494, 88.01604399, 102.0316941] | F[B-](F)(F)F.[Li+] | 1.15389 | -933.717416 | 0.341445 | 0.982308 |
3,378 | O=C1OCCO1 | CC1COC(=O)O1 | null | null | [0.660770979, 0.245117428] | [88.01604399, 102.0316941] | F[B-](F)(F)F.[Li+] | 1.104977 | -1,432.242741 | 2.405713 | 0.919189 |
3,389 | O=S1(CCCC1)=O | COCCOCCOCCOC | null | null | [0.517682806, 0.40500222] | [120.0245005, 178.1205091] | F[B-](F)(F)F.[Li+] | 0.89124 | -1,950.048425 | 4.218281 | 0.964371 |
3,470 | 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+] | 1.269803 | -819.621854 | 0.644572 | 0.911983 |
3,477 | 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+] | 1.240844 | -884.625251 | 1.047456 | 0.963444 |
3,486 | 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+] | 1.19716 | -912.610844 | 1.202633 | 0.968474 |
3,495 | 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+] | 0.844088 | -636.80463 | 0.176117 | 0.990728 |
3,502 | 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+] | 1.128981 | -498.254747 | -0.140945 | 0.973013 |
3,513 | 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+] | 1.131292 | -576.317077 | 0.102382 | 0.9775 |
3,524 | 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+] | 1.133613 | -677.591174 | 0.397566 | 0.97628 |
3,535 | 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+] | 1.142221 | -1,093.659565 | 1.740328 | 0.945986 |
3,649 | O=C1OCCO1 | COCCOCCOCCOC | null | null | [0.489531542, 0.365230161] | [88.01604399, 178.1205091] | F[As-](F)(F)(F)(F)F.[Li+] | 0.867586 | -1,042.491805 | 1.309966 | 0.985226 |
3,752 | O=S1(CCCC1)=O | C1=CC=CC=C1 | null | null | [0.58040723, 0.269119367] | [120.0245005, 78.04695019] | F[As-](F)(F)(F)(F)F.[Li+] | 0.904397 | -716.823282 | 0.189493 | 0.998955 |
3,760 | O=S1(CCCC1)=O | COCCOCCOC | null | null | [0.569848519, 0.282415475] | [120.0245005, 134.0942943] | F[As-](F)(F)(F)(F)F.[Li+] | 0.885092 | -975.841589 | 1.031984 | 0.998226 |
3,771 | O=S1(CCCC1)=O | COCCOC | null | null | [0.669332914, 0.157139266] | [120.0245005, 90.12] | F[As-](F)(F)(F)(F)F.[Li+] | 1.072056 | -993.615025 | 1.099719 | 0.988121 |
3,795 | O=S1(CCCC1)=O | COCCOCCOCCOC | COCCOC | null | [0.516711485, 0.282969624, 0.039566925] | [120.0245005, 178.1205091, 90.12] | F[As-](F)(F)(F)(F)F.[Li+] | 0.978008 | -1,314.890656 | 1.957313 | 0.972937 |
3,804 | O=S1(CCCC1)=O | COCCOCCOCCOC | COCCOC | null | [0.546478447, 0.213765053, 0.069743859] | [120.0245005, 178.1205091, 90.12] | F[As-](F)(F)(F)(F)F.[Li+] | 1.04589 | -1,191.065811 | 1.648004 | 0.975799 |
3,905 | [Cu]OCC[Au] | null | null | null | [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+] | 0.720296 | -7,105.633097 | 17.379917 | 0.994193 |
3,911 | [Cu]OCC[Au] | null | null | null | [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+] | 0.563907 | -5,881.591706 | 13.773987 | 0.988666 |
3,917 | [Cu]OCC[Au] | null | null | null | [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+] | 0.468294 | -6,172.23373 | 14.700256 | 0.993041 |
3,923 | [Cu]OCC[Au] | null | null | null | [0.583583754] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 1.892977 | -4,377.773913 | 9.330702 | 0.961422 |
3,936 | [Cu]OCC[Au] | null | null | null | [0.700216338] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 1.135786 | -5,028.819942 | 11.39882 | 0.961906 |
3,949 | [Cu]OCC[Au] | null | null | null | [0.777955819] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 0.757191 | -5,839.423325 | 13.48134 | 0.964604 |
3,962 | [Cu]OCC[Au] | null | null | null | [0.590759312] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 1.622551 | -3,979.553915 | 7.932291 | 0.938166 |
3,973 | [Cu]OCC[Au] | null | null | null | [0.70340017] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 0.98764 | -6,393.757876 | 14.826383 | 0.962155 |
3,984 | [Cu]OCC[Au] | null | null | null | [0.783027288] | [5000000.0] | O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)Sc1ccccc1)C(F)(F)F.[Li+] | 0.649021 | -2,627.27572 | 3.986087 | 0.819098 |
3,989 | [Cu]OCC[Au] | null | null | null | [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+] | 1.419732 | -4,913.887174 | 11.29076 | 0.944334 |
3,997 | [Cu]OCC[Au] | null | null | null | [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+] | 1.135786 | -4,969.60108 | 11.26799 | 0.942891 |
4,005 | [Cu]OCC[Au] | null | null | null | [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+] | 0.757191 | -5,602.943018 | 12.934524 | 0.963689 |
4,013 | [Cu]OCC[Au] | null | null | null | [0.600653012] | [300000.0] | O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+] | 2.065065 | -6,280.452501 | 14.245681 | 0.976072 |
4,021 | [Cu]OCC[Au] | null | null | null | [0.732241267] | [300000.0] | O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+] | 1.135786 | -6,882.831452 | 16.110078 | 0.938465 |
4,029 | [Cu]OCC[Au] | null | null | null | [0.804000667] | [300000.0] | O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.[Li+] | 0.757191 | -7,331.396045 | 17.706523 | 0.940337 |
4,037 | [Cu]OCC[Au] | null | null | null | [0.617255545] | [300000.0] | COCCOCC(I)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+] | 1.135786 | -6,625.3819 | 16.099542 | 0.952933 |
4,045 | [Cu]OCC[Au] | null | null | null | [0.707522289] | [300000.0] | COCCOCC(I)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+] | 0.757191 | -6,520.124739 | 15.539703 | 0.940176 |
4,053 | CC(C)C[P+](C)(C)C.O=S(=O)(F)[N-]S(=O)(=O)F | null | null | null | [0.5] | [313.0382931] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 5.349319 | -1,571.70735 | 2.179741 | 0.996413 |
4,060 | [Cu]OCC[Au] | N#CCCC#N | null | null | [0.5, 0.45] | [300000.0, 80.03744813] | O=C1O[B-](F)(F)OC1=O.[Li+] | 0.365493 | -1,286.558122 | 0.593172 | 0.996247 |
4,147 | O=C1OCCO1 | null | null | null | [0.896768079] | [88.01604399] | F[P-](F)(F)(F)(F)F.[Li+] | 0.757438 | -806.185092 | 0.551702 | 0.994865 |
4,152 | O=C1OCC(F)O1 | null | null | null | [0.905265261] | [106.0066222] | F[P-](F)(F)(F)(F)F.[Li+] | 0.688567 | -980.542175 | 1.058232 | 0.990359 |
4,161 | CC1COC(=O)O1 | null | null | null | [0.763171993] | [102.0316941] | F[P-](F)(F)(F)(F)F.[Li+] | 2.041849 | -896.751859 | 0.783514 | 0.992635 |
4,170 | O=C1OC(C)C(C)O1 | null | null | null | [0.832946464] | [116.0473441] | F[P-](F)(F)(F)(F)F.[Li+] | 1.319628 | -976.328024 | 0.888415 | 0.993283 |
4,179 | CCOC(OC)=O | null | null | null | [0.868651684] | [104.0473441] | F[P-](F)(F)(F)(F)F.[Li+] | 0.994929 | -407.749654 | -0.725521 | 0.988507 |
4,188 | 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 | null | null | [0.531977426, 0.463893555] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.01445 | -1,336.89353 | 2.352925 | 0.986617 |
4,207 | 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 | null | null | [0.53290631, 0.458821233] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.029071 | -2,014.686555 | 4.432598 | 0.727098 |
4,226 | 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 | null | null | [0.534773841, 0.448623264] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.05884 | -1,344.496828 | 2.344223 | 0.985286 |
4,245 | 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 | null | null | [0.540455807, 0.417595942] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.152596 | -1,338.712499 | 2.21703 | 0.983539 |
4,264 | 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 | null | null | [0.5501989, 0.364392149] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.325458 | -1,442.544735 | 2.468054 | 0.98847 |
4,283 | 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 | null | null | [0.653069918, 0.144174256] | [308.0676055, 408.0612184] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.886341 | -2,920.531959 | 7.017043 | 0.740623 |
4,302 | CCN1C=C[N+](C)=C1.F[B-](F)(F)F | null | null | null | [0.932243696] | [198.0951416] | F[B-](F)(F)F.[Li+] | 0.773045 | -1,696.022458 | 3.578745 | 0.985625 |
4,307 | C[P+](C)(CC(C)C)C.FS([N-]S(F)(=O)=O)(=O)=O | null | null | null | [0.61177] | [313.0382931] | O=S(=O)(F)[N-]S(=O)(=O)F.[Li+] | 3.394684 | -1,463.782288 | 1.882675 | 0.989681 |
4,317 | CC#N | null | null | null | [0.801976942] | [41.0265491] | O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+] | 1.272877 | -606.895331 | 0.410464 | 0.943219 |
4,343 | COCCOC | null | null | null | [0.695680502] | [90.12] | O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+] | 2.255032 | -717.51501 | 0.596608 | 0.946556 |
4,371 | CC1COC(=O)O1 | null | null | null | [0.716292958] | [102.0316941] | O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+] | 2.041795 | -1,800.610594 | 3.368185 | 0.927245 |
4,403 | CC1COC(=O)O1 | null | null | null | [0.630573103] | [102.0316941] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.041795 | -1,328.343562 | 2.07376 | 0.93676 |
4,436 | CC1COC(=O)O1 | null | null | null | [0.822126509] | [102.0316941] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 2.041795 | -1,216.502901 | 1.57337 | 0.93254 |
4,473 | CC1COC(=O)O1 | null | null | null | [0.75846366] | [102.0316941] | O=S(=O)([O-])C(F)(F)F.[Li+] | 2.041795 | -1,227.198826 | 1.215042 | 0.956015 |
4,508 | COCCOCCOCCOC | null | null | null | [0.383010538] | [178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.614177 | -1,583.350398 | 2.28952 | 0.999205 |
4,514 | COCCOCCOCCOC | null | null | null | [0.371730833] | [178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.890284 | -1,649.05375 | 2.415456 | 0.998862 |
4,520 | COCCOCCOCCOC | null | null | null | [0.360576403] | [178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 6.180312 | -1,638.242175 | 2.273674 | 0.996123 |
4,526 | COCCOCCOCCOC | null | null | null | [0.350459786] | [178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 6.459322 | -1,929.226867 | 3.149018 | 0.998484 |
4,532 | COCCOCCOCCOC | null | null | null | [0.341351377] | [178.1205091] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 6.724673 | -1,976.931121 | 3.161104 | 0.997449 |
4,538 | COCCOCCOCCOCCOC | null | null | null | [0.436368968] | [222.1467238] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 4.501529 | -1,734.115893 | 2.959974 | 0.997681 |
4,544 | COCCOCCOCCOCCOC | null | null | null | [0.424599263] | [222.1467238] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 4.722916 | -1,873.123416 | 3.322481 | 0.996359 |
4,550 | COCCOCCOCCOCCOC | null | null | null | [0.412901019] | [222.1467238] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 4.955465 | -2,015.345585 | 3.719352 | 0.99689 |
4,556 | COCCOCCOCCOCCOC | null | null | null | [0.402239849] | [222.1467238] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.179179 | -2,088.237307 | 3.838628 | 0.996884 |
4,562 | COCCOCCOCCOCCOC | null | null | null | [0.392599093] | [222.1467238] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 5.391942 | -2,183.914857 | 4.054335 | 0.998453 |
4,627 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | null | null | null | [0.905349602] | [324.1310291] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.544442 | -2,328.645176 | 4.668015 | 0.989887 |
4,636 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | COCCOCCOCCOC | null | null | [0.609120374, 0.330793377] | [324.1310291, 178.1205091] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.332914 | -1,494.337366 | 2.631101 | 0.991914 |
4,645 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | COCCOCCOCCOC | null | null | [0.770120372, 0.149366863] | [324.1310291, 178.1205091] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.456 | -1,829.023413 | 3.435207 | 0.990915 |
4,654 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | COCCOCCOCCOCCOC | null | null | [0.60650065, 0.330092322] | [324.1310291, 222.1467238] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.352559 | -1,555.20458 | 2.645708 | 0.991658 |
4,663 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | COCCOCCOCCOCCOC | null | null | [0.742700502, 0.179653363] | [324.1310291, 222.1467238] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.438397 | -1,867.702689 | 3.712125 | 0.98406 |
4,672 | FC(F)(C1=NC(C#N)=C([N-]1)C#N)F.CCCCN2C=C[N+](C)=C2 | COCCOCCOCCOCCOC | null | null | [0.815998982, 0.098691842] | [324.1310291, 222.1467238] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.485699 | -2,191.365913 | 4.376208 | 0.989 |
4,681 | C[N+]1(COC)CCCC1.O=S([N-]S(=O)(F)=O)(F)=O | null | null | null | [0.911455034] | [310.0468701] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.338569 | -1,282.093216 | 1.648391 | 0.978977 |
4,697 | C[N+]1(CCC)CCCC1.O=S([N-]S(=O)(F)=O)(F)=O | null | null | null | [0.910936819] | [308.0676055] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.340745 | -1,398.803374 | 1.883173 | 0.976711 |
4,713 | C[N+]1(CCCC1)CCCC.O=S([N-]S(=O)(F)=O)(F)=O | [Cu]OCC[Au] | null | null | [0.555555556, 0.355555556] | [322.0832556, 1000000.0] | [Li+].[O-][Cl+3]([O-])([O-])[O-] | 0.920695 | -1,168.407838 | 1.419064 | 0.993692 |
4,721 | CC1COC(=O)O1 | null | null | null | [0.942] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.320644 | -1,008.101115 | 0.332795 | 0.998363 |
4,729 | CC1COC(=O)O1 | null | null | null | [0.962] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.205709 | -968.624293 | 0.008863 | 0.996786 |
4,737 | CC1COC(=O)O1 | null | null | null | [0.981] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.100863 | -867.584581 | -0.444046 | 0.997693 |
4,745 | CC1COC(=O)O1 | null | null | null | [0.99] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.052603 | -853.998094 | -0.576206 | 0.998958 |
4,753 | CC1COC(=O)O1 | null | null | null | [0.996] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.020914 | -746.283288 | -1.184286 | 0.999067 |
4,761 | CC1COC(=O)O1 | null | null | null | [0.998] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.010436 | -754.048638 | -1.225482 | 0.996263 |
4,769 | CC1COC(=O)O1 | null | null | null | [0.99904] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.005004 | -801.636908 | -1.262029 | 0.998158 |
4,777 | CC1COC(=O)O1 | null | null | null | [0.99961594] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.002001 | -949.876558 | -1.091672 | 0.997146 |
4,785 | CC1COC(=O)O1 | null | null | null | [0.99980797] | [102.0316941] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.001 | -909.761773 | -1.493962 | 0.993191 |
4,793 | COC(OC)=O | O=C1OCCO1 | null | null | [0.577052667, 0.288526333] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.808735 | -876.66709 | 0.092098 | 0.998755 |
4,800 | COC(OC)=O | O=C1OCCO1 | null | null | [0.602656667, 0.301328333] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.553125 | -834.634148 | -0.108135 | 0.999055 |
4,807 | COC(OC)=O | O=C1OCCO1 | null | null | [0.641062667, 0.320531333] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.207995 | -685.403133 | -0.534783 | 0.996439 |
4,814 | COC(OC)=O | O=C1OCCO1 | null | null | [0.653864667, 0.326932333] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.101961 | -653.822503 | -0.900779 | 0.983178 |
4,821 | COC(OC)=O | O=C1OCCO1 | null | null | [0.660265667, 0.330132833] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.050486 | -613.853352 | -1.068529 | 0.997864 |
4,828 | COC(OC)=O | O=C1OCCO1 | null | null | [0.664106267, 0.332053133] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.020078 | -593.547187 | -1.447305 | 0.996738 |
4,835 | COC(OC)=O | O=C1OCCO1 | null | null | [0.665386467, 0.332693233] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.01002 | -578.547174 | -1.74973 | 0.997463 |
4,842 | COC(OC)=O | O=C1OCCO1 | null | null | [0.666026567, 0.333013283] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.005005 | -524.936929 | -2.119918 | 0.998136 |
4,849 | COC(OC)=O | O=C1OCCO1 | null | null | [0.666410627, 0.333205313] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.002001 | -430.473351 | -2.72824 | 0.991266 |
4,856 | COC(OC)=O | O=C1OCCO1 | null | null | [0.666538647, 0.333269323] | [90.03169405, 88.01604399] | N#Cc1nc(C(F)(F)F)[n-]c1C#N.[Li+] | 0.001 | -326.157763 | -3.453661 | 0.956848 |
4,901 | OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O | null | null | null | [0.8] | [384.2] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 0.871283 | -2,821.409904 | 4.327029 | 0.995666 |
4,909 | OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O | null | null | null | [0.7] | [384.2] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 1.493627 | -2,940.165855 | 4.593986 | 0.995625 |
4,918 | OCCOC(NCCCOCCOCCOCCCNC(CCO)=O)=O | null | null | null | [0.6] | [384.2] | O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+] | 2.32342 | -3,146.134094 | 5.091926 | 0.997898 |
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