Datasets:
smiles
large_stringclasses 302
values | temperature
float64 -30
190
| log_mw
float64 2.28
8.05
| molality
float64 0
204
| conductivity
float64 -15.01
-1.35
|
|---|---|---|---|---|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -19.581395
| 4.506505
| 0
| -10.357013
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -9.813953
| 4.506505
| 0
| -9.107468
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 0.387597
| 4.506505
| 0
| -7.972678
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 10.155039
| 4.506505
| 0
| -7.169399
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 20.790698
| 4.506505
| 0
| -6.36612
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 24.697674
| 4.506505
| 0
| -6.034608
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 30.341085
| 4.506505
| 0
| -5.741348
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 40.542636
| 4.506505
| 0
| -5.24408
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 49.224806
| 4.506505
| 0
| -4.619308
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 60.728682
| 4.506505
| 0
| -4.351548
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 70.27907
| 4.506505
| 0
| -4.032787
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 79.612403
| 4.506505
| 0
| -3.765027
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 89.596899
| 4.506505
| 0
| -3.612022
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)CC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 95.24031
| 4.506505
| 0
| -3.54827
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -19.548989
| 4.403121
| 0
| -10.24359
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -9.533437
| 4.403121
| 0
| -9.294872
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 0.482115
| 4.403121
| 0
| -8.294872
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 10.062208
| 4.403121
| 0
| -7.358974
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 20.29549
| 4.403121
| 0
| -6.602564
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 25.738725
| 4.403121
| 0
| -6.25641
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 30.093313
| 4.403121
| 0
| -5.487179
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 40.108865
| 4.403121
| 0
| -5.076923
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 50.559876
| 4.403121
| 0
| -4.602564
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 60.575428
| 4.403121
| 0
| -4.102564
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 65.365474
| 4.403121
| 0
| -4.012821
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 69.720062
| 4.403121
| 0
| -3.807692
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 74.510109
| 4.403121
| 0
| -3.74359
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 79.300156
| 4.403121
| 0
| -3.576923
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 85.396579
| 4.403121
| 0
| -3.525641
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 89.751166
| 4.403121
| 0
| -3.397436
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 94.758942
| 4.403121
| 0
| -3.371795
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -20.637636
| 4.093422
| 0
| -9.693431
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -10.622084
| 4.093422
| 0
| -8.786496
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -0.606532
| 4.093422
| 0
| -7.636861
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 10.062208
| 4.093422
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| -6.934307
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 19.860031
| 4.093422
| 0
| -6.218978
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 24.432348
| 4.093422
| 0
| -5.912409
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 29.222395
| 4.093422
| 0
| -5.720803
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 39.891135
| 4.093422
| 0
| -5.133212
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 49.03577
| 4.093422
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| -4.583942
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 58.833593
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| 64.712286
| 4.093422
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| 68.631415
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| 80.171073
| 4.093422
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| 89.968896
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| 94.541213
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| -3.114964
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| -10
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| 20
| 4.383815
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| 25
| 4.383815
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| 40
| 4.383815
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| 49.565217
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| 70
| 4.383815
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| 78.913043
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| 89.782609
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| 95
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| -3.331512
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -19.565217
| 4.262451
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| -7.338208
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -10
| 4.262451
| 0
| -6.634369
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| -0.434783
| 4.262451
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| -6.058501
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 9.782609
| 4.262451
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 19.782609
| 4.262451
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 24.565217
| 4.262451
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| -5.09872
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CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 30.217391
| 4.262451
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| -4.906764
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 40.217391
| 4.262451
| 0
| -4.586837
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 49.782609
| 4.262451
| 0
| -4.318099
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 60
| 4.262451
| 0
| -3.972578
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 70.217391
| 4.262451
| 0
| -3.74223
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 78.695652
| 4.262451
| 0
| -3.588665
|
CCC(C1=CC=C(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)C=C1)C(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(C(OCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC.[Li+]
| 95
| 4.262451
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| -3.345521
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 99.848907
| 4.812913
| 0
| -10.881671
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 90.135628
| 4.812913
| 0
| -11.351508
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 79.589161
| 4.812913
| 0
| -11.699536
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 70.106419
| 4.812913
| 0
| -12.134571
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 60.085029
| 4.812913
| 0
| -12.447796
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 49.660986
| 4.812913
| 0
| -12.517401
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 39.999492
| 4.812913
| 0
| -12.534803
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 30.16496
| 4.812913
| 0
| -12.62181
|
O=C1O[B-]2(OC1=O)OC(=O)[CH](C)CC(CC1CC([CH2]C)C(=O)O[B-]3(OC(=O)C(=O)O3)OC1=O)C(=O)O2.[Li+]
| 20.127923
| 4.812913
| 0
| -12.848028
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 80.443536
| 4.812913
| 0
| -4.982343
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 70.494974
| 4.812913
| 0
| -5.219904
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 60.002432
| 4.812913
| 0
| -5.547352
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 49.367078
| 4.812913
| 0
| -5.784912
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O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 39.808092
| 4.812913
| 0
| -6.028892
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 29.899037
| 4.812913
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| -6.311396
|
O=C(OOCCOCCOC[CH2][Al-]([O]C)([O]C)[O]C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)[O][Al-](C)([O]C)[O]C.[Li+]
| 24.714609
| 4.812913
| 0
| -6.46549
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 80.13823
| 4.812913
| 0
| -4.988764
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 70.206599
| 4.812913
| 0
| -5.162119
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 60.070261
| 4.812913
| 0
| -5.373997
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 49.876317
| 4.812913
| 0
| -5.540931
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 40.227555
| 4.812913
| 0
| -5.746388
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 30.630272
| 4.812913
| 0
| -5.958266
|
C[Al-](OC)(OC)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOCCOCCOCCOCCOCCC.[Li+]
| 24.985905
| 4.812913
| 0
| -6.086677
|
O=C(OOCCOCCOCC[B-]([O]C)([O]C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)O[B-](C)([O]C)[O]C.[Li+]
| 80.749369
| 4.812913
| 0
| -4.314607
|
O=C(OOCCOCCOCC[B-]([O]C)([O]C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)O[B-](C)([O]C)[O]C.[Li+]
| 70.711572
| 4.812913
| 0
| -4.500803
|
O=C(OOCCOCCOCC[B-]([O]C)([O]C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)O[B-](C)([O]C)[O]C.[Li+]
| 60.138117
| 4.812913
| 0
| -4.725522
|
O=C(OOCCOCCOCC[B-]([O]C)([O]C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OOCCOCCOC[CH2]C)C(F)(F)C(F)(F)C(F)(F)C(=O)O[B-](C)([O]C)[O]C.[Li+]
| 50.067697
| 4.812913
| 0
| -4.995185
|
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