Datasets:
eamag
/
Chem-prop-pred

Dataset card Data Studio Files
xet
Community
1
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
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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.[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
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
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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
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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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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
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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+]
24.432348
4.093422
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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
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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+]
39.891135
4.093422
0
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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
0
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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
4.093422
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64.712286
4.093422
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68.631415
4.093422
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80.171073
4.093422
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89.968896
4.093422
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94.541213
4.093422
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-19.782609
4.383815
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-10
4.383815
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0.217391
4.383815
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10.652174
4.383815
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20
4.383815
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29.782609
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40
4.383815
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49.565217
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59.782609
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70
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78.913043
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89.782609
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95
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