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 |
|---|---|---|---|---|
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 75 | 4.812913 | 0.882768 | -3.004444 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 80 | 4.812913 | 0.882768 | -2.933931 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 25 | 4.812913 | 1.765537 | -6.234331 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 30 | 4.812913 | 1.765537 | -5.939302 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 35 | 4.812913 | 1.765537 | -5.679854 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 40 | 4.812913 | 1.765537 | -5.446117 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 45 | 4.812913 | 1.765537 | -5.236572 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 50 | 4.812913 | 1.765537 | -5.046724 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 55 | 4.812913 | 1.765537 | -4.872895 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 60 | 4.812913 | 1.765537 | -4.716699 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 65 | 4.812913 | 1.765537 | -4.573489 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 70 | 4.812913 | 1.765537 | -4.441291 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 75 | 4.812913 | 1.765537 | -4.318759 |
COCCOCCO[P](C)(=NP(=[N]C)(OCCOCCOC)OCCOCCOC)OCCOCCOC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O.[Li+] | 80 | 4.812913 | 1.765537 | -4.20621 |
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