STRUCTURE_SMILES,LOGINV_MRDD_mmol
C(O)(=O)C(C)O,-0.045381747149067
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CCO,-0.336596870951958
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O[C@@H]1[C@@](O)(CO)OC[C@@H](O)[C@H]1O,-0.364487613606041
NC(CO)(CO)CO,-0.393851611075259
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C1CNCCN1,0.111056849338614
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CCOC(=O)c1c(C)cc2c(c1C)C(=O)N\N=C2\CO,0.14033171259796
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[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O,0.20400861482035
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