[
  {
    "molid": "mol36802",
    "smiles": "[O-][S+]([O-])OC(O)C(O)CO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][S+]([O-])O[C@H](O)[C@@H](O)CO",
        "std_free_energy": -6.678140163421631,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]