[
  {
    "molid": "mol36957",
    "smiles": "O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO",
        "std_free_energy": -4.255975723266602,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO",
        "std_free_energy": -8.195804595947266,
        "relative_population": 0.9999997938644196
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.09000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]