[
  {
    "molid": "mol30530",
    "smiles": "CC(=O)c1cc(O)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1cc([O-])ccc1O",
        "std_free_energy": -1.1323325634002686,
        "relative_population": 0.776426093730555
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)c1cc(O)ccc1[O-]",
        "std_free_energy": 0.11262686550617218,
        "relative_population": 0.22357390497901852
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)c1cc([O-])ccc1[O-]",
        "std_free_energy": 12.030128479003906,
        "relative_population": 0.993989380861517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]