[
  {
    "molid": "mol10402",
    "smiles": "CC(=O)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccc(O)cc1O",
        "std_free_energy": -5.462774276733398,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccc([O-])cc1O",
        "std_free_energy": -3.201846122741699,
        "relative_population": 0.9005302879958449
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)c1ccc(O)cc1[O-]",
        "std_free_energy": -0.9987155199050903,
        "relative_population": 0.09946971200415515
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)c1ccc([O-])cc1[O-]",
        "std_free_energy": 9.846370697021484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.76,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]