[
  {
    "molid": "mol23423",
    "smiles": "COc1cc(CCC(=O)O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(CCC(=O)O)ccc1O",
        "std_free_energy": -4.526978015899658,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(CCC(=O)[O-])ccc1O",
        "std_free_energy": -8.707767486572266,
        "relative_population": 0.9997896912987556
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc(CCC(=O)[O-])ccc1[O-]",
        "std_free_energy": -0.14976023137569427,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.98,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]