[
  {
    "molid": "mol11235",
    "smiles": "CC(C)c1cccc(C(=O)O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)c1cccc(C(=O)O)c1O",
        "std_free_energy": -3.0946402549743652,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)c1cccc(C(=O)[O-])c1O",
        "std_free_energy": -11.412720680236816,
        "relative_population": 0.9999929876276289
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.76,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]