[
  {
    "molid": "mol14657",
    "smiles": "CC(C)(C)c1cc(/C=C/C(=O)O)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1O",
        "std_free_energy": -8.84119987487793,
        "relative_population": 0.9999497899441225
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(/C=C/C(=O)[O-])cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 2.2415201663970947,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]