[
  {
    "molid": "mol30696",
    "smiles": "CC(C)(C)c1cc(O)c(O)c(C(C)(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(O)c(O)c(C(C)(C)C)c1",
        "std_free_energy": -7.195939064025879,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc([O-])c(O)c(C(C)(C)C)c1",
        "std_free_energy": -0.3628491163253784,
        "relative_population": 0.9184897672513128
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(O)c([O-])c(C(C)(C)C)c1",
        "std_free_energy": 2.0591530799865723,
        "relative_population": 0.08151023274868713
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.325,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]