[
  {
    "molid": "mol32849",
    "smiles": "CC(C)(C)c1cc(C=CC#N)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(C=CC#N)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.872333526611328,
        "relative_population": 0.9999999970501147
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(C=CC#N)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 1.6384141445159912,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.94999999999999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]