[
  {
    "molid": "mol32835",
    "smiles": "CC[C@@H](C)c1cc(C=C(C#N)C#N)cc([C@@H](C)CC)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C)c1cc(C=C(C#N)C#N)cc([C@@H](C)CC)c1O",
        "std_free_energy": -5.018195629119873,
        "relative_population": 0.9999999939162875
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@H](C)c1cc(C=C(C#N)C#N)cc([C@@H](C)CC)c1[O-]",
        "std_free_energy": -1.5183019638061523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]