[
  {
    "molid": "mol25689",
    "smiles": "C[n+]1ncccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ncccc1[O-]",
        "std_free_energy": -6.317235469818115,
        "relative_population": 0.999997051892013
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1[nH+]cccc1[O-]",
        "std_free_energy": 6.6106858253479,
        "relative_population": 0.9374311241645472
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1ncccc1O",
        "std_free_energy": 9.317561149597168,
        "relative_population": 0.0625688758354528
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]