[
  {
    "molid": "mol26059",
    "smiles": "C[n+]1ccc2ccccc2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccc2ccccc2c1[O-]",
        "std_free_energy": -6.845026969909668,
        "relative_population": 0.9999980175583476
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccc2ccccc2c1O",
        "std_free_energy": 11.969964027404785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]