[
  {
    "molid": "mol26196",
    "smiles": "C[n+]1cnc2ccccc2c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cnc2ccccc2c1[O-]",
        "std_free_energy": -6.305244445800781,
        "relative_population": 0.9999766350884999
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c[nH+]c2ccccc2c1[O-]",
        "std_free_energy": 7.530515193939209,
        "relative_population": 0.15286923744107622
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cnc2ccccc2c1O",
        "std_free_energy": 5.818243026733398,
        "relative_population": 0.8471307625589237
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]