[
  {
    "molid": "mol30317",
    "smiles": "CN1c2ccccc2-c2ccccc2C1(O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1c2ccccc2-c2ccccc2[C@@]1(O)c1ccccc1",
        "std_free_energy": -7.635193824768066,
        "relative_population": 0.9941821272435477
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1c2ccccc2-c2ccccc2[C@@]1([O-])c1ccccc1",
        "std_free_energy": 6.111309051513672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]