[
  {
    "molid": "mol7691",
    "smiles": "Cc1cc2cc([N+](=O)[O-])ccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2cc([N+](=O)[O-])ccc2[nH]1",
        "std_free_energy": -7.9312262535095215,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc2cc([N+](=O)[O-])ccc2[n-]1",
        "std_free_energy": 6.454481601715088,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]