[
  {
    "molid": "mol35471",
    "smiles": "Cc1cc([N+](=O)[O-])ccc1N=Cc1c(O)ccc2ccccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc([N+](=O)[O-])ccc1N=Cc1c(O)ccc2ccccc12",
        "std_free_energy": -5.878945827484131,
        "relative_population": 0.9962126707006582
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([N+](=O)[O-])ccc1N=Cc1c([O-])ccc2ccccc12",
        "std_free_energy": -3.43776798248291,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.60999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]