[
  {
    "molid": "mol36372",
    "smiles": "O=C(O)c1cc(NC(=O)C(F)(F)F)ccc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc(NC(=O)C(F)(F)F)ccc1[N+](=O)[O-]",
        "std_free_energy": -1.1212937831878662,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(NC(=O)C(F)(F)F)ccc1[N+](=O)[O-]",
        "std_free_energy": -11.282208442687988,
        "relative_population": 0.9991925075417595
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]