[
  {
    "molid": "mol34731",
    "smiles": "CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C",
        "std_free_energy": -7.039994239807129,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]