[
  {
    "molid": "mol36710",
    "smiles": "O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1",
        "std_free_energy": -11.13538932800293,
        "relative_population": 0.9999864706472235
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ccccc1",
        "std_free_energy": -0.3261123597621918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]