[
  {
    "molid": "mol38594",
    "smiles": "O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1",
        "std_free_energy": -5.509335517883301,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)[N-]1",
        "std_free_energy": -5.176091194152832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]