[
  {
    "molid": "mol36531",
    "smiles": "CNC(=O)Nc1c[n+]([O-])cc(-c2ccccc2)[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "CNC(=O)Nc1c[n+]([O-])cc(-c2ccccc2)[n+]1[O-]",
        "std_free_energy": -6.115223407745361,
        "relative_population": 0.9999960253112402
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=O)[N-]c1c[n+]([O-])cc(-c2ccccc2)[n+]1[O-]",
        "std_free_energy": 0.09271185100078583,
        "relative_population": 0.9118419823502488
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[N-]C(=O)Nc1c[n+]([O-])cc(-c2ccccc2)[n+]1[O-]",
        "std_free_energy": 2.4707114696502686,
        "relative_population": 0.08456048621158258
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.039999961853,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]