[
  {
    "molid": "mol13967",
    "smiles": "NC(=O)Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -7.845394134521484,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=O)Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": 9.649590492248535,
        "relative_population": 0.7211500444006107
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[N-]c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": 10.599763870239258,
        "relative_population": 0.2788499555993893
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]