[
  {
    "molid": "mol15169",
    "smiles": "O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1",
        "std_free_energy": -2.752915859222412,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=N[N-]c1nc([N+](=O)[O-])nn1-c1ccccc1",
        "std_free_energy": -10.427863121032715,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.3299999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.32999992370605,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]