[
  {
    "molid": "mol7108",
    "smiles": "Nc1ncncc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ncncc1[N+](=O)[O-]",
        "std_free_energy": -7.522641181945801,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1nc[nH+]cc1[N+](=O)[O-]",
        "std_free_energy": 4.300173759460449,
        "relative_population": 0.7950988099691004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1[nH+]cncc1[N+](=O)[O-]",
        "std_free_energy": 5.927535533905029,
        "relative_population": 0.15619490551858217
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.98,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]