[
  {
    "molid": "mol35953",
    "smiles": "[O-][n+]1ccccc1-c1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1ccccc1-c1nnn[nH]1",
        "std_free_energy": -2.9420289993286133,
        "relative_population": 0.9933281463403834
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[n+]1ccccc1-c1nnn[nH]1",
        "std_free_energy": 10.813360214233398,
        "relative_population": 0.9867294941604439
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.3400000333786,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]