[
  {
    "molid": "mol37104",
    "smiles": "ON=Cc1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=Cc1nc2ccccc2[nH]1",
        "std_free_energy": -0.2573201656341553,
        "relative_population": 0.9675071348685544
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]N=Cc1nc2ccccc2[n-]1",
        "std_free_energy": 9.229293823242188,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.4499998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]