[
  {
    "molid": "mol37041",
    "smiles": "ON=C(C[n+]1cccc2ccccc21)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]N=C(C[n+]1cccc2ccccc21)c1ccccc1",
        "std_free_energy": -3.1384782791137695,
        "relative_population": 0.9993309658629665
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ON=C(C[n+]1cccc2ccccc21)c1ccccc1",
        "std_free_energy": -5.884586334228516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.81999969482422,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]