[
  {
    "molid": "mol37040",
    "smiles": "ON=C(C[n+]1ccc2ccccc2c1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]N=C(C[n+]1ccc2ccccc2c1)c1ccccc1",
        "std_free_energy": -3.234407663345337,
        "relative_population": 0.9991318376753147
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ON=C(C[n+]1ccc2ccccc2c1)c1ccccc1",
        "std_free_energy": -6.054944038391113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.71000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]