[
  {
    "molid": "mol9658",
    "smiles": "O=C(O)c1c[n+]([O-])ccc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)c1c[n+]([O-])ccc1O",
        "std_free_energy": -2.42855167388916,
        "relative_population": 0.9994726042411256
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1c[n+]([O-])ccc1O",
        "std_free_energy": -10.87264347076416,
        "relative_population": 0.9978437499512886
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]