[
  {
    "molid": "mol25636",
    "smiles": "Cc1c(I)c(O)n(-c2ccccc2)[n+]1C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(I)c([O-])n(-c2ccccc2)[n+]1C",
        "std_free_energy": -5.262270927429199,
        "relative_population": 0.9999630998039843
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(I)c(O)n(-c2ccccc2)[n+]1C",
        "std_free_energy": 7.956231594085693,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]