[
  {
    "molid": "mol31367",
    "smiles": "O=C(O)C(Cl)(Cl)OO",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(Cl)(Cl)OO",
        "std_free_energy": -12.167346000671387,
        "relative_population": 0.9998180721901944
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(Cl)(Cl)O[O-]",
        "std_free_energy": -2.383802890777588,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]