[
  {
    "molid": "mol31341",
    "smiles": "O=C(O)COO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])COO",
        "std_free_energy": -10.887136459350586,
        "relative_population": 0.9999853802524873
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])CO[O-]",
        "std_free_energy": 2.473111152648926,
        "relative_population": 0.9910992147043665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]