[
  {
    "molid": "mol31123",
    "smiles": "CCC1=C(O)CCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1=C(O)CCC1=O",
        "std_free_energy": -3.775984764099121,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCC1=C([O-])CCC1=O",
        "std_free_energy": -5.528768062591553,
        "relative_population": 0.9762598819902594
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]