[
  {
    "molid": "mol31380",
    "smiles": "CCC(OO)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC(OO)(c1ccccc1)c1ccccc1",
        "std_free_energy": -7.725003719329834,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(O[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": 6.396512985229492,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]