[
  {
    "molid": "mol355",
    "smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O",
        "std_free_energy": -2.1726999282836914,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(-c2ccc(F)cc2F)ccc1O",
        "std_free_energy": -11.56726360321045,
        "relative_population": 0.9999304536757512
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]