[
  {
    "molid": "mol31293",
    "smiles": "CC1(C)OC(=O)C(=C(O)Cc2cc(F)c(F)cc2F)C(=O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC(=O)C(=C(O)Cc2cc(F)c(F)cc2F)C(=O)O1",
        "std_free_energy": -1.5073453187942505,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)OC(=O)C(=C([O-])Cc2cc(F)c(F)cc2F)C(=O)O1",
        "std_free_energy": -10.091941833496094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]