[
  {
    "molid": "mol31297",
    "smiles": "OC1C2OC3OC1C(O)(C(F)(F)F)C(O3)C2(O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@H]1[C@H]2O[C@@H]3O[C@H]([C@@]2(O)C(F)(F)F)[C@@](O)(C(F)(F)F)[C@H]1O3",
        "std_free_energy": -4.77082633972168,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@]1(C(F)(F)F)[C@@H]2O[C@@H]3O[C@H]1[C@@](O)(C(F)(F)F)[C@@H](O3)[C@@H]2O",
        "std_free_energy": -2.6864218711853027,
        "relative_population": 0.99924821380341
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]