[
  {
    "molid": "mol35974",
    "smiles": "C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)O)C(F)(F)F",
        "std_free_energy": 0.8722147941589355,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=C(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)[O-])C(F)(F)F",
        "std_free_energy": -13.250417709350586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]