[
  {
    "molid": "mol36007",
    "smiles": "O=C(O)CC(O)(O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC(O)(O)C(F)(F)F",
        "std_free_energy": -2.1361379623413086,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC(O)(O)C(F)(F)F",
        "std_free_energy": -10.0445556640625,
        "relative_population": 0.9998956509347592
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]