[
  {
    "molid": "mol36906",
    "smiles": "OCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCC[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
        "std_free_energy": -6.180871486663818,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CC[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F",
        "std_free_energy": 7.939757347106934,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3299999237061,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]