[
  {
    "molid": "mol9191",
    "smiles": "OCC(F)(F)C(F)(F)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCC(F)(F)C(F)(F)CO",
        "std_free_energy": -7.163722038269043,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CC(F)(F)C(F)(F)CO",
        "std_free_energy": 6.646268844604492,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]CC(F)(F)C(F)(F)C[O-]",
        "std_free_energy": 8.590805053710938,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]