[
  {
    "molid": "mol10027",
    "smiles": "O=C(O)c1c(F)c(F)c(O)c(F)c1F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1c(F)c(F)c(O)c(F)c1F",
        "std_free_energy": 0.04694241285324097,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1c(F)c(F)c(O)c(F)c1F",
        "std_free_energy": -8.565825462341309,
        "relative_population": 0.9548182798914662
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1c(F)c(F)c([O-])c(F)c1F",
        "std_free_energy": -8.295804977416992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.26999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.17,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.17000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]