[
  {
    "molid": "mol10478",
    "smiles": "O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O",
        "std_free_energy": 3.7142786979675293,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O",
        "std_free_energy": -9.706239700317383,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-]",
        "std_free_energy": -15.339910507202148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.25999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.94,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.64,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]