[
  {
    "molid": "mol9605",
    "smiles": "O=C1C(O)=C(Cl)C(=O)C(Cl)=C1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(Cl)C(=O)C(Cl)=C1Cl",
        "std_free_energy": -0.0912005603313446,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C([O-])=C(Cl)C(=O)C(Cl)=C1Cl",
        "std_free_energy": -7.745567798614502,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]