[
  {
    "molid": "mol34000",
    "smiles": "O=C(O)c1ccc(S(=O)(=O)CCl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(S(=O)(=O)CCl)cc1",
        "std_free_energy": -2.629263401031494,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(S(=O)(=O)CCl)cc1",
        "std_free_energy": -10.15032958984375,
        "relative_population": 0.999959441350215
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.44000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]