[
  {
    "molid": "mol35351",
    "smiles": "Cc1cc(Cl)ccc1S(=O)(=O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)ccc1S(=O)(=O)CC(=O)O",
        "std_free_energy": -1.4948424100875854,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(Cl)ccc1S(=O)(=O)CC(=O)[O-]",
        "std_free_energy": -11.490076065063477,
        "relative_population": 0.9989772674208652
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6800000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]