[
  {
    "molid": "mol30775",
    "smiles": "O=S(=O)(O)c1cc(Cl)cc(Cl)c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(Cl)cc(Cl)c1O",
        "std_free_energy": -10.415336608886719,
        "relative_population": 0.999829440833398
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(Cl)cc(Cl)c1[O-]",
        "std_free_energy": -5.39310884475708,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]