[
  {
    "molid": "mol30763",
    "smiles": "O=S(=O)(O)c1cc(O)c2ccccc2c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(O)c2ccccc2c1O",
        "std_free_energy": -8.706109046936035,
        "relative_population": 0.9990081542056639
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)c2ccccc2c1[O-]",
        "std_free_energy": -2.680889368057251,
        "relative_population": 0.5497865021760822
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc([O-])c2ccccc2c1O",
        "std_free_energy": -2.4805963039398193,
        "relative_population": 0.4499952201805201
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]