[
  {
    "molid": "mol30761",
    "smiles": "O=S(=O)(O)c1cc2ccccc2c(O)c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc2ccccc2c(O)c1O",
        "std_free_energy": -8.187725067138672,
        "relative_population": 0.9956138334298902
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc2ccccc2c([O-])c1O",
        "std_free_energy": -3.443714141845703,
        "relative_population": 0.5129912128904633
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc2ccccc2c(O)c1[O-]",
        "std_free_energy": -3.39152193069458,
        "relative_population": 0.48690376950470343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]