[
  {
    "molid": "mol31264",
    "smiles": "O=C1c2ccccc2C(S(=O)(=O)O)=CC1(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1([O-])[O-]",
        "std_free_energy": 4.404315948486328,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1c2ccccc2C(S(=O)(=O)[O-])=CC1([O-])O",
        "std_free_energy": -3.7399895191192627,
        "relative_population": 0.9998497623345312
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.7,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]