[
  {
    "molid": "mol30891",
    "smiles": "O=S(=O)(O)c1ccc2c(O)c(O)c3ccccc3c2c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1ccc2c(O)c(O)c3ccccc3c2c1",
        "std_free_energy": -7.0915703773498535,
        "relative_population": 0.9943585248580674
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c(O)c([O-])c3ccccc3c2c1",
        "std_free_energy": -3.788417339324951,
        "relative_population": 0.5554210419453359
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc2c([O-])c(O)c3ccccc3c2c1",
        "std_free_energy": -3.565781593322754,
        "relative_population": 0.44456252746010316
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]