[
  {
    "molid": "mol26956",
    "smiles": "O=C(CS(=O)(=O)O)CS(=O)(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([CH-]S(=O)(=O)[O-])[CH-]S(=O)(=O)O",
        "std_free_energy": -6.057489395141602,
        "relative_population": 0.07398578264550394
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([CH-]S(=O)(=O)[O-])CS(=O)(=O)[O-]",
        "std_free_energy": -8.584506034851074,
        "relative_population": 0.9260142173544962
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(CS(=O)(=O)[O-])CS(=O)(=O)[O-]",
        "std_free_energy": -13.602691650390625,
        "relative_population": 0.991523891163691
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.725,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]