[
  {
    "molid": "mol31247",
    "smiles": "O=S(=O)(O)c1cccc2c1C=CC2=C(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1cccc2c1C=CC2=C(O)O",
        "std_free_energy": 6.7302398681640625,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2c1C=CC2=C(O)O",
        "std_free_energy": -1.8518164157867432,
        "relative_population": 0.9998944384214389
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.33000004291534,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]