[
  {
    "molid": "mol35532",
    "smiles": "Nc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1",
        "std_free_energy": -6.578205108642578,
        "relative_population": 0.9999563197106064
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)c2cc([O-])ccc2O)cc1",
        "std_free_energy": -2.1186411380767822,
        "relative_population": 0.5572172084897894
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)c2cc(O)ccc2[O-])cc1",
        "std_free_energy": -1.8887463808059692,
        "relative_population": 0.4427743923717054
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]