[
  {
    "molid": "mol37924",
    "smiles": "C[n+]1cccc2c(S(=O)(=O)[O-])ccc(O)c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cccc2c(S(=O)(=O)[O-])ccc(O)c21",
        "std_free_energy": -3.2117323875427246,
        "relative_population": 0.9965109189973823
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[n+]1cccc2c(S(=O)(=O)[O-])ccc([O-])c21",
        "std_free_energy": -5.8119354248046875,
        "relative_population": 0.9984092904296684
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]