[
  {
    "molid": "mol37965",
    "smiles": "O=C1/C(=N\\Nc2ccc(S(=O)(=O)O)cc2)C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C1/C(=N\\[N-]c2ccc(S(=O)(=O)[O-])cc2)C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -3.2909693717956543,
        "relative_population": 1.0
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C1/C(=N\\Nc2ccc(S(=O)(=O)[O-])cc2)C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -10.167795181274414,
        "relative_population": 0.9954941638488201
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3000001907349,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]