[
  {
    "molid": "mol37920",
    "smiles": "COc1ccccc1NN=C1C=C(S(=O)(=O)O)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccccc1NN=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O",
        "std_free_energy": -7.706657409667969,
        "relative_population": 0.9982328406363438
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccccc1[N-]N=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O",
        "std_free_energy": -1.3351664543151855,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]