[
  {
    "molid": "mol37928",
    "smiles": "Cc1ccccc1N/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)O)ccc21",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccccc1N/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -8.412611961364746,
        "relative_population": 0.9996134422627627
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccccc1[N-]/N=C1\\C(=O)C=Cc2cc(S(=O)(=O)[O-])ccc21",
        "std_free_energy": -0.8641212582588196,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]