[
  {
    "molid": "mol37919",
    "smiles": "COc1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)O)ccc32)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(N/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": -8.437583923339844,
        "relative_population": 0.9999101488227665
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc([N-]/N=C2\\C(=O)C=Cc3cc(S(=O)(=O)[O-])ccc32)cc1",
        "std_free_energy": 1.046295404434204,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]