[
  {
    "molid": "mol35986",
    "smiles": "O=C1C=C(C(=O)O)/C(=N/Nc2ccccc2C(=O)O)C(=O)N1",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/[N-]c2ccccc2C(=O)[O-])C(=O)[N-]1",
        "std_free_energy": 5.431750774383545,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/[N-]c2ccccc2C(=O)[O-])C(=O)N1",
        "std_free_energy": -2.7756762504577637,
        "relative_population": 0.4648327863625391
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/Nc2ccccc2C(=O)[O-])C(=O)[N-]1",
        "std_free_energy": -2.9158103466033936,
        "relative_population": 0.5347566790044095
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.77999973297119,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]