[
  {
    "molid": "mol35985",
    "smiles": "O=C1C=C(C(=O)O)/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)N1",
        "std_free_energy": -10.43564224243164,
        "relative_population": 0.9944901652123667
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/[N-]c2ccc([N+](=O)[O-])cc2)C(=O)N1",
        "std_free_energy": -3.954864025115967,
        "relative_population": 0.5957222484852626
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C1C=C(C(=O)[O-])/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]1",
        "std_free_energy": -3.5668342113494873,
        "relative_population": 0.4041332776146716
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.93000030517578,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]