[
  {
    "molid": "mol35983",
    "smiles": "O=C(O)C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)NC(=O)/C1=N\\Nc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C(=O)/C1=N\\[N-]c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": 4.314908981323242,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)NC(=O)/C1=N\\[N-]c1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -3.957111358642578,
        "relative_population": 0.34303344035772365
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C(=O)/C1=N\\Nc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -4.606695652008057,
        "relative_population": 0.6568214589229705
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.03999996185303,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]