[
  {
    "molid": "mol35573",
    "smiles": "Cc1ccc(/N=N/C(O)=NNc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(/N=N/C(O)=N/Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -4.310878753662109,
        "relative_population": 0.9999928186318879
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(/N=N/C(O)=N/[N-]c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -5.680270195007324,
        "relative_population": 0.7141096470074517
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(/N=N/C([O-])=N/Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -4.7648420333862305,
        "relative_population": 0.2858903529925483
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]