[
  {
    "molid": "mol34405",
    "smiles": "COc1ccc(N/N=C2\\C(=O)NC(=O)C=C2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "COc1ccc([N-]/N=C2\\C(=O)[N-]C(=O)C=C2C(=O)[O-])cc1",
        "std_free_energy": 6.183867454528809,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc([N-]/N=C2\\C(=O)NC(=O)C=C2C(=O)[O-])cc1",
        "std_free_energy": -1.374147891998291,
        "relative_population": 0.44867637581133196
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COc1ccc(N/N=C2\\C(=O)[N-]C(=O)C=C2C(=O)[O-])cc1",
        "std_free_energy": -1.5795098543167114,
        "relative_population": 0.5509608883575673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.15999984741211,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]