[
  {
    "molid": "mol36161",
    "smiles": "O=C(O)CN(CN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](C[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -4.083332538604736,
        "relative_population": 0.9826733843366873
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN(C[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -9.934922218322754,
        "relative_population": 0.7256450206855829
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN(CN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -8.962284088134766,
        "relative_population": 0.274354979314417
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.73000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]