[
  {
    "molid": "mol36036",
    "smiles": "CCP(=O)(CC)C(=NNc1ccc([N+](=O)[O-])cc1)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCP(=O)(CC)C(=NNc1ccc([N+](=O)[O-])cc1)C(C)=O",
        "std_free_energy": -5.959536552429199,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCP(=O)(CC)C(=N[N-]c1ccc([N+](=O)[O-])cc1)C(C)=O",
        "std_free_energy": -1.4434016942977905,
        "relative_population": 0.9926198409142785
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]