[
  {
    "molid": "mol36599",
    "smiles": "COC(=O)CNC(=O)c1ccc(N=Cc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)CNC(=O)c1ccc(N=Cc2ccc(O)cc2)cc1",
        "std_free_energy": -6.427804470062256,
        "relative_population": 0.9975423388376766
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)CNC(=O)c1ccc(N=Cc2ccc([O-])cc2)cc1",
        "std_free_energy": -1.8762836456298828,
        "relative_population": 0.9767880822057995
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]