[
  {
    "molid": "mol33996",
    "smiles": "O=C(O)CN(CCCl)CCCl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CCCl)CCCl",
        "std_free_energy": -10.577353477478027,
        "relative_population": 0.9982633170549875
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN(CCCl)CCCl",
        "std_free_energy": -9.588523864746094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.23999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]