[
  {
    "molid": "mol34980",
    "smiles": "CCC(=O)NC(O)C(Cl)(Cl)Cl",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCC(=O)N[C@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 4.912799835205078,
        "relative_population": 0.9964886368537698
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(=O)[N-][C@H]([O-])C(Cl)(Cl)Cl",
        "std_free_energy": 10.466846466064453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.1599998474121,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]