[
  {
    "molid": "mol34695",
    "smiles": "CC(=O)C=C(O)Nc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)C=C(O)Nc1ccc(Cl)cc1",
        "std_free_energy": -6.151747703552246,
        "relative_population": 0.9999993513649562
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C=C([O-])Nc1ccc(Cl)cc1",
        "std_free_energy": -2.4906489849090576,
        "relative_population": 0.962671198365751
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.65999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]