[
  {
    "molid": "mol34090",
    "smiles": "CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O",
        "std_free_energy": -6.866316795349121,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[C@H](Cc1ccc([O-])cc1)NC(C)=O",
        "std_free_energy": -0.34745997190475464,
        "relative_population": 0.99385556130668
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]