[
  {
    "molid": "mol35010",
    "smiles": "CC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1",
        "std_free_energy": -4.104804992675781,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1",
        "std_free_energy": -9.728121757507324,
        "relative_population": 0.9999972743785487
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]