[
  {
    "molid": "mol34469",
    "smiles": "CC(C)NC(=O)/C(=C(\\C(=O)O)C(C)C)C(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)NC(=O)/C(=C(\\C(=O)O)C(C)C)C(C)C",
        "std_free_energy": -3.233762502670288,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)NC(=O)/C(=C(\\C(=O)[O-])C(C)C)C(C)C",
        "std_free_energy": -9.745931625366211,
        "relative_population": 0.9999946775822741
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]