[
  {
    "molid": "mol37086",
    "smiles": "O=CC(C=O)C(c1ccccc1)N1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CC(C=O)[C@@H](c1ccccc1)N1CCCCC1",
        "std_free_energy": -3.3802437782287598,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C[C-](C=O)[C@@H](c1ccccc1)N1CCCCC1",
        "std_free_energy": -0.5648297071456909,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]