[
  {
    "molid": "mol37087",
    "smiles": "O=CC(C=O)C(c1ccccc1)N1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CC(C=O)[C@@H](c1ccccc1)N1CCOCC1",
        "std_free_energy": -5.852248191833496,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C[C-](C=O)[C@@H](c1ccccc1)N1CCOCC1",
        "std_free_energy": -2.638401508331299,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]