[
  {
    "molid": "mol38413",
    "smiles": "O=C(CCN1CCCCC1)CN1C(=O)CC(c2ccc(Cl)cc2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCN1CCCCC1)CN1C(=O)C[C@H](c2ccc(Cl)cc2)C1=O",
        "std_free_energy": -3.667166233062744,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(CC[NH+]1CCCCC1)CN1C(=O)C[C@H](c2ccc(Cl)cc2)C1=O",
        "std_free_energy": -7.312933444976807,
        "relative_population": 0.976652891844049
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.59000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]