[
  {
    "molid": "mol38103",
    "smiles": "O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1CN1CCCCC1",
        "std_free_energy": -6.203747749328613,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C(NCc1ccccc1)[C@@H]1CCC(=O)N1C[NH+]1CCCCC1",
        "std_free_energy": -6.903114318847656,
        "relative_population": 0.9965134727565913
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]