[
  {
    "molid": "mol34094",
    "smiles": "Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1",
        "std_free_energy": -4.135729789733887,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc(C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1",
        "std_free_energy": -8.419998168945312,
        "relative_population": 0.9965061197442604
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]