[
  {
    "molid": "mol38493",
    "smiles": "FC(F)(F)C(Br)CNCc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)[C@H](Br)CNCc1ccccc1",
        "std_free_energy": -5.187258243560791,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)(F)[C@H](Br)C[NH2+]Cc1ccccc1",
        "std_free_energy": -5.702237129211426,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]