[
  {
    "molid": "mol16549",
    "smiles": "O=C(O)[C@@H]1C[C@H](Cc2cccc(F)c2)CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1C[C@H](Cc2cccc(F)c2)C[NH2+]1",
        "std_free_energy": -12.370899200439453,
        "relative_population": 0.999991738475197
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1C[C@H](Cc2cccc(F)c2)CN1",
        "std_free_energy": -5.234474182128906,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]