[
  {
    "molid": "mol17007",
    "smiles": "O=C(Nc1ccccc1C(F)(F)F)C1CN(c2ccccc2)C(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CN(c2ccccc2)C(=O)C1=O",
        "std_free_energy": -5.3209662437438965,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Nc1ccccc1C(F)(F)F)[C-]1CN(c2ccccc2)C(=O)C1=O",
        "std_free_energy": -1.213061809539795,
        "relative_population": 0.9677487391520325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.87,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]