[
  {
    "molid": "mol16548",
    "smiles": "Cc1ccc2nc(C(F)F)nc(O)c2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc2nc(C(F)F)nc(O)c2c1",
        "std_free_energy": -5.644983291625977,
        "relative_population": 0.9999966973242074
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2nc(C(F)F)nc([O-])c2c1",
        "std_free_energy": -4.588663101196289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]