[
  {
    "molid": "mol16389",
    "smiles": "Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Cl)cc1N(C)C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12",
        "std_free_energy": -6.7632880210876465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(Cl)cc1N(C)C(=[OH+])c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12",
        "std_free_energy": 7.730363368988037,
        "relative_population": 0.9928875576219908
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.07,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]