[
  {
    "molid": "mol2895",
    "smiles": "Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1",
        "std_free_energy": -4.591490745544434,
        "relative_population": 0.9983841635479336
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1",
        "std_free_energy": -10.121278762817383,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]