[
  {
    "molid": "mol16283",
    "smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1",
        "std_free_energy": -3.9143970012664795,
        "relative_population": 0.9991458635190571
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1",
        "std_free_energy": -5.957973957061768,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]