[
  {
    "molid": "mol28606",
    "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2)c1",
        "std_free_energy": -6.846395492553711,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc(S(=O)(=O)[N-]Cc2ccccc2)c1",
        "std_free_energy": 1.2602554559707642,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]