[
  {
    "molid": "mol15214",
    "smiles": "Cc1cc(S(=O)(=O)Nc2nccs2)ccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(S(=O)(=O)Nc2nccs2)ccc1N",
        "std_free_energy": -6.893738746643066,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1N",
        "std_free_energy": -5.057664394378662,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]