[
  {
    "molid": "mol35526",
    "smiles": "Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)c1",
        "std_free_energy": -3.1838250160217285,
        "relative_population": 0.9411535522426454
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1",
        "std_free_energy": -0.4116501808166504,
        "relative_population": 0.05884644775735459
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1",
        "std_free_energy": -10.966591835021973,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.22000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]