[
  {
    "molid": "mol35527",
    "smiles": "Nc1ccc(S(=O)(=O)c2ccccc2)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(S(=O)(=O)c2ccccc2)c(C(=O)O)c1",
        "std_free_energy": -3.5933074951171875,
        "relative_population": 0.9453797858200682
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1",
        "std_free_energy": -0.7421247959136963,
        "relative_population": 0.05462021417993175
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1",
        "std_free_energy": -11.06582260131836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]