[
  {
    "molid": "mol34810",
    "smiles": "CC(NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1",
        "std_free_energy": -7.006792068481445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](NS(=O)(=O)c1ccccc1)c1[nH]c2ccccc2[nH+]1",
        "std_free_energy": -3.2357470989227295,
        "relative_population": 0.9799684799099045
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.78000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]