[
  {
    "molid": "mol38590",
    "smiles": "NS(=O)(=O)NC(=O)Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NS(=O)(=O)NC(=O)Cc1ccccc1",
        "std_free_energy": -5.667502403259277,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NS(=O)(=O)[N-]C(=O)Cc1ccccc1",
        "std_free_energy": -9.553605079650879,
        "relative_population": 0.9992999964903183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.42000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]