[
  {
    "molid": "mol38520",
    "smiles": "CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O",
        "std_free_energy": -6.371090412139893,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCn1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nc1=O",
        "std_free_energy": -5.499631404876709,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]