[
  {
    "molid": "mol11926",
    "smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1",
        "std_free_energy": -7.151389122009277,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1",
        "std_free_energy": -0.7918125987052917,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]