[
  {
    "molid": "mol28760",
    "smiles": "COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(C)c1",
        "std_free_energy": -5.932405471801758,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1",
        "std_free_energy": -9.891820907592773,
        "relative_population": 0.9999789714952612
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]