[
  {
    "molid": "mol363",
    "smiles": "O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1",
        "std_free_energy": -3.734644651412964,
        "relative_population": 0.9976698565586618
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1",
        "std_free_energy": -10.24921989440918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]