[
  {
    "molid": "mol360",
    "smiles": "O=C(O)CSCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)CSCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1",
        "std_free_energy": -3.7568345069885254,
        "relative_population": 0.9984328914654474
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CSCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1",
        "std_free_energy": -10.730352401733398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]