[
  {
    "molid": "mol34414",
    "smiles": "O=C(O)c1cccnc1S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cccnc1S",
        "std_free_energy": -5.24399471282959,
        "relative_population": 0.9999473403922922
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cccnc1S",
        "std_free_energy": -10.292732238769531,
        "relative_population": 0.9987621486333887
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.67000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]