[
  {
    "molid": "mol24944",
    "smiles": "O=C(O)CSC(=N\\Nc1ccccc1)/N=N/c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CSC(=N\\Nc1ccccc1)/N=N/c1ccccc1",
        "std_free_energy": -9.98354434967041,
        "relative_population": 0.9994223442034642
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CSC(=N\\[N-]c1ccccc1)/N=N/c1ccccc1",
        "std_free_energy": -2.825253486633301,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.48,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]