[
  {
    "molid": "mol27553",
    "smiles": "OCCSC(=S)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "OCCSC(=S)Nc1ccccc1",
        "std_free_energy": -6.213629245758057,
        "relative_population": 0.9999999966380272
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "OCCSC(=S)[N-]c1ccccc1",
        "std_free_energy": 0.9685428142547607,
        "relative_population": 0.9993705535797676
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]