[
  {
    "molid": "mol25529",
    "smiles": "Cc1ccc(-c2nc(CCN)cs2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2nc(CCN)cs2)cc1",
        "std_free_energy": -2.2591137886047363,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2nc(CC[NH3+])cs2)cc1",
        "std_free_energy": -8.773200988769531,
        "relative_population": 0.965087476120184
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]