[
  {
    "molid": "mol34803",
    "smiles": "CC(NC(=S)Nc1cccnc1)C(C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](NC(=S)Nc1cccnc1)C(C)(C)C",
        "std_free_energy": -7.025285243988037,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](NC(=S)Nc1ccc[nH+]c1)C(C)(C)C",
        "std_free_energy": -1.2647768259048462,
        "relative_population": 0.98638686770233
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.97000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]