[
  {
    "molid": "mol36223",
    "smiles": "CC(Cc1ccccc1)=NNC(=O)CN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(Cc1ccccc1)=NNC(=O)CN(C)C",
        "std_free_energy": -5.561286449432373,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(Cc1ccccc1)=NNC(=O)C[NH+](C)C",
        "std_free_energy": -7.392989158630371,
        "relative_population": 0.9972496360419985
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]