[
  {
    "molid": "mol33761",
    "smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1cc2ccccc2c(OCCN(C)C)n1",
        "std_free_energy": -3.791344165802002,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCc1cc2ccccc2c(OCC[NH+](C)C)n1",
        "std_free_energy": -8.313828468322754,
        "relative_population": 0.9697410618524994
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]