[
  {
    "molid": "mol33774",
    "smiles": "CNCCN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNCCN(C)C",
        "std_free_energy": -0.8250507116317749,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNCC[NH+](C)C",
        "std_free_energy": -7.2950873374938965,
        "relative_population": 0.2165185262727195
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]CCN(C)C",
        "std_free_energy": -8.581158638000488,
        "relative_population": 0.7834814737272805
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.43000030517578,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]