[
  {
    "molid": "mol934",
    "smiles": "C/C(=N\\O)C(C)(C)CCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)C(C)(C)CCCN",
        "std_free_energy": -2.034959077835083,
        "relative_population": 0.48657442068373513
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\[O-])C(C)(C)CCC[NH3+]",
        "std_free_energy": -2.088674306869507,
        "relative_population": 0.513425579316265
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N\\O)C(C)(C)CCC[NH3+]",
        "std_free_energy": -9.814738273620605,
        "relative_population": 0.9956993646346384
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]