[
  {
    "molid": "mol38126",
    "smiles": "OC(CNCCc1ccccc1)CON=C(C1CC1)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H](CNCCc1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -3.134380340576172,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O[C@H](C[NH2+]CCc1ccccc1)CON=C(C1CC1)C1CC1",
        "std_free_energy": -8.332274436950684,
        "relative_population": 0.9498550223395188
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]