[
  {
    "molid": "mol34766",
    "smiles": "CC(CCN1CCOCC1)n1nc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CCN1CCOCC1)n1nc2ccccc2n1",
        "std_free_energy": -5.816553115844727,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H](CC[NH+]1CCOCC1)n1nc2ccccc2n1",
        "std_free_energy": -6.47776460647583,
        "relative_population": 0.9854754612438035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]