[
  {
    "molid": "mol33934",
    "smiles": "Oc1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O",
        "std_free_energy": -6.267310619354248,
        "relative_population": 0.833810105302096
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1c(C[NH+]2CCOCC2)ccc(CN2CCOCC2)c1O",
        "std_free_energy": -4.069644927978516,
        "relative_population": 0.09260470900760925
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "[O-]c1c(CN2CCOCC2)ccc(C[NH+]2CCOCC2)c1O",
        "std_free_energy": -3.839726686477661,
        "relative_population": 0.07358356889281695
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(CN2CCOCC2)ccc(CN2CCOCC2)c1O",
        "std_free_energy": 0.6976048350334167,
        "relative_population": 0.9996398443220693
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]