[
  {
    "molid": "mol37376",
    "smiles": "Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O",
        "std_free_energy": 0.6702531576156616,
        "relative_population": 0.32239389984037214
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "[O-]c1c(O)c(CN2CCOCC2)cc(CN2CCOCC2)c1O",
        "std_free_energy": -0.05610311031341553,
        "relative_population": 0.6665601327916164
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(CN2CCOCC2)cc(C[NH+]2CCOCC2)c([O-])c1[O-]",
        "std_free_energy": 7.695500373840332,
        "relative_population": 0.9638194498404301
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5900001525879,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]