[
  {
    "molid": "mol37375",
    "smiles": "Oc1c(CN2CCCCCC2)ccc(CN2CCCCCC2)c1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1c(CN2CCCCCC2)ccc(C[NH+]2CCCCCC2)c1O",
        "std_free_energy": -8.901321411132812,
        "relative_population": 0.8963125001768016
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[O-]c1c(C[NH+]2CCCCCC2)ccc(C[NH+]2CCCCCC2)c1O",
        "std_free_energy": -6.74441385269165,
        "relative_population": 0.10368749982319832
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Oc1c(C[NH+]2CCCCCC2)ccc(C[NH+]2CCCCCC2)c1O",
        "std_free_energy": -8.982620239257812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.34000015258789,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]