[
  {
    "molid": "mol34656",
    "smiles": "c1cc2nc(c1)COCCOCCOCCOCCOCCOC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2nc(c1)COCCOCCOCCOCCOCCOC2",
        "std_free_energy": -6.5193586349487305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2[nH+]c(c1)COCCOCCOCCOCCOCCOC2",
        "std_free_energy": 0.45594215393066406,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]