[
  {
    "molid": "mol34650",
    "smiles": "c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2nc(c1)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2",
        "std_free_energy": -6.009411334991455,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2[nH+]c(c1)COCCOCCOCCOCCOCCOCCOCCOCCOCCOC2",
        "std_free_energy": 0.4162208139896393,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.35999989509583,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]