[
  {
    "molid": "mol32015",
    "smiles": "CN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc([O-])sc12",
        "std_free_energy": -5.725513458251953,
        "relative_population": 0.7335106470425004
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "C[NH+](CCCOCCOCCc1ccccc1)CCc1ccc([O-])c2nc(O)sc12",
        "std_free_energy": -4.595829010009766,
        "relative_population": 0.2370231141955596
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(CCCOCCOCCc1ccccc1)CCc1ccc(O)c2[nH+]c(O)sc12",
        "std_free_energy": -3.360520362854004,
        "relative_population": 0.05474623622293285
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](CCCOCCOCCc1ccccc1)CCc1ccc(O)c2nc(O)sc12",
        "std_free_energy": -6.195797920227051,
        "relative_population": 0.9326091344381383
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]