[
  {
    "molid": "mol32017",
    "smiles": "Nc1ccc(CCOCCCCCCNCCc2ccc(O)c3nc(O)sc23)cc1",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "Nc1ccc(CCOCCCCCC[NH2+]CCc2ccc([O-])c3nc(O)sc23)cc1",
        "std_free_energy": -4.9011311531066895,
        "relative_population": 0.2565665083553245
      },
      {
        "id": "0_7",
        "charge": 0,
        "smiles": "Nc1ccc(CCOCCCCCC[NH2+]CCc2ccc(O)c3nc([O-])sc23)cc1",
        "std_free_energy": -5.952156066894531,
        "relative_population": 0.7339293984731783
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(CCOCCCCCC[NH2+]CCc2ccc(O)c3nc(O)sc23)cc1",
        "std_free_energy": -7.556881904602051,
        "relative_population": 0.9331270307058676
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]