[
  {
    "molid": "mol34592",
    "smiles": "c1ccc(CN2CCCNCCNCCCNCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CN2CCCNCCNCCCNCC2)cc1",
        "std_free_energy": 0.6550105810165405,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(CN2CCC[NH2+]CCNCCCNCC2)cc1",
        "std_free_energy": -7.918466567993164,
        "relative_population": 0.22931485759382075
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(CN2CCCNCCNCCC[NH2+]CC2)cc1",
        "std_free_energy": -7.555418014526367,
        "relative_population": 0.1595005594489119
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc(C[NH+]2CCCNCCNCCCNCC2)cc1",
        "std_free_energy": -7.912961006164551,
        "relative_population": 0.22805581950338985
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "c1ccc(CN2CCCNCC[NH2+]CCCNCC2)cc1",
        "std_free_energy": -8.431741714477539,
        "relative_population": 0.3831287634538776
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]