[
  {
    "molid": "mol34593",
    "smiles": "c1ccc(CN2CCCNCCNCCCNCC2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CN2CCCNCCNCCCNCC2)nc1",
        "std_free_energy": 1.6524728536605835,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(CN2CCCNCCNCCC[NH2+]CC2)nc1",
        "std_free_energy": -7.863651275634766,
        "relative_population": 0.16023110182229855
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(CN2CCCNCC[NH2+]CCCNCC2)nc1",
        "std_free_energy": -8.775128364562988,
        "relative_population": 0.39865414976090197
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "c1ccc(C[NH+]2CCCNCCNCCCNCC2)nc1",
        "std_free_energy": -7.469931602478027,
        "relative_population": 0.1080827877100868
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "c1ccc(CN2CCC[NH2+]CCNCCCNCC2)nc1",
        "std_free_energy": -8.571436882019043,
        "relative_population": 0.32518776887628736
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3100004196167,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]