[
  {
    "molid": "mol34589",
    "smiles": "c1ccc(N2CCNCCNCCNCC2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(N2CCNCCNCCNCC2)nc1",
        "std_free_energy": -1.107784628868103,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N2CCNCC[NH2+]CCNCC2)nc1",
        "std_free_energy": -8.724600791931152,
        "relative_population": 0.4791141434862383
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc([NH+]2CCNCCNCCNCC2)nc1",
        "std_free_energy": -7.012993812561035,
        "relative_population": 0.08651621776972164
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "c1ccc(N2CCNCCNCC[NH2+]CC2)nc1",
        "std_free_energy": -8.548665046691895,
        "relative_population": 0.4018195547885799
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9899997711182,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]