[
  {
    "molid": "mol34578",
    "smiles": "c1cc2cc(c1)CNCCCNCCCNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2cc(c1)CNCCCNCCCNC2",
        "std_free_energy": 1.3305381536483765,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2cc(c1)C[NH2+]CCCNCCCNC2",
        "std_free_energy": -7.217062950134277,
        "relative_population": 0.3596862977100715
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCCC[NH2+]CCCNC2",
        "std_free_energy": -7.793788909912109,
        "relative_population": 0.6403137022899285
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0900001525879,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]