[
  {
    "molid": "mol34596",
    "smiles": "c1cc2cc(c1)CNCCNCCNCCNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cc2cc(c1)CNCCNCCNCCNC2",
        "std_free_energy": -1.3213460445404053,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cc2cc(c1)C[NH2+]CCNCCNCCNC2",
        "std_free_energy": -7.763020992279053,
        "relative_population": 0.40371641453369456
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cc2cc(c1)CNCC[NH2+]CCNCCNC2",
        "std_free_energy": -8.153024673461914,
        "relative_population": 0.5962835854663053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32999992370606,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]