[
  {
    "molid": "mol38276",
    "smiles": "C(CNCCNCCc1nnn[nH]1)NCCNCCc1nnn[nH]1",
    "microspecies": [
      {
        "id": "2_6",
        "charge": 2,
        "smiles": "C(C[NH2+]CCNCCc1nnn[nH]1)NCC[NH2+]CCc1nnn[nH]1",
        "std_free_energy": -4.915497303009033,
        "relative_population": 0.8328183033662258
      },
      {
        "id": "2_19",
        "charge": 2,
        "smiles": "C(CNCC[NH2+]CCc1nnn[nH]1)NCC[NH2+]CCc1nnn[nH]1",
        "std_free_energy": -2.1285529136657715,
        "relative_population": 0.0513092529763529
      },
      {
        "id": "2_22",
        "charge": 2,
        "smiles": "C(C[NH2+]CC[NH2+]CCNCCc1nnn[nH]1)NCCc1nnn[nH]1",
        "std_free_energy": -2.6804604530334473,
        "relative_population": 0.08910172060108361
      },
      {
        "id": "3_30",
        "charge": 3,
        "smiles": "C(C[NH2+]CC[NH2+]CC[NH2+]CCc1nnn[nH]1)NCCc1nnn[nH]1",
        "std_free_energy": -0.029577314853668213,
        "relative_population": 0.9997272296296444
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92000007629395,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]