[
  {
    "molid": "mol38142",
    "smiles": "C(=C/c1c2ccccc2nc2ccccc12)\\c1ccc(N2CCOCCOCCOCCOCCOCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C(=C/c1c2ccccc2nc2ccccc12)\\c1ccc(N2CCOCCOCCOCCOCCOCC2)cc1",
        "std_free_energy": -5.2428789138793945,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C(=C/c1c2ccccc2[nH+]c2ccccc12)\\c1ccc(N2CCOCCOCCOCCOCCOCC2)cc1",
        "std_free_energy": -3.048781394958496,
        "relative_population": 0.6839110778317247
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C(=C/c1c2ccccc2nc2ccccc12)\\c1ccc([NH+]2CCOCCOCCOCCOCCOCC2)cc1",
        "std_free_energy": -2.276977062225342,
        "relative_population": 0.3160889221682753
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.05000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]