[
  {
    "molid": "mol37999",
    "smiles": "Cc1cc(N2CCOCCOCCOCCOCC2)ccc1-c1c2ccccc2[n+](C)c2ccccc12",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N2CCOCCOCCOCCOCC2)ccc1-c1c2ccccc2[n+](C)c2ccccc12",
        "std_free_energy": -6.231778144836426,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc([NH+]2CCOCCOCCOCCOCC2)ccc1-c1c2ccccc2[n+](C)c2ccccc12",
        "std_free_energy": 3.8545947074890137,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.1800000667572,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]