[
  {
    "molid": "mol35634",
    "smiles": "CCN(CC)CCCCN(CCCl)CCCl",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCCCN(CCCl)CCCl",
        "std_free_energy": -9.956904411315918,
        "relative_population": 0.9892337508072597
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC[NH+](CC)CCCC[NH+](CCCl)CCCl",
        "std_free_energy": -10.14111328125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.30000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]