[
  {
    "molid": "mol6062",
    "smiles": "c1ccc(NN2CCOCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(NN2CCOCC2)cc1",
        "std_free_energy": -6.741896152496338,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(N[NH+]2CCOCC2)cc1",
        "std_free_energy": -4.821155548095703,
        "relative_population": 0.959236705273724
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]