[
  {
    "molid": "mol8853",
    "smiles": "NNCCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNCCO",
        "std_free_energy": -4.326357841491699,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]NCCO",
        "std_free_energy": -5.504723072052002,
        "relative_population": 0.4453600350978735
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]CCO",
        "std_free_energy": -5.724159240722656,
        "relative_population": 0.5546399649021265
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.1199999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.11999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]