[
  {
    "molid": "mol38236",
    "smiles": "OB(O)c1ccccc1CNCc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]B(O)c1ccccc1C[NH2+]Cc1ccccc1",
        "std_free_energy": -10.230314254760742,
        "relative_population": 0.9998762581961791
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OB(O)c1ccccc1C[NH2+]Cc1ccccc1",
        "std_free_energy": -2.6318612098693848,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]