[
  {
    "molid": "mol36126",
    "smiles": "O=C(O)CN(CC(=O)O)CC(CN(CC(=O)O)CC(=O)O)(CN(CC(=O)O)CC(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "-6_1",
        "charge": -6,
        "smiles": "O=C([O-])CN(CC(=O)[O-])CC(CN(CC(=O)[O-])CC(=O)[O-])(CN(CC(=O)[O-])CC(=O)[O-])c1ccccc1",
        "std_free_energy": -5.016374588012695,
        "relative_population": 1.0
      },
      {
        "id": "-5_1",
        "charge": -5,
        "smiles": "O=C([O-])CN(CC(=O)[O-])CC(CN(CC(=O)[O-])CC(=O)[O-])(C[NH+](CC(=O)[O-])CC(=O)[O-])c1ccccc1",
        "std_free_energy": -14.524093627929688,
        "relative_population": 0.9998358615043698
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1700000762939,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      }
    ]
  }
]