[
  {
    "molid": "mol37914",
    "smiles": "COC(=O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1[O-]",
        "std_free_energy": 13.349175453186035,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1O)Cc1ccccc1[O-]",
        "std_free_energy": 1.7246558666229248,
        "relative_population": 0.4579479583987142
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COC(=O)CN(CCN(CC(=O)[O-])Cc1ccccc1[O-])Cc1ccccc1O",
        "std_free_energy": 1.6608901023864746,
        "relative_population": 0.48810049349423434
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0500001907349,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]