[
  {
    "molid": "mol36135",
    "smiles": "O=C(O)CN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)n1",
        "std_free_energy": -15.594714164733887,
        "relative_population": 0.9946771839799691
      },
      {
        "id": "-2_9",
        "charge": -2,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)n1",
        "std_free_energy": -16.573583602905273,
        "relative_population": 0.9808441843136217
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]