[
  {
    "molid": "mol35989",
    "smiles": "O=C(O)C1CCCN1Cc1cccc(CN2CCCC2C(=O)O)n1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CCCN1Cc1cccc(C[NH+]2CCC[C@H]2C(=O)[O-])n1",
        "std_free_energy": -13.067091941833496,
        "relative_population": 0.9843161208654718
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]1CCCN1Cc1cccc(CN2CCC[C@H]2C(=O)[O-])n1",
        "std_free_energy": -5.124712944030762,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]