[
  {
    "molid": "mol35062",
    "smiles": "CC(C)C(C(=O)O)N(C)Cc1cccc(CN(C)C(C(=O)O)C(C)C)n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC(C)[C@@H](C(=O)[O-])[NH+](C)Cc1cccc(C[NH+](C)[C@@H](C(=O)[O-])C(C)C)n1",
        "std_free_energy": -14.528341293334961,
        "relative_population": 0.9837406045002215
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)[C@@H](C(=O)[O-])[NH+](C)Cc1cccc(CN(C)[C@@H](C(=O)[O-])C(C)C)n1",
        "std_free_energy": -13.3109130859375,
        "relative_population": 0.9830891909880318
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]