[
  {
    "molid": "mol33859",
    "smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(CO)nc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(CO)nc21",
        "std_free_energy": -6.081029415130615,
        "relative_population": 0.9751806015395502
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCn1cc(C(=O)[O-])c(=O)c2ccc(CO)nc21",
        "std_free_energy": -6.8358612060546875,
        "relative_population": 0.9996855445840465
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]